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 3fof_1_A DATA FIRST_RESID 5 DATA SEQUENCE QNMSLEDIMG ERFGRYSKYI IQDRALPDIR DGLKPVQRRI LYSMNKDSNX DATA SEQUENCE XDKSYRKSAK SVGNIMGNFH PHGDSSIYDA MVRMSQNWKN REILVEMHGN DATA SEQUENCE NGSMDGDPPA AMRYTEARLS EIAGYLLQDI EKKTVPFAWN FDDTEKEPTV DATA SEQUENCE LPAAFPNLLV NXXXXXXXXX XTDIPPHNLA EVIDAAVYMI DHPTAKIDKL DATA SEQUENCE MEFLPGPDFP TGAIIQGRDE IKKAYETGXG RVVVRSKTEI EKLKGGKEQI DATA SEQUENCE VITXXXXEIN KANLVKKIDD VRVNNKVXXX XXXXXXXXXX XXXXXIELXX DATA SEQUENCE XXXTELVLNY LFKYTDLQIN YNFNMVAIDN FTPRQVGIVP ILSSYIAHRR DATA SEQUENCE EVILARSRFD KEKAEKRLHI VEGLIRVISI LDEVIALIRA SENKADAKEN DATA SEQUENCE LKVSYDFTEE QAEAIVTLQL YRLTNTDVVV LQEEEAELRE KIAMLAAIIG DATA SEQUENCE DERTMYNLMK KELREVKKKF ATPRL 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 5 Q HA 0.000 nan 4.340 nan 0.000 0.214 5 Q C 0.000 175.999 176.000 -0.002 0.000 1.003 5 Q CA 0.000 55.801 55.803 -0.003 0.000 1.022 5 Q CB 0.000 28.736 28.738 -0.003 0.000 1.108 6 N N 0.374 119.073 118.700 -0.002 0.000 2.626 6 N HA 0.526 5.267 4.740 0.001 0.000 0.226 6 N C 1.128 176.637 175.510 -0.001 0.000 1.376 6 N CA 1.333 54.382 53.050 -0.002 0.000 0.894 6 N CB -0.889 37.597 38.487 -0.001 0.000 1.218 6 N HN 1.890 nan 8.380 nan 0.000 0.492 7 M N -0.965 118.634 119.600 -0.001 0.000 1.712 7 M HA 0.681 5.162 4.480 0.001 0.000 0.155 7 M C 1.780 178.080 176.300 -0.000 0.000 1.239 7 M CA 0.340 55.639 55.300 -0.001 0.000 0.705 7 M CB -1.733 30.866 32.600 -0.002 0.000 1.049 7 M HN 2.185 nan 8.290 nan 0.000 0.336 8 S N -1.900 113.799 115.700 -0.001 0.000 3.625 8 S HA 0.447 4.918 4.470 0.001 0.000 0.426 8 S C -0.037 174.564 174.600 0.002 0.000 0.884 8 S CA 0.999 59.200 58.200 0.000 0.000 1.322 8 S CB -2.832 60.369 63.200 0.001 0.000 0.905 8 S HN 2.753 nan 8.310 nan 0.000 0.586 9 L N -0.646 120.578 121.223 0.001 0.000 2.417 9 L HA 0.982 5.322 4.340 0.001 0.000 0.268 9 L C 0.523 177.395 176.870 0.004 0.000 1.158 9 L CA 0.648 55.490 54.840 0.003 0.000 0.819 9 L CB 0.303 42.363 42.059 0.001 0.000 1.112 9 L HN 2.085 nan 8.230 nan 0.000 0.458 10 E N 0.717 120.921 120.200 0.007 0.000 2.413 10 E HA 0.603 4.954 4.350 0.001 0.000 0.277 10 E C -0.277 176.332 176.600 0.015 0.000 0.958 10 E CA -0.099 56.306 56.400 0.010 0.000 0.779 10 E CB 0.536 30.245 29.700 0.016 0.000 1.278 10 E HN 2.005 nan 8.360 nan 0.000 0.456 11 D N -0.406 120.001 120.400 0.013 0.000 2.348 11 D HA 0.527 5.167 4.640 0.001 0.000 0.253 11 D C 1.381 177.715 176.300 0.057 0.000 1.161 11 D CA 0.243 54.255 54.000 0.020 0.000 0.876 11 D CB 0.691 41.487 40.800 -0.007 0.000 1.160 11 D HN 1.592 nan 8.370 nan 0.000 0.459 12 I N 0.310 120.918 120.570 0.065 0.000 2.567 12 I HA 0.123 4.293 4.170 0.001 0.000 0.257 12 I C 2.985 179.214 176.117 0.186 0.000 1.184 12 I CA 2.862 64.219 61.300 0.095 0.000 1.451 12 I CB -1.762 36.276 38.000 0.063 0.000 1.089 12 I HN 0.946 nan 8.210 nan 0.000 0.441 13 M N 0.391 120.097 119.600 0.176 0.000 2.374 13 M HA 0.239 4.720 4.480 0.001 0.000 0.264 13 M C 2.429 178.814 176.300 0.142 0.000 1.067 13 M CA 2.278 57.728 55.300 0.250 0.000 1.103 13 M CB -2.150 30.454 32.600 0.007 0.000 1.402 13 M HN 0.755 nan 8.290 nan 0.000 0.444 14 G N -0.381 108.479 108.800 0.101 0.000 2.508 14 G HA2 0.193 4.154 3.960 0.001 0.000 0.212 14 G HA3 0.193 4.154 3.960 0.001 0.000 0.212 14 G C 1.520 176.529 174.900 0.182 0.000 1.206 14 G CA 1.586 46.727 45.100 0.067 0.000 0.822 14 G HN 0.706 nan 8.290 nan 0.000 0.550 15 E N 0.323 120.608 120.200 0.142 0.000 2.152 15 E HA 0.007 4.358 4.350 0.001 0.000 0.192 15 E C 2.440 179.122 176.600 0.136 0.000 0.983 15 E CA 1.781 58.250 56.400 0.115 0.000 0.818 15 E CB -0.805 28.938 29.700 0.071 0.000 0.758 15 E HN 0.583 nan 8.360 nan 0.000 0.467 16 R N -0.612 119.979 120.500 0.152 0.000 2.299 16 R HA 0.336 4.676 4.340 0.001 0.000 0.197 16 R C 1.905 178.213 176.300 0.012 0.000 0.971 16 R CA 1.006 57.147 56.100 0.069 0.000 1.030 16 R CB -1.052 29.242 30.300 -0.010 0.000 0.932 16 R HN 0.516 nan 8.270 nan 0.000 0.477 17 F N -0.659 119.314 119.950 0.038 0.000 2.387 17 F HA 0.234 4.761 4.527 0.001 0.000 0.294 17 F C 2.637 178.492 175.800 0.092 0.000 1.093 17 F CA 1.080 59.109 58.000 0.048 0.000 1.420 17 F CB -0.006 39.007 39.000 0.021 0.000 1.086 17 F HN 0.308 nan 8.300 nan 0.000 0.531 18 G N -0.304 108.644 108.800 0.248 0.000 2.441 18 G HA2 -0.065 3.896 3.960 0.001 0.000 0.212 18 G HA3 -0.065 3.896 3.960 0.001 0.000 0.212 18 G C 1.831 176.813 174.900 0.136 0.000 1.164 18 G CA 0.073 45.273 45.100 0.167 0.000 0.811 18 G HN -0.020 nan 8.290 nan 0.000 0.535 19 R N 0.168 120.744 120.500 0.126 0.000 2.070 19 R HA -0.063 4.278 4.340 0.001 0.000 0.232 19 R C 2.196 178.572 176.300 0.127 0.000 1.138 19 R CA 1.127 57.285 56.100 0.096 0.000 0.936 19 R CB -1.600 28.739 30.300 0.065 0.000 0.839 19 R HN 0.500 nan 8.270 nan 0.000 0.429 20 Y N 2.031 122.349 120.300 0.030 0.000 2.365 20 Y HA -0.271 4.280 4.550 0.001 0.000 0.287 20 Y C 2.556 178.512 175.900 0.093 0.000 1.162 20 Y CA 1.730 59.860 58.100 0.051 0.000 1.260 20 Y CB -0.255 38.192 38.460 -0.022 0.000 0.976 20 Y HN 0.298 nan 8.280 nan 0.000 0.548 21 S N 0.647 116.492 115.700 0.241 0.000 2.335 21 S HA -0.184 4.287 4.470 0.001 0.000 0.217 21 S C 2.218 176.857 174.600 0.064 0.000 1.032 21 S CA 2.311 60.610 58.200 0.165 0.000 0.985 21 S CB -1.104 62.190 63.200 0.156 0.000 0.896 21 S HN 0.453 nan 8.310 nan 0.000 0.445 22 K N 0.260 120.700 120.400 0.066 0.000 2.071 22 K HA -0.235 4.086 4.320 0.001 0.000 0.217 22 K C 2.030 178.647 176.600 0.028 0.000 1.054 22 K CA 2.339 58.653 56.287 0.044 0.000 0.937 22 K CB -1.798 30.734 32.500 0.054 0.000 0.719 22 K HN 0.756 nan 8.250 nan 0.000 0.454 23 Y N 0.518 120.732 120.300 -0.142 0.000 2.439 23 Y HA 0.124 4.675 4.550 0.002 0.000 0.292 23 Y C 2.597 178.352 175.900 -0.240 0.000 1.130 23 Y CA 1.283 59.264 58.100 -0.198 0.000 1.254 23 Y CB -0.256 38.041 38.460 -0.272 0.000 1.000 23 Y HN 0.275 nan 8.280 nan 0.000 0.554 24 I N 0.183 120.588 120.570 -0.274 0.000 2.716 24 I HA -0.033 4.138 4.170 0.001 0.000 0.259 24 I C 2.083 178.093 176.117 -0.179 0.000 1.172 24 I CA 1.449 62.575 61.300 -0.292 0.000 1.478 24 I CB -1.370 36.538 38.000 -0.153 0.000 1.104 24 I HN 0.388 nan 8.210 nan 0.000 0.439 25 I N -0.981 119.522 120.570 -0.111 0.000 3.111 25 I HA 0.136 4.307 4.170 0.001 0.000 0.272 25 I C 2.128 178.186 176.117 -0.099 0.000 1.268 25 I CA 1.202 62.459 61.300 -0.071 0.000 1.467 25 I CB -0.982 37.002 38.000 -0.027 0.000 1.087 25 I HN 0.403 nan 8.210 nan 0.000 0.467 26 Q N 1.066 120.765 119.800 -0.169 0.000 2.291 26 Q HA 0.033 4.373 4.340 0.001 0.000 0.211 26 Q C 0.593 176.430 176.000 -0.272 0.000 0.925 26 Q CA 0.934 56.618 55.803 -0.200 0.000 0.949 26 Q CB -0.869 27.739 28.738 -0.218 0.000 1.015 26 Q HN 0.631 nan 8.270 nan 0.000 0.477 27 D N -1.216 119.048 120.400 -0.228 0.000 2.623 27 D HA 0.187 4.827 4.640 0.001 0.000 0.252 27 D C 0.823 177.065 176.300 -0.096 0.000 1.294 27 D CA -0.089 53.801 54.000 -0.183 0.000 0.824 27 D CB 0.356 41.031 40.800 -0.208 0.000 1.070 27 D HN 0.505 nan 8.370 nan 0.000 0.487 28 R N -0.120 120.338 120.500 -0.070 0.000 2.427 28 R HA 0.374 4.715 4.340 0.001 0.000 0.262 28 R C 0.754 177.040 176.300 -0.024 0.000 0.943 28 R CA -0.130 55.953 56.100 -0.028 0.000 1.081 28 R CB 0.742 31.044 30.300 0.003 0.000 1.166 28 R HN -0.046 nan 8.270 nan 0.000 0.534 29 A N 1.700 124.490 122.820 -0.049 0.000 3.029 29 A HA 0.429 4.750 4.320 0.001 0.000 0.251 29 A C 0.154 177.715 177.584 -0.038 0.000 1.749 29 A CA 0.146 52.160 52.037 -0.039 0.000 1.386 29 A CB -0.798 18.166 19.000 -0.061 0.000 1.043 29 A HN 0.260 nan 8.150 nan 0.000 0.638 30 L N -0.540 120.668 121.223 -0.025 0.000 2.422 30 L HA 0.833 5.174 4.340 0.001 0.000 0.264 30 L C -2.799 174.065 176.870 -0.010 0.000 0.984 30 L CA -2.460 52.367 54.840 -0.021 0.000 0.819 30 L CB 0.835 42.879 42.059 -0.025 0.000 1.330 30 L HN 0.237 nan 8.230 nan 0.000 0.410 31 P HA 0.289 nan 4.420 nan 0.000 0.261 31 P C 0.074 177.372 177.300 -0.003 0.000 1.158 31 P CA 1.301 64.398 63.100 -0.005 0.000 0.758 31 P CB -0.024 31.673 31.700 -0.005 0.000 0.763 32 D N 0.767 121.166 120.400 -0.002 0.000 2.283 32 D HA 0.425 5.066 4.640 0.001 0.000 0.248 32 D C 1.642 177.940 176.300 -0.003 0.000 1.072 32 D CA 0.018 54.014 54.000 -0.008 0.000 0.929 32 D CB 0.215 41.006 40.800 -0.015 0.000 1.182 32 D HN 0.336 nan 8.370 nan 0.000 0.433 33 I N -0.411 120.153 120.570 -0.010 0.000 3.241 33 I HA 0.070 4.241 4.170 0.001 0.000 0.280 33 I C 2.078 178.216 176.117 0.035 0.000 1.320 33 I CA 1.495 62.799 61.300 0.007 0.000 1.413 33 I CB -1.389 36.606 38.000 -0.008 0.000 1.060 33 I HN 0.608 nan 8.210 nan 0.000 0.500 34 R N -0.091 120.414 120.500 0.008 0.000 2.006 34 R HA 0.234 4.575 4.340 0.001 0.000 0.181 34 R C 2.447 178.745 176.300 -0.002 0.000 1.617 34 R CA 1.141 57.233 56.100 -0.014 0.000 1.276 34 R CB -1.004 29.233 30.300 -0.105 0.000 1.107 34 R HN 0.490 nan 8.270 nan 0.000 0.474 35 D N 0.143 120.523 120.400 -0.034 0.000 2.123 35 D HA -0.052 4.589 4.640 0.001 0.000 0.196 35 D C 1.395 177.709 176.300 0.024 0.000 0.992 35 D CA 1.486 55.477 54.000 -0.014 0.000 0.833 35 D CB -0.914 39.872 40.800 -0.023 0.000 0.954 35 D HN 0.480 nan 8.370 nan 0.000 0.455 36 G N -2.329 106.484 108.800 0.020 0.000 2.225 36 G HA2 0.279 4.240 3.960 0.001 0.000 0.267 36 G HA3 0.279 4.240 3.960 0.001 0.000 0.267 36 G C 0.471 175.374 174.900 0.005 0.000 1.024 36 G CA 0.876 45.987 45.100 0.018 0.000 0.784 36 G HN 1.736 nan 8.290 nan 0.000 0.507 37 L N -1.443 119.780 121.223 -0.000 0.000 2.287 37 L HA 1.029 5.370 4.340 0.001 0.000 0.287 37 L C 0.501 177.368 176.870 -0.005 0.000 1.022 37 L CA -0.211 54.626 54.840 -0.006 0.000 0.814 37 L CB 0.490 42.544 42.059 -0.008 0.000 1.217 37 L HN 1.250 nan 8.230 nan 0.000 0.420 38 K N 3.954 124.349 120.400 -0.009 0.000 2.276 38 K HA 0.615 4.936 4.320 0.001 0.000 0.285 38 K C -1.340 175.263 176.600 0.005 0.000 1.062 38 K CA -1.071 55.213 56.287 -0.005 0.000 0.918 38 K CB 0.005 32.498 32.500 -0.013 0.000 1.055 38 K HN 0.758 nan 8.250 nan 0.000 0.477 39 P HA -0.328 nan 4.420 nan 0.000 0.222 39 P C 1.714 179.052 177.300 0.063 0.000 1.159 39 P CA 2.268 65.401 63.100 0.055 0.000 0.920 39 P CB -0.117 31.632 31.700 0.082 0.000 0.793 40 V N -1.421 118.539 119.914 0.078 0.000 2.636 40 V HA -0.333 3.788 4.120 0.001 0.000 0.258 40 V C 2.475 178.504 176.094 -0.108 0.000 1.092 40 V CA 3.341 65.628 62.300 -0.021 0.000 1.110 40 V CB -1.981 29.853 31.823 0.018 0.000 0.685 40 V HN 0.271 nan 8.190 nan 0.000 0.481 41 Q N -0.783 118.988 119.800 -0.049 0.000 1.990 41 Q HA 0.001 4.342 4.340 0.001 0.000 0.195 41 Q C 2.631 178.608 176.000 -0.037 0.000 0.977 41 Q CA 3.156 58.928 55.803 -0.052 0.000 0.828 41 Q CB -1.153 27.561 28.738 -0.039 0.000 0.896 41 Q HN 1.021 nan 8.270 nan 0.000 0.447 42 R N 0.112 120.602 120.500 -0.016 0.000 2.190 42 R HA -0.287 4.053 4.340 0.001 0.000 0.255 42 R C 2.585 178.875 176.300 -0.017 0.000 1.143 42 R CA 4.145 60.240 56.100 -0.008 0.000 0.965 42 R CB -2.177 28.124 30.300 0.002 0.000 0.889 42 R HN 1.016 nan 8.270 nan 0.000 0.448 43 R N -0.550 119.938 120.500 -0.020 0.000 2.115 43 R HA 0.358 4.699 4.340 0.001 0.000 0.226 43 R C 2.869 179.119 176.300 -0.084 0.000 1.100 43 R CA 2.164 58.234 56.100 -0.051 0.000 0.980 43 R CB -1.519 28.829 30.300 0.080 0.000 0.875 43 R HN 1.175 nan 8.270 nan 0.000 0.445 44 I N 0.092 120.621 120.570 -0.068 0.000 2.761 44 I HA 0.413 4.584 4.170 0.001 0.000 0.261 44 I C 2.911 178.999 176.117 -0.049 0.000 1.198 44 I CA 1.667 62.931 61.300 -0.058 0.000 1.482 44 I CB -1.211 36.751 38.000 -0.064 0.000 1.100 44 I HN 0.565 nan 8.210 nan 0.000 0.445 45 L N -1.608 119.591 121.223 -0.041 0.000 2.313 45 L HA 0.065 4.406 4.340 0.001 0.000 0.214 45 L C 2.497 179.344 176.870 -0.038 0.000 1.119 45 L CA 2.062 56.879 54.840 -0.038 0.000 0.809 45 L CB -1.737 40.304 42.059 -0.030 0.000 0.933 45 L HN 0.762 nan 8.230 nan 0.000 0.449 46 Y N 0.248 120.436 120.300 -0.188 0.000 2.347 46 Y HA 0.191 4.742 4.550 0.001 0.000 0.294 46 Y C 2.806 178.535 175.900 -0.284 0.000 1.117 46 Y CA 1.233 59.190 58.100 -0.237 0.000 1.184 46 Y CB -0.155 38.115 38.460 -0.316 0.000 1.047 46 Y HN 0.318 nan 8.280 nan 0.000 0.546 47 S N 0.434 116.070 115.700 -0.107 0.000 2.453 47 S HA -0.110 4.360 4.470 0.001 0.000 0.231 47 S C 2.111 176.658 174.600 -0.087 0.000 1.005 47 S CA 1.956 60.082 58.200 -0.123 0.000 0.949 47 S CB -0.897 62.249 63.200 -0.090 0.000 0.774 47 S HN 0.491 nan 8.310 nan 0.000 0.510 48 M N 0.817 120.363 119.600 -0.090 0.000 2.419 48 M HA 0.120 4.600 4.480 0.001 0.000 0.264 48 M C 1.731 177.958 176.300 -0.122 0.000 1.082 48 M CA 1.558 56.813 55.300 -0.076 0.000 1.119 48 M CB -1.622 30.945 32.600 -0.056 0.000 1.398 48 M HN 0.721 nan 8.290 nan 0.000 0.453 49 N N 0.612 119.193 118.700 -0.199 0.000 2.093 49 N HA -0.136 4.604 4.740 0.001 0.000 0.186 49 N C 2.086 177.437 175.510 -0.265 0.000 1.080 49 N CA 1.962 54.854 53.050 -0.263 0.000 0.891 49 N CB -0.188 38.055 38.487 -0.407 0.000 1.050 49 N HN 0.439 nan 8.380 nan 0.000 0.444 50 K N -0.284 119.859 120.400 -0.429 0.000 2.378 50 K HA -0.307 4.014 4.320 0.001 0.000 0.206 50 K C 1.474 178.006 176.600 -0.112 0.000 1.020 50 K CA 2.949 59.074 56.287 -0.270 0.000 0.924 50 K CB -2.440 29.948 32.500 -0.187 0.000 0.847 50 K HN 0.788 nan 8.250 nan 0.000 0.499 51 D N -1.811 118.534 120.400 -0.092 0.000 2.339 51 D HA 0.511 5.152 4.640 0.001 0.000 0.217 51 D C 0.882 177.154 176.300 -0.046 0.000 1.050 51 D CA 1.247 55.223 54.000 -0.039 0.000 0.856 51 D CB -0.800 39.994 40.800 -0.010 0.000 0.922 51 D HN 1.887 nan 8.370 nan 0.000 0.518 52 S N -2.120 113.536 115.700 -0.073 0.000 3.734 52 S HA 0.348 4.819 4.470 0.001 0.000 0.531 52 S C 0.264 174.828 174.600 -0.060 0.000 0.757 52 S CA 1.150 59.311 58.200 -0.065 0.000 1.388 52 S CB -2.536 60.636 63.200 -0.045 0.000 0.878 52 S HN 1.824 nan 8.310 nan 0.000 0.735 57 K N 1.249 121.599 120.400 -0.083 0.000 2.731 57 K HA 0.808 5.129 4.320 0.001 0.000 0.284 57 K C 0.850 177.398 176.600 -0.086 0.000 1.027 57 K CA 0.387 56.636 56.287 -0.064 0.000 1.040 57 K CB -0.875 31.596 32.500 -0.048 0.000 1.334 57 K HN 0.234 nan 8.250 nan 0.000 0.498 58 S N -1.363 114.315 115.700 -0.037 0.000 2.634 58 S HA 0.552 5.023 4.470 0.001 0.000 0.261 58 S C -0.078 174.518 174.600 -0.007 0.000 1.271 58 S CA -0.290 57.917 58.200 0.013 0.000 0.985 58 S CB -0.144 63.094 63.200 0.064 0.000 0.968 58 S HN 0.449 nan 8.310 nan 0.000 0.568 59 Y N 1.306 121.614 120.300 0.014 0.000 2.531 59 Y HA 0.445 4.996 4.550 0.001 0.000 0.347 59 Y C 1.282 177.195 175.900 0.021 0.000 1.024 59 Y CA 0.029 58.141 58.100 0.019 0.000 1.306 59 Y CB -0.041 38.434 38.460 0.025 0.000 1.149 59 Y HN 0.811 nan 8.280 nan 0.000 0.527 60 R N 2.495 123.067 120.500 0.119 0.000 2.390 60 R HA 0.554 4.895 4.340 0.001 0.000 0.291 60 R C 0.761 177.122 176.300 0.101 0.000 1.070 60 R CA -0.163 55.989 56.100 0.085 0.000 1.014 60 R CB -0.341 29.986 30.300 0.045 0.000 1.007 60 R HN 0.813 nan 8.270 nan 0.000 0.466 61 K N 0.424 120.871 120.400 0.078 0.000 2.679 61 K HA 0.240 4.561 4.320 0.001 0.000 0.316 61 K C 1.865 178.515 176.600 0.083 0.000 0.810 61 K CA 2.320 58.650 56.287 0.071 0.000 0.876 61 K CB -1.068 31.453 32.500 0.035 0.000 0.567 61 K HN 1.544 nan 8.250 nan 0.000 0.898 62 S N -1.978 113.755 115.700 0.055 0.000 3.334 62 S HA 0.538 5.009 4.470 0.001 0.000 0.224 62 S C 2.450 177.058 174.600 0.013 0.000 0.959 62 S CA 1.659 59.896 58.200 0.062 0.000 0.815 62 S CB -0.674 62.564 63.200 0.063 0.000 0.861 62 S HN 1.762 nan 8.310 nan 0.000 0.596 63 A N 1.458 124.247 122.820 -0.051 0.000 1.913 63 A HA -0.304 4.017 4.320 0.001 0.000 0.236 63 A C 2.462 180.045 177.584 -0.003 0.000 1.760 63 A CA 4.365 56.370 52.037 -0.053 0.000 0.740 63 A CB -1.740 17.223 19.000 -0.062 0.000 0.847 63 A HN 1.314 nan 8.150 nan 0.000 0.508 64 K N -1.794 118.613 120.400 0.011 0.000 2.063 64 K HA -0.035 4.286 4.320 0.001 0.000 0.208 64 K C 2.658 179.287 176.600 0.048 0.000 1.048 64 K CA 2.707 59.012 56.287 0.029 0.000 0.928 64 K CB -1.786 30.730 32.500 0.028 0.000 0.713 64 K HN 1.247 nan 8.250 nan 0.000 0.442 65 S N 0.743 116.475 115.700 0.054 0.000 2.355 65 S HA 0.232 4.702 4.470 0.001 0.000 0.222 65 S C 2.597 177.249 174.600 0.086 0.000 1.031 65 S CA 2.375 60.616 58.200 0.068 0.000 0.993 65 S CB -0.889 62.358 63.200 0.077 0.000 0.859 65 S HN 0.978 nan 8.310 nan 0.000 0.453 66 V N 1.247 121.217 119.914 0.094 0.000 2.283 66 V HA 0.196 4.316 4.120 0.001 0.000 0.243 66 V C 2.692 178.851 176.094 0.109 0.000 1.039 66 V CA 2.264 64.633 62.300 0.116 0.000 1.016 66 V CB -1.722 30.177 31.823 0.126 0.000 0.650 66 V HN 0.502 nan 8.190 nan 0.000 0.449 67 G N 0.622 109.470 108.800 0.079 0.000 2.624 67 G HA2 -0.416 3.545 3.960 0.001 0.000 0.221 67 G HA3 -0.416 3.545 3.960 0.001 0.000 0.221 67 G C 1.501 176.470 174.900 0.116 0.000 1.169 67 G CA 1.394 46.544 45.100 0.083 0.000 0.771 67 G HN 0.614 nan 8.290 nan 0.000 0.598 68 N N 0.625 119.393 118.700 0.114 0.000 2.188 68 N HA -0.063 4.678 4.740 0.001 0.000 0.184 68 N C 2.466 178.107 175.510 0.219 0.000 1.018 68 N CA 1.613 54.751 53.050 0.145 0.000 0.858 68 N CB -0.837 37.721 38.487 0.119 0.000 0.989 68 N HN 0.405 nan 8.380 nan 0.000 0.426 69 I N 0.581 121.266 120.570 0.191 0.000 2.264 69 I HA -0.122 4.049 4.170 0.001 0.000 0.248 69 I C 2.583 178.888 176.117 0.314 0.000 1.111 69 I CA 2.564 64.002 61.300 0.230 0.000 1.382 69 I CB -1.814 36.257 38.000 0.118 0.000 1.060 69 I HN 0.353 nan 8.210 nan 0.000 0.418 70 M N 0.176 119.927 119.600 0.252 0.000 2.561 70 M HA 0.598 5.079 4.480 0.001 0.000 0.238 70 M C 1.858 178.331 176.300 0.287 0.000 1.131 70 M CA 1.348 56.813 55.300 0.275 0.000 1.046 70 M CB -1.205 31.515 32.600 0.200 0.000 1.532 70 M HN 1.001 nan 8.290 nan 0.000 0.497 71 G N -1.236 107.722 108.800 0.264 0.000 3.979 71 G HA2 0.314 4.274 3.960 0.001 0.000 0.287 71 G HA3 0.314 4.274 3.960 0.001 0.000 0.287 71 G C 0.453 175.416 174.900 0.105 0.000 1.011 71 G CA 0.483 45.716 45.100 0.221 0.000 0.818 71 G HN 0.655 nan 8.290 nan 0.000 0.470 72 N N -1.080 117.686 118.700 0.110 0.000 2.104 72 N HA 0.236 4.976 4.740 0.001 0.000 0.227 72 N C 0.093 175.195 175.510 -0.679 0.000 1.321 72 N CA -0.070 52.788 53.050 -0.321 0.000 0.877 72 N CB 0.718 39.108 38.487 -0.162 0.000 1.117 72 N HN 0.169 nan 8.380 nan 0.000 0.486 73 F N -1.131 118.982 119.950 0.271 0.000 3.031 73 F HA 0.334 4.861 4.527 0.001 0.000 0.365 73 F C -0.589 175.563 175.800 0.588 0.000 1.128 73 F CA -0.315 57.891 58.000 0.342 0.000 1.068 73 F CB 0.749 39.857 39.000 0.180 0.000 1.280 73 F HN -0.072 nan 8.300 nan 0.000 0.529 74 H N -0.042 119.434 119.070 0.676 0.000 3.289 74 H HA 0.297 4.854 4.556 0.001 0.000 0.330 74 H C -2.481 172.883 175.328 0.060 0.000 1.187 74 H CA -1.582 54.659 56.048 0.322 0.000 1.601 74 H CB 1.846 31.783 29.762 0.292 0.000 1.997 74 H HN -0.251 nan 8.280 nan 0.000 0.489 75 P HA -0.113 nan 4.420 nan 0.000 0.218 75 P C 0.521 177.531 177.300 -0.483 0.000 1.149 75 P CA 1.046 63.681 63.100 -0.774 0.000 0.817 75 P CB 0.242 31.229 31.700 -1.188 0.000 0.785 76 H N -0.400 118.480 119.070 -0.316 0.000 2.021 76 H HA 0.163 4.720 4.556 0.001 0.000 0.333 76 H C 1.251 176.594 175.328 0.025 0.000 1.934 76 H CA 0.473 56.423 56.048 -0.164 0.000 1.383 76 H CB -0.686 28.930 29.762 -0.243 0.000 1.670 76 H HN 0.001 nan 8.280 nan 0.000 0.533 77 G N -1.352 107.579 108.800 0.218 0.000 2.614 77 G HA2 0.151 4.111 3.960 0.001 0.000 0.239 77 G HA3 0.151 4.111 3.960 0.001 0.000 0.239 77 G C 0.884 175.893 174.900 0.181 0.000 1.240 77 G CA 0.331 45.523 45.100 0.153 0.000 0.842 77 G HN 0.738 nan 8.290 nan 0.000 0.584 78 D N 0.057 120.536 120.400 0.132 0.000 2.088 78 D HA -0.179 4.462 4.640 0.001 0.000 0.196 78 D C 2.554 178.947 176.300 0.156 0.000 0.983 78 D CA 2.107 56.184 54.000 0.128 0.000 0.846 78 D CB -0.697 40.148 40.800 0.075 0.000 0.992 78 D HN 0.502 nan 8.370 nan 0.000 0.448 79 S N -0.584 115.199 115.700 0.138 0.000 2.423 79 S HA 0.028 4.499 4.470 0.001 0.000 0.231 79 S C 2.556 177.260 174.600 0.173 0.000 1.014 79 S CA 1.862 60.173 58.200 0.186 0.000 0.965 79 S CB -0.764 62.523 63.200 0.146 0.000 0.785 79 S HN 0.742 nan 8.310 nan 0.000 0.495 80 S N 1.336 117.122 115.700 0.143 0.000 2.359 80 S HA -0.047 4.424 4.470 0.001 0.000 0.224 80 S C 2.103 176.780 174.600 0.127 0.000 1.035 80 S CA 2.056 60.333 58.200 0.130 0.000 1.018 80 S CB -1.319 61.971 63.200 0.149 0.000 0.876 80 S HN 0.693 nan 8.310 nan 0.000 0.448 81 I N 0.497 121.165 120.570 0.162 0.000 2.086 81 I HA -0.001 4.170 4.170 0.001 0.000 0.233 81 I C 2.476 178.640 176.117 0.078 0.000 1.060 81 I CA 2.265 63.613 61.300 0.080 0.000 1.326 81 I CB -1.820 36.248 38.000 0.114 0.000 1.067 81 I HN 0.668 nan 8.210 nan 0.000 0.398 82 Y N 1.323 121.633 120.300 0.017 0.000 2.114 82 Y HA -0.374 4.177 4.550 0.001 0.000 0.282 82 Y C 2.384 178.288 175.900 0.008 0.000 1.165 82 Y CA 2.797 60.905 58.100 0.013 0.000 1.148 82 Y CB -0.676 37.803 38.460 0.031 0.000 0.972 82 Y HN 0.564 nan 8.280 nan 0.000 0.504 83 D N 0.335 120.743 120.400 0.013 0.000 2.154 83 D HA -0.306 4.335 4.640 0.001 0.000 0.190 83 D C 2.228 178.415 176.300 -0.187 0.000 1.003 83 D CA 2.083 56.012 54.000 -0.117 0.000 0.849 83 D CB -0.652 40.169 40.800 0.036 0.000 0.942 83 D HN 0.538 nan 8.370 nan 0.000 0.446 84 A N 0.250 123.006 122.820 -0.108 0.000 1.972 84 A HA -0.158 4.163 4.320 0.001 0.000 0.219 84 A C 2.357 179.848 177.584 -0.154 0.000 1.169 84 A CA 1.948 53.919 52.037 -0.110 0.000 0.635 84 A CB -0.712 18.243 19.000 -0.075 0.000 0.810 84 A HN 0.491 nan 8.150 nan 0.000 0.446 85 M N -0.067 119.420 119.600 -0.190 0.000 2.064 85 M HA -0.098 4.383 4.480 0.001 0.000 0.260 85 M C 2.243 178.395 176.300 -0.246 0.000 1.073 85 M CA 2.245 57.431 55.300 -0.189 0.000 1.124 85 M CB -0.637 31.874 32.600 -0.149 0.000 1.326 85 M HN 0.297 nan 8.290 nan 0.000 0.410 86 V N 1.080 120.744 119.914 -0.417 0.000 2.280 86 V HA -0.413 3.708 4.120 0.001 0.000 0.258 86 V C 2.525 178.477 176.094 -0.237 0.000 1.081 86 V CA 3.037 65.131 62.300 -0.343 0.000 1.070 86 V CB -1.413 30.159 31.823 -0.419 0.000 0.666 86 V HN 0.639 nan 8.190 nan 0.000 0.450 87 R N -0.377 119.989 120.500 -0.224 0.000 2.119 87 R HA -0.227 4.114 4.340 0.001 0.000 0.246 87 R C 2.154 178.338 176.300 -0.193 0.000 1.146 87 R CA 2.949 58.927 56.100 -0.203 0.000 0.962 87 R CB -0.576 29.629 30.300 -0.158 0.000 0.863 87 R HN 0.824 nan 8.270 nan 0.000 0.442 88 M N -0.704 118.802 119.600 -0.156 0.000 2.659 88 M HA 0.171 4.652 4.480 0.001 0.000 0.243 88 M C 2.300 178.530 176.300 -0.116 0.000 1.111 88 M CA 1.971 57.197 55.300 -0.123 0.000 1.070 88 M CB -1.201 31.342 32.600 -0.094 0.000 1.525 88 M HN 0.498 nan 8.290 nan 0.000 0.517 89 S N -0.069 115.550 115.700 -0.136 0.000 2.486 89 S HA 0.427 4.898 4.470 0.001 0.000 0.220 89 S C 1.439 175.963 174.600 -0.126 0.000 1.011 89 S CA 0.821 58.962 58.200 -0.098 0.000 0.921 89 S CB -0.335 62.819 63.200 -0.077 0.000 0.785 89 S HN 1.115 nan 8.310 nan 0.000 0.517 90 Q N 1.817 121.473 119.800 -0.239 0.000 2.369 90 Q HA 0.452 4.793 4.340 0.001 0.000 0.247 90 Q C 0.719 176.508 176.000 -0.351 0.000 1.083 90 Q CA -0.236 55.309 55.803 -0.430 0.000 0.905 90 Q CB -0.499 27.758 28.738 -0.801 0.000 1.305 90 Q HN 0.568 nan 8.270 nan 0.000 0.465 91 N N 2.136 120.758 118.700 -0.131 0.000 2.094 91 N HA -0.145 4.596 4.740 0.001 0.000 0.191 91 N C 1.159 176.706 175.510 0.062 0.000 1.023 91 N CA 2.122 55.179 53.050 0.012 0.000 0.857 91 N CB 0.034 38.595 38.487 0.123 0.000 1.013 91 N HN 0.955 nan 8.380 nan 0.000 0.426 92 W N -0.884 120.427 121.300 0.018 0.000 3.314 92 W HA 0.419 5.080 4.660 0.001 0.000 0.413 92 W C 0.798 177.334 176.519 0.028 0.000 1.007 92 W CA 0.307 57.667 57.345 0.025 0.000 1.881 92 W CB -1.339 28.132 29.460 0.018 0.000 0.928 92 W HN 0.146 nan 8.180 nan 0.000 0.818 93 K N 0.012 120.307 120.400 -0.176 0.000 2.556 93 K HA 0.178 4.499 4.320 0.001 0.000 0.201 93 K C 0.565 177.126 176.600 -0.066 0.000 1.423 93 K CA 0.995 57.173 56.287 -0.183 0.000 1.010 93 K CB -0.649 31.629 32.500 -0.370 0.000 1.409 93 K HN 0.275 nan 8.250 nan 0.000 0.538 94 N N -0.372 118.288 118.700 -0.066 0.000 2.592 94 N HA 0.598 5.339 4.740 0.001 0.000 0.292 94 N C 1.271 176.778 175.510 -0.005 0.000 1.260 94 N CA 0.450 53.480 53.050 -0.033 0.000 0.910 94 N CB 0.930 39.386 38.487 -0.051 0.000 1.257 94 N HN 0.675 nan 8.380 nan 0.000 0.569 95 R N -0.647 119.845 120.500 -0.014 0.000 2.041 95 R HA 0.548 4.888 4.340 0.001 0.000 0.221 95 R C 1.459 177.756 176.300 -0.006 0.000 1.196 95 R CA 1.714 57.809 56.100 -0.008 0.000 0.969 95 R CB -1.534 28.748 30.300 -0.030 0.000 0.858 95 R HN 1.216 nan 8.270 nan 0.000 0.444 96 E N 0.667 120.858 120.200 -0.015 0.000 2.105 96 E HA 0.619 4.970 4.350 0.001 0.000 0.285 96 E C 0.147 176.735 176.600 -0.019 0.000 1.055 96 E CA -0.030 56.362 56.400 -0.013 0.000 0.843 96 E CB -0.554 29.137 29.700 -0.013 0.000 1.067 96 E HN 1.217 nan 8.360 nan 0.000 0.398 97 I N 1.799 122.359 120.570 -0.017 0.000 2.483 97 I HA 0.533 4.704 4.170 0.001 0.000 0.291 97 I C 1.610 177.710 176.117 -0.029 0.000 1.112 97 I CA 0.475 61.757 61.300 -0.029 0.000 1.350 97 I CB -0.248 37.739 38.000 -0.022 0.000 1.419 97 I HN 1.200 nan 8.210 nan 0.000 0.523 98 L N 4.637 125.838 121.223 -0.038 0.000 2.660 98 L HA 0.745 5.086 4.340 0.001 0.000 0.238 98 L C 0.619 177.465 176.870 -0.039 0.000 1.161 98 L CA 0.965 55.784 54.840 -0.035 0.000 0.937 98 L CB -1.747 40.291 42.059 -0.034 0.000 1.122 98 L HN 2.303 nan 8.230 nan 0.000 0.435 99 V N -2.276 117.616 119.914 -0.037 0.000 2.851 99 V HA 0.704 4.825 4.120 0.001 0.000 0.290 99 V C -0.493 175.593 176.094 -0.013 0.000 1.330 99 V CA -0.085 62.197 62.300 -0.031 0.000 0.944 99 V CB 0.678 32.480 31.823 -0.035 0.000 1.090 99 V HN 0.797 nan 8.190 nan 0.000 0.436 100 E N 3.188 123.389 120.200 0.003 0.000 2.174 100 E HA 1.047 5.398 4.350 0.001 0.000 0.282 100 E C -0.168 176.503 176.600 0.117 0.000 0.992 100 E CA 0.197 56.627 56.400 0.051 0.000 0.803 100 E CB 1.665 31.398 29.700 0.055 0.000 1.090 100 E HN 2.667 nan 8.360 nan 0.000 0.396 101 M N -0.321 119.365 119.600 0.143 0.000 2.821 101 M HA 0.974 5.454 4.480 0.001 0.000 0.294 101 M C 0.305 176.713 176.300 0.181 0.000 1.195 101 M CA -0.155 55.263 55.300 0.197 0.000 0.784 101 M CB 0.948 33.621 32.600 0.123 0.000 1.755 101 M HN 1.938 nan 8.290 nan 0.000 0.477 102 H N -1.258 117.872 119.070 0.100 0.000 3.083 102 H HA 0.732 5.289 4.556 0.001 0.000 0.339 102 H C 0.316 175.640 175.328 -0.006 0.000 1.020 102 H CA -0.525 55.510 56.048 -0.022 0.000 1.360 102 H CB 1.088 30.689 29.762 -0.268 0.000 1.811 102 H HN 2.645 nan 8.280 nan 0.000 0.493 103 G N -0.071 108.735 108.800 0.009 0.000 2.370 103 G HA2 0.520 4.480 3.960 0.001 0.000 0.225 103 G HA3 0.520 4.480 3.960 0.001 0.000 0.225 103 G C 0.343 175.257 174.900 0.023 0.000 1.109 103 G CA 0.996 46.105 45.100 0.013 0.000 0.871 103 G HN 2.542 nan 8.290 nan 0.000 0.498 104 N N -2.773 115.943 118.700 0.026 0.000 3.038 104 N HA 0.278 5.018 4.740 0.001 0.000 0.257 104 N C 1.583 177.131 175.510 0.063 0.000 1.098 104 N CA 1.862 54.933 53.050 0.035 0.000 0.669 104 N CB -2.145 36.344 38.487 0.004 0.000 1.007 104 N HN 2.123 nan 8.380 nan 0.000 0.574 105 N N -0.545 118.201 118.700 0.076 0.000 2.018 105 N HA 0.505 5.246 4.740 0.001 0.000 0.196 105 N C 2.039 177.608 175.510 0.097 0.000 1.043 105 N CA 2.712 55.807 53.050 0.075 0.000 0.856 105 N CB -0.032 38.505 38.487 0.083 0.000 1.042 105 N HN 2.652 nan 8.380 nan 0.000 0.423 106 G N -3.408 105.496 108.800 0.174 0.000 2.220 106 G HA2 0.606 4.567 3.960 0.001 0.000 0.232 106 G HA3 0.606 4.567 3.960 0.001 0.000 0.232 106 G C -0.312 174.821 174.900 0.388 0.000 1.680 106 G CA 0.308 45.539 45.100 0.219 0.000 0.922 106 G HN 1.219 nan 8.290 nan 0.000 0.723 107 S N 0.131 115.953 115.700 0.203 0.000 2.569 107 S HA 0.653 5.124 4.470 0.001 0.000 0.274 107 S C 2.126 176.660 174.600 -0.112 0.000 1.353 107 S CA 1.106 59.326 58.200 0.033 0.000 1.023 107 S CB 0.332 63.507 63.200 -0.041 0.000 0.876 107 S HN 2.365 nan 8.310 nan 0.000 0.540 108 M N 0.432 119.547 119.600 -0.810 0.000 2.700 108 M HA 0.293 4.773 4.480 0.001 0.000 0.249 108 M C 1.238 177.310 176.300 -0.379 0.000 1.082 108 M CA 1.978 56.608 55.300 -1.116 0.000 1.077 108 M CB -2.034 29.854 32.600 -1.186 0.000 1.477 108 M HN 1.042 nan 8.290 nan 0.000 0.529 109 D N 0.265 120.535 120.400 -0.216 0.000 2.706 109 D HA 0.458 5.099 4.640 0.001 0.000 0.236 109 D C 1.148 177.427 176.300 -0.034 0.000 1.231 109 D CA 0.340 54.274 54.000 -0.109 0.000 0.828 109 D CB -1.357 39.385 40.800 -0.095 0.000 1.015 109 D HN 1.849 nan 8.370 nan 0.000 0.484 110 G N 0.011 108.816 108.800 0.008 0.000 2.342 110 G HA2 0.297 4.258 3.960 0.001 0.000 0.267 110 G HA3 0.297 4.258 3.960 0.001 0.000 0.267 110 G C -0.040 174.892 174.900 0.053 0.000 0.922 110 G CA 0.359 45.489 45.100 0.050 0.000 1.342 110 G HN 1.219 nan 8.290 nan 0.000 0.430 111 D N 2.971 123.425 120.400 0.090 0.000 2.440 111 D HA 0.682 5.323 4.640 0.001 0.000 0.239 111 D C -1.842 174.509 176.300 0.084 0.000 1.084 111 D CA -1.480 52.565 54.000 0.076 0.000 0.843 111 D CB 1.010 41.858 40.800 0.081 0.000 1.097 111 D HN 0.322 nan 8.370 nan 0.000 0.531 112 P HA 0.266 nan 4.420 nan 0.000 0.261 112 P C -2.298 175.040 177.300 0.063 0.000 1.203 112 P CA -0.542 62.595 63.100 0.061 0.000 0.767 112 P CB 0.358 32.087 31.700 0.049 0.000 0.785 113 P HA 0.334 nan 4.420 nan 0.000 0.277 113 P C -0.706 176.672 177.300 0.130 0.000 1.240 113 P CA -0.527 62.628 63.100 0.091 0.000 0.798 113 P CB 0.778 32.525 31.700 0.080 0.000 0.979 114 A N 1.512 124.416 122.820 0.141 0.000 2.302 114 A HA 0.620 4.941 4.320 0.001 0.000 0.285 114 A C 0.589 178.360 177.584 0.310 0.000 1.105 114 A CA -0.200 51.946 52.037 0.182 0.000 0.816 114 A CB -0.024 18.992 19.000 0.027 0.000 1.067 114 A HN 0.680 nan 8.150 nan 0.000 0.489 115 A N 0.543 123.530 122.820 0.278 0.000 2.377 115 A HA 0.364 4.685 4.320 0.001 0.000 0.274 115 A C 1.873 179.378 177.584 -0.132 0.000 1.178 115 A CA 1.091 53.175 52.037 0.079 0.000 0.836 115 A CB -0.662 18.351 19.000 0.023 0.000 1.111 115 A HN 2.217 nan 8.150 nan 0.000 0.517 116 M N -0.609 118.679 119.600 -0.520 0.000 2.530 116 M HA 0.046 4.527 4.480 0.001 0.000 0.261 116 M C 2.187 178.342 176.300 -0.241 0.000 1.067 116 M CA 2.983 57.932 55.300 -0.584 0.000 1.071 116 M CB -2.500 29.768 32.600 -0.554 0.000 1.405 116 M HN 1.323 nan 8.290 nan 0.000 0.478 117 R N -1.610 118.748 120.500 -0.237 0.000 2.307 117 R HA 0.156 4.496 4.340 0.001 0.000 0.199 117 R C 1.495 177.567 176.300 -0.379 0.000 1.000 117 R CA 1.795 57.672 56.100 -0.372 0.000 1.023 117 R CB -1.100 28.860 30.300 -0.567 0.000 0.908 117 R HN 0.909 nan 8.270 nan 0.000 0.473 118 Y N -1.414 118.873 120.300 -0.021 0.000 2.731 118 Y HA 0.364 4.914 4.550 0.001 0.000 0.269 118 Y C 1.874 177.792 175.900 0.030 0.000 1.156 118 Y CA -0.099 58.006 58.100 0.008 0.000 1.191 118 Y CB 0.088 38.560 38.460 0.020 0.000 1.382 118 Y HN 0.289 nan 8.280 nan 0.000 0.477 119 T N 1.322 116.015 114.554 0.233 0.000 2.901 119 T HA 0.528 4.879 4.350 0.001 0.000 0.301 119 T C 0.139 174.934 174.700 0.159 0.000 1.012 119 T CA 0.381 62.602 62.100 0.203 0.000 1.135 119 T CB -0.147 68.901 68.868 0.301 0.000 0.936 119 T HN 0.303 nan 8.240 nan 0.000 0.539 120 E N 0.418 120.702 120.200 0.139 0.000 2.199 120 E HA 0.795 5.146 4.350 0.001 0.000 0.269 120 E C -0.290 176.451 176.600 0.235 0.000 0.899 120 E CA -0.463 56.033 56.400 0.160 0.000 0.772 120 E CB 1.481 31.256 29.700 0.126 0.000 1.155 120 E HN 1.460 nan 8.360 nan 0.000 0.408 121 A N 1.706 124.664 122.820 0.230 0.000 2.507 121 A HA 1.032 5.353 4.320 0.001 0.000 0.284 121 A C -0.189 177.458 177.584 0.105 0.000 1.281 121 A CA -0.315 51.848 52.037 0.211 0.000 0.744 121 A CB 1.780 20.864 19.000 0.140 0.000 1.332 121 A HN 0.967 nan 8.150 nan 0.000 0.454 122 R N -2.237 118.269 120.500 0.011 0.000 2.833 122 R HA 0.500 4.841 4.340 0.001 0.000 0.259 122 R C -1.489 174.758 176.300 -0.088 0.000 1.047 122 R CA -0.144 55.898 56.100 -0.098 0.000 0.916 122 R CB 0.301 30.416 30.300 -0.308 0.000 1.259 122 R HN 1.644 nan 8.270 nan 0.000 0.482 123 L N 1.395 122.564 121.223 -0.089 0.000 2.456 123 L HA 0.700 5.041 4.340 0.001 0.000 0.272 123 L C 0.885 177.707 176.870 -0.079 0.000 1.189 123 L CA 0.843 55.639 54.840 -0.074 0.000 0.846 123 L CB -0.078 41.936 42.059 -0.075 0.000 1.111 123 L HN 0.980 nan 8.230 nan 0.000 0.475 124 S N 0.990 116.656 115.700 -0.057 0.000 2.713 124 S HA 0.678 5.149 4.470 0.001 0.000 0.283 124 S C 1.237 175.812 174.600 -0.040 0.000 1.161 124 S CA 0.454 58.626 58.200 -0.046 0.000 0.999 124 S CB 0.217 63.400 63.200 -0.028 0.000 1.039 124 S HN 1.740 nan 8.310 nan 0.000 0.548 125 E N 0.506 120.688 120.200 -0.030 0.000 1.983 125 E HA -0.025 4.326 4.350 0.001 0.000 0.208 125 E C 2.397 178.984 176.600 -0.022 0.000 1.006 125 E CA 2.948 59.334 56.400 -0.025 0.000 0.872 125 E CB -1.939 27.752 29.700 -0.014 0.000 0.806 125 E HN 1.823 nan 8.360 nan 0.000 0.510 126 I N 1.300 121.861 120.570 -0.015 0.000 2.285 126 I HA -0.009 4.161 4.170 0.001 0.000 0.253 126 I C 3.006 179.113 176.117 -0.016 0.000 1.104 126 I CA 3.640 64.933 61.300 -0.012 0.000 1.372 126 I CB -2.012 35.982 38.000 -0.009 0.000 1.057 126 I HN 0.880 nan 8.210 nan 0.000 0.431 127 A N 0.641 123.447 122.820 -0.023 0.000 1.881 127 A HA -0.091 4.230 4.320 0.001 0.000 0.219 127 A C 2.931 180.496 177.584 -0.033 0.000 1.215 127 A CA 3.082 55.101 52.037 -0.030 0.000 0.648 127 A CB -1.799 17.177 19.000 -0.039 0.000 0.832 127 A HN 1.574 nan 8.150 nan 0.000 0.455 128 G N -1.726 107.052 108.800 -0.037 0.000 2.802 128 G HA2 -0.302 3.659 3.960 0.001 0.000 0.222 128 G HA3 -0.302 3.659 3.960 0.001 0.000 0.222 128 G C 1.678 176.561 174.900 -0.028 0.000 1.248 128 G CA 3.621 48.698 45.100 -0.037 0.000 0.787 128 G HN 1.497 nan 8.290 nan 0.000 0.643 129 Y N -0.378 119.912 120.300 -0.017 0.000 1.651 129 Y HA -0.204 4.346 4.550 0.001 0.000 0.152 129 Y C 3.796 179.692 175.900 -0.007 0.000 0.953 129 Y CA 4.517 62.614 58.100 -0.005 0.000 0.760 129 Y CB -1.524 36.939 38.460 0.005 0.000 0.664 129 Y HN 1.166 nan 8.280 nan 0.000 0.644 130 L N 0.108 121.329 121.223 -0.004 0.000 2.034 130 L HA 0.067 4.407 4.340 0.001 0.000 0.217 130 L C 3.125 179.984 176.870 -0.018 0.000 1.077 130 L CA 4.278 59.115 54.840 -0.006 0.000 0.769 130 L CB -2.016 40.041 42.059 -0.003 0.000 0.890 130 L HN 1.967 nan 8.230 nan 0.000 0.435 131 L N -0.381 120.826 121.223 -0.026 0.000 2.718 131 L HA 0.636 4.977 4.340 0.001 0.000 0.242 131 L C 1.845 178.690 176.870 -0.041 0.000 1.203 131 L CA 1.201 56.020 54.840 -0.036 0.000 1.011 131 L CB -2.413 39.607 42.059 -0.064 0.000 1.250 131 L HN 1.114 nan 8.230 nan 0.000 0.437 132 Q N -0.512 119.271 119.800 -0.029 0.000 3.041 132 Q HA 0.485 4.825 4.340 0.001 0.000 0.372 132 Q C 0.550 176.538 176.000 -0.019 0.000 1.241 132 Q CA 1.033 56.821 55.803 -0.025 0.000 1.010 132 Q CB -0.698 28.030 28.738 -0.017 0.000 1.467 132 Q HN 1.726 nan 8.270 nan 0.000 0.462 133 D N -2.372 118.015 120.400 -0.021 0.000 4.398 133 D HA 0.141 4.782 4.640 0.001 0.000 0.135 133 D C 1.399 177.689 176.300 -0.017 0.000 0.416 133 D CA 0.565 54.558 54.000 -0.012 0.000 0.595 133 D CB -2.088 38.707 40.800 -0.009 0.000 1.645 133 D HN 1.244 nan 8.370 nan 0.000 0.054 134 I N 0.014 120.572 120.570 -0.019 0.000 2.236 134 I HA 0.195 4.366 4.170 0.001 0.000 0.249 134 I C 2.863 178.967 176.117 -0.022 0.000 1.102 134 I CA 3.921 65.218 61.300 -0.006 0.000 1.365 134 I CB -2.027 35.987 38.000 0.024 0.000 1.051 134 I HN 1.223 nan 8.210 nan 0.000 0.420 135 E N 0.678 120.863 120.200 -0.024 0.000 2.110 135 E HA -0.258 4.093 4.350 0.001 0.000 0.225 135 E C 1.829 178.414 176.600 -0.025 0.000 1.063 135 E CA 3.435 59.827 56.400 -0.014 0.000 0.906 135 E CB -1.485 28.220 29.700 0.009 0.000 0.795 135 E HN 1.496 nan 8.360 nan 0.000 0.479 136 K N 0.468 120.857 120.400 -0.019 0.000 2.318 136 K HA 0.451 4.772 4.320 0.001 0.000 0.243 136 K C 0.683 177.094 176.600 -0.315 0.000 1.047 136 K CA 0.239 56.444 56.287 -0.136 0.000 0.937 136 K CB -0.069 32.517 32.500 0.145 0.000 1.225 136 K HN 0.364 nan 8.250 nan 0.000 0.506 137 K N 1.785 121.790 120.400 -0.659 0.000 2.989 137 K HA 0.106 4.427 4.320 0.001 0.000 0.264 137 K C 1.309 177.774 176.600 -0.224 0.000 1.228 137 K CA 0.490 56.506 56.287 -0.453 0.000 1.186 137 K CB -1.324 30.829 32.500 -0.578 0.000 1.409 137 K HN 0.812 nan 8.250 nan 0.000 0.271 138 T N 0.546 115.015 114.554 -0.143 0.000 3.127 138 T HA 0.195 4.545 4.350 0.001 0.000 0.207 138 T C 1.124 175.780 174.700 -0.074 0.000 0.912 138 T CA 0.802 62.856 62.100 -0.077 0.000 2.256 138 T CB -0.382 68.456 68.868 -0.051 0.000 1.591 138 T HN 0.225 nan 8.240 nan 0.000 0.397 139 V N 2.080 121.956 119.914 -0.064 0.000 2.872 139 V HA 0.473 4.594 4.120 0.001 0.000 0.307 139 V C -2.250 173.805 176.094 -0.064 0.000 1.072 139 V CA -1.300 60.964 62.300 -0.060 0.000 1.148 139 V CB -0.442 31.349 31.823 -0.053 0.000 0.954 139 V HN 0.446 nan 8.190 nan 0.000 0.490 140 P HA 0.498 nan 4.420 nan 0.000 0.281 140 P C -0.436 176.823 177.300 -0.069 0.000 1.286 140 P CA 0.491 63.555 63.100 -0.061 0.000 0.772 140 P CB 0.356 32.036 31.700 -0.033 0.000 0.862 141 F N 1.543 121.430 119.950 -0.105 0.000 2.379 141 F HA 0.737 5.265 4.527 0.001 0.000 0.332 141 F C 0.509 176.207 175.800 -0.169 0.000 1.096 141 F CA -0.874 57.048 58.000 -0.130 0.000 1.105 141 F CB 0.733 39.645 39.000 -0.148 0.000 1.189 141 F HN 0.546 nan 8.300 nan 0.000 0.515 142 A N 1.419 124.152 122.820 -0.144 0.000 3.200 142 A HA 0.804 5.124 4.320 0.001 0.000 0.208 142 A C -0.914 176.564 177.584 -0.177 0.000 1.360 142 A CA -0.825 51.133 52.037 -0.132 0.000 0.892 142 A CB 0.323 19.323 19.000 -0.002 0.000 1.600 142 A HN 1.042 nan 8.150 nan 0.000 0.501 143 W N -1.479 119.809 121.300 -0.020 0.000 2.448 143 W HA 0.488 5.149 4.660 0.002 0.000 0.339 143 W C 0.880 177.363 176.519 -0.059 0.000 1.124 143 W CA 0.412 57.731 57.345 -0.042 0.000 1.262 143 W CB 0.712 30.149 29.460 -0.037 0.000 1.251 143 W HN 1.041 nan 8.180 nan 0.000 0.597 144 N N 1.509 120.374 118.700 0.275 0.000 2.371 144 N HA 0.086 4.827 4.740 0.001 0.000 0.243 144 N C 0.287 175.803 175.510 0.010 0.000 1.287 144 N CA 0.530 53.557 53.050 -0.039 0.000 0.911 144 N CB 0.076 38.400 38.487 -0.273 0.000 1.142 144 N HN 0.540 nan 8.380 nan 0.000 0.451 145 F N -1.752 118.181 119.950 -0.028 0.000 2.149 145 F HA 0.152 4.679 4.527 0.001 0.000 0.294 145 F C 2.372 178.131 175.800 -0.069 0.000 1.095 145 F CA 1.382 59.358 58.000 -0.039 0.000 1.276 145 F CB -0.818 38.155 39.000 -0.045 0.000 1.023 145 F HN 0.470 nan 8.300 nan 0.000 0.480 146 D N -0.155 119.957 120.400 -0.480 0.000 2.271 146 D HA -0.136 4.505 4.640 0.001 0.000 0.207 146 D C 0.838 177.012 176.300 -0.210 0.000 0.983 146 D CA 1.431 55.262 54.000 -0.281 0.000 0.878 146 D CB -0.934 39.601 40.800 -0.442 0.000 0.920 146 D HN 0.480 nan 8.370 nan 0.000 0.479 147 D N -2.955 117.317 120.400 -0.214 0.000 3.017 147 D HA -0.132 4.508 4.640 0.001 0.000 0.220 147 D C 1.405 177.623 176.300 -0.137 0.000 1.141 147 D CA 1.485 55.356 54.000 -0.215 0.000 0.848 147 D CB -1.717 38.877 40.800 -0.343 0.000 1.102 147 D HN 0.766 nan 8.370 nan 0.000 0.427 148 T N -1.441 113.039 114.554 -0.124 0.000 3.207 148 T HA 0.422 4.773 4.350 0.001 0.000 0.229 148 T C 1.125 175.846 174.700 0.036 0.000 0.999 148 T CA 1.647 63.702 62.100 -0.075 0.000 1.386 148 T CB -0.191 68.576 68.868 -0.168 0.000 1.130 148 T HN 0.411 nan 8.240 nan 0.000 0.435 149 E N 0.275 120.426 120.200 -0.083 0.000 2.620 149 E HA 0.598 4.949 4.350 0.001 0.000 0.255 149 E C 0.145 176.745 176.600 -0.000 0.000 1.346 149 E CA 0.068 56.447 56.400 -0.035 0.000 1.013 149 E CB -0.617 29.034 29.700 -0.082 0.000 1.131 149 E HN 1.045 nan 8.360 nan 0.000 0.608 150 K N -0.702 119.664 120.400 -0.055 0.000 2.208 150 K HA 0.770 5.091 4.320 0.001 0.000 0.247 150 K C 0.012 176.587 176.600 -0.041 0.000 0.953 150 K CA -0.000 56.202 56.287 -0.142 0.000 0.837 150 K CB 0.967 33.230 32.500 -0.395 0.000 1.131 150 K HN 1.283 nan 8.250 nan 0.000 0.431 151 E N 1.801 121.974 120.200 -0.045 0.000 2.238 151 E HA 0.703 5.054 4.350 0.001 0.000 0.267 151 E C -2.950 173.564 176.600 -0.143 0.000 0.887 151 E CA -2.029 54.346 56.400 -0.042 0.000 0.769 151 E CB 1.481 31.301 29.700 0.201 0.000 1.187 151 E HN 0.545 nan 8.360 nan 0.000 0.416 152 P HA 0.433 nan 4.420 nan 0.000 0.278 152 P C -0.174 177.085 177.300 -0.068 0.000 1.238 152 P CA 0.227 63.242 63.100 -0.143 0.000 0.794 152 P CB 1.547 33.166 31.700 -0.135 0.000 0.955 153 T N 1.218 115.750 114.554 -0.036 0.000 3.471 153 T HA 0.556 4.906 4.350 0.001 0.000 0.355 153 T C 0.339 175.035 174.700 -0.006 0.000 1.775 153 T CA -0.228 61.871 62.100 -0.002 0.000 1.305 153 T CB -1.367 67.515 68.868 0.023 0.000 1.171 153 T HN 0.649 nan 8.240 nan 0.000 0.776 154 V N -0.391 119.516 119.914 -0.013 0.000 3.136 154 V HA 0.363 4.484 4.120 0.001 0.000 0.448 154 V C 0.354 176.429 176.094 -0.032 0.000 0.682 154 V CA -0.469 61.818 62.300 -0.023 0.000 1.979 154 V CB -2.195 29.609 31.823 -0.032 0.000 2.455 154 V HN 1.943 nan 8.190 nan 0.000 0.492 155 L N 5.172 126.383 121.223 -0.020 0.000 2.485 155 L HA 0.709 5.050 4.340 0.001 0.000 0.275 155 L C 0.108 176.950 176.870 -0.047 0.000 1.207 155 L CA -0.092 54.740 54.840 -0.014 0.000 0.855 155 L CB -0.655 41.409 42.059 0.008 0.000 1.114 155 L HN 0.833 nan 8.230 nan 0.000 0.485 156 P HA 0.250 nan 4.420 nan 0.000 0.215 156 P C 0.427 177.644 177.300 -0.139 0.000 1.157 156 P CA 1.578 64.620 63.100 -0.097 0.000 0.859 156 P CB 0.025 31.681 31.700 -0.073 0.000 0.786 157 A N -2.080 120.690 122.820 -0.084 0.000 2.435 157 A HA 0.206 4.527 4.320 0.001 0.000 0.686 157 A C 0.970 178.546 177.584 -0.013 0.000 0.138 157 A CA -0.142 51.863 52.037 -0.053 0.000 0.026 157 A CB -1.664 17.290 19.000 -0.076 0.000 3.973 157 A HN 0.291 nan 8.150 nan 0.000 0.548 158 A N 3.563 126.406 122.820 0.038 0.000 1.843 158 A HA 0.583 4.904 4.320 0.001 0.000 0.213 158 A C 1.618 179.297 177.584 0.158 0.000 1.239 158 A CA 1.880 53.966 52.037 0.082 0.000 0.606 158 A CB -0.636 18.388 19.000 0.041 0.000 0.903 158 A HN 2.523 nan 8.150 nan 0.000 0.455 159 F N 0.556 120.568 119.950 0.103 0.000 2.472 159 F HA 0.537 5.065 4.527 0.001 0.000 0.364 159 F C -1.987 173.890 175.800 0.127 0.000 1.090 159 F CA -2.186 55.862 58.000 0.080 0.000 1.188 159 F CB -0.701 38.318 39.000 0.031 0.000 1.105 159 F HN 0.166 nan 8.300 nan 0.000 0.536 160 P HA 0.115 nan 4.420 nan 0.000 0.251 160 P C 1.407 178.728 177.300 0.036 0.000 1.624 160 P CA 1.200 64.302 63.100 0.004 0.000 0.907 160 P CB -0.950 30.502 31.700 -0.413 0.000 1.867 161 N N 0.233 118.982 118.700 0.082 0.000 2.313 161 N HA -0.325 4.416 4.740 0.001 0.000 0.196 161 N C 1.792 177.313 175.510 0.019 0.000 0.995 161 N CA 2.271 55.342 53.050 0.035 0.000 0.899 161 N CB -1.367 37.141 38.487 0.035 0.000 0.977 161 N HN 0.299 nan 8.380 nan 0.000 0.451 162 L N -1.376 119.874 121.223 0.044 0.000 2.044 162 L HA 0.598 4.939 4.340 0.001 0.000 0.205 162 L C 3.140 180.004 176.870 -0.010 0.000 1.075 162 L CA 2.548 57.407 54.840 0.032 0.000 0.747 162 L CB -1.461 40.645 42.059 0.078 0.000 0.903 162 L HN 1.130 nan 8.230 nan 0.000 0.435 163 L N -1.665 119.533 121.223 -0.041 0.000 2.693 163 L HA 0.755 5.096 4.340 0.001 0.000 0.235 163 L C 2.362 179.184 176.870 -0.080 0.000 1.127 163 L CA 1.328 56.131 54.840 -0.062 0.000 0.914 163 L CB -0.986 41.028 42.059 -0.075 0.000 1.193 163 L HN 0.715 nan 8.230 nan 0.000 0.502 164 V N -1.471 118.399 119.914 -0.074 0.000 3.608 164 V HA 0.296 4.417 4.120 0.001 0.000 0.269 164 V C 0.851 176.906 176.094 -0.066 0.000 1.245 164 V CA 0.990 63.245 62.300 -0.075 0.000 1.138 164 V CB -0.307 31.478 31.823 -0.063 0.000 0.841 164 V HN 0.662 nan 8.190 nan 0.000 0.451 177 D N -0.216 120.191 120.400 0.012 0.000 2.964 177 D HA 0.990 5.630 4.640 0.001 0.000 0.234 177 D C -0.262 176.051 176.300 0.022 0.000 1.223 177 D CA 0.093 54.105 54.000 0.020 0.000 0.889 177 D CB 1.245 42.062 40.800 0.028 0.000 1.609 177 D HN 1.986 nan 8.370 nan 0.000 0.523 178 I N 0.693 121.275 120.570 0.020 0.000 2.497 178 I HA 0.798 4.969 4.170 0.001 0.000 0.284 178 I C -3.018 173.104 176.117 0.008 0.000 1.060 178 I CA -2.059 59.247 61.300 0.010 0.000 1.071 178 I CB 1.474 39.472 38.000 -0.003 0.000 1.216 178 I HN 0.396 nan 8.210 nan 0.000 0.442 179 P HA 0.638 nan 4.420 nan 0.000 0.281 179 P C -2.660 174.535 177.300 -0.175 0.000 1.249 179 P CA -1.340 61.750 63.100 -0.016 0.000 0.810 179 P CB 0.318 32.058 31.700 0.066 0.000 1.008 180 P HA 0.059 nan 4.420 nan 0.000 0.267 180 P C 0.467 177.577 177.300 -0.316 0.000 1.195 180 P CA 0.945 63.882 63.100 -0.272 0.000 0.773 180 P CB 0.131 31.647 31.700 -0.307 0.000 0.837 181 H N -1.620 117.331 119.070 -0.199 0.000 3.726 181 H HA 0.283 4.840 4.556 0.001 0.000 0.262 181 H C 0.348 175.608 175.328 -0.114 0.000 1.181 181 H CA 0.451 56.400 56.048 -0.165 0.000 1.143 181 H CB -0.581 29.106 29.762 -0.125 0.000 1.627 181 H HN 0.619 nan 8.280 nan 0.000 0.750 182 N N -1.711 116.929 118.700 -0.101 0.000 3.779 182 N HA -0.006 4.735 4.740 0.001 0.000 0.279 182 N C 1.527 177.003 175.510 -0.056 0.000 2.052 182 N CA 1.042 54.052 53.050 -0.067 0.000 2.429 182 N CB -2.142 36.311 38.487 -0.057 0.000 0.554 182 N HN 1.896 nan 8.380 nan 0.000 0.551 183 L N 1.725 122.920 121.223 -0.047 0.000 2.123 183 L HA -0.013 4.328 4.340 0.001 0.000 0.217 183 L C 3.270 180.116 176.870 -0.040 0.000 1.081 183 L CA 3.827 58.640 54.840 -0.045 0.000 0.772 183 L CB -2.425 39.616 42.059 -0.030 0.000 0.890 183 L HN 1.990 nan 8.230 nan 0.000 0.437 184 A N -0.625 122.179 122.820 -0.027 0.000 1.841 184 A HA -0.090 4.231 4.320 0.001 0.000 0.216 184 A C 2.496 180.075 177.584 -0.009 0.000 1.199 184 A CA 3.141 55.169 52.037 -0.014 0.000 0.621 184 A CB -1.217 17.779 19.000 -0.007 0.000 0.835 184 A HN 1.188 nan 8.150 nan 0.000 0.445 185 E N -0.783 119.411 120.200 -0.010 0.000 2.150 185 E HA 0.143 4.493 4.350 0.001 0.000 0.193 185 E C 2.198 178.788 176.600 -0.016 0.000 0.985 185 E CA 1.862 58.269 56.400 0.012 0.000 0.814 185 E CB -1.535 28.170 29.700 0.009 0.000 0.752 185 E HN 1.161 nan 8.360 nan 0.000 0.466 186 V N 0.993 120.873 119.914 -0.057 0.000 2.283 186 V HA 0.144 4.265 4.120 0.001 0.000 0.243 186 V C 3.051 179.065 176.094 -0.134 0.000 1.039 186 V CA 3.242 65.480 62.300 -0.104 0.000 1.016 186 V CB -0.916 30.830 31.823 -0.128 0.000 0.650 186 V HN 0.713 nan 8.190 nan 0.000 0.449 187 I N 0.744 121.247 120.570 -0.113 0.000 2.614 187 I HA 0.029 4.200 4.170 0.001 0.000 0.258 187 I C 2.211 178.267 176.117 -0.101 0.000 1.189 187 I CA 2.711 63.945 61.300 -0.111 0.000 1.462 187 I CB -2.023 35.935 38.000 -0.070 0.000 1.092 187 I HN 0.657 nan 8.210 nan 0.000 0.442 188 D N 0.503 120.854 120.400 -0.082 0.000 2.084 188 D HA 0.050 4.690 4.640 0.001 0.000 0.196 188 D C 2.495 178.620 176.300 -0.290 0.000 0.985 188 D CA 2.107 56.058 54.000 -0.081 0.000 0.826 188 D CB -0.689 40.139 40.800 0.046 0.000 0.978 188 D HN 0.934 nan 8.370 nan 0.000 0.456 189 A N 0.779 123.396 122.820 -0.338 0.000 1.851 189 A HA 0.210 4.531 4.320 0.001 0.000 0.216 189 A C 2.879 180.284 177.584 -0.299 0.000 1.195 189 A CA 3.235 54.967 52.037 -0.508 0.000 0.622 189 A CB -1.199 17.661 19.000 -0.233 0.000 0.831 189 A HN 1.240 nan 8.150 nan 0.000 0.444 190 A N -0.290 122.406 122.820 -0.206 0.000 1.935 190 A HA -0.165 4.156 4.320 0.001 0.000 0.224 190 A C 2.512 180.020 177.584 -0.126 0.000 1.324 190 A CA 3.994 55.931 52.037 -0.166 0.000 0.686 190 A CB -1.685 17.204 19.000 -0.185 0.000 0.837 190 A HN 1.452 nan 8.150 nan 0.000 0.481 191 V N -1.594 118.246 119.914 -0.124 0.000 2.220 191 V HA -0.329 3.791 4.120 0.001 0.000 0.250 191 V C 2.479 178.525 176.094 -0.080 0.000 1.056 191 V CA 3.054 65.303 62.300 -0.084 0.000 1.016 191 V CB -1.339 30.444 31.823 -0.067 0.000 0.639 191 V HN 0.673 nan 8.190 nan 0.000 0.446 192 Y N 0.071 120.188 120.300 -0.305 0.000 2.014 192 Y HA -0.373 4.178 4.550 0.003 0.000 0.272 192 Y C 3.075 178.876 175.900 -0.166 0.000 1.164 192 Y CA 4.456 62.391 58.100 -0.276 0.000 1.114 192 Y CB -0.221 37.917 38.460 -0.537 0.000 0.961 192 Y HN 0.507 nan 8.280 nan 0.000 0.489 193 M N 0.238 119.776 119.600 -0.103 0.000 2.124 193 M HA -0.249 4.232 4.480 0.001 0.000 0.253 193 M C 2.391 178.605 176.300 -0.142 0.000 1.077 193 M CA 3.375 58.605 55.300 -0.116 0.000 1.085 193 M CB -2.659 29.902 32.600 -0.065 0.000 1.320 193 M HN 0.549 nan 8.290 nan 0.000 0.404 194 I N 0.951 121.453 120.570 -0.112 0.000 2.032 194 I HA -0.090 4.080 4.170 0.001 0.000 0.231 194 I C 2.418 178.464 176.117 -0.118 0.000 1.035 194 I CA 3.910 65.157 61.300 -0.088 0.000 1.312 194 I CB -2.116 35.849 38.000 -0.058 0.000 1.041 194 I HN 0.776 nan 8.210 nan 0.000 0.390 195 D N -0.229 120.089 120.400 -0.137 0.000 2.263 195 D HA 0.125 4.766 4.640 0.001 0.000 0.208 195 D C 1.185 177.368 176.300 -0.194 0.000 0.971 195 D CA 1.625 55.545 54.000 -0.133 0.000 0.867 195 D CB -1.234 39.503 40.800 -0.105 0.000 0.929 195 D HN 1.673 nan 8.370 nan 0.000 0.492 196 H N -0.606 118.272 119.070 -0.321 0.000 2.762 196 H HA 0.616 5.173 4.556 0.001 0.000 0.310 196 H C -2.076 173.103 175.328 -0.249 0.000 1.004 196 H CA -1.441 54.402 56.048 -0.342 0.000 1.267 196 H CB 1.469 30.861 29.762 -0.616 0.000 1.437 196 H HN 0.052 nan 8.280 nan 0.000 0.498 197 P HA -0.081 nan 4.420 nan 0.000 0.208 197 P C 1.096 178.359 177.300 -0.063 0.000 1.203 197 P CA 2.145 65.193 63.100 -0.086 0.000 0.920 197 P CB -0.205 31.459 31.700 -0.060 0.000 0.769 198 T N -1.283 113.244 114.554 -0.045 0.000 2.761 198 T HA 0.513 4.864 4.350 0.001 0.000 0.287 198 T C -0.060 174.639 174.700 -0.001 0.000 0.931 198 T CA -0.549 61.541 62.100 -0.017 0.000 1.164 198 T CB -0.513 68.349 68.868 -0.010 0.000 0.876 198 T HN 0.214 nan 8.240 nan 0.000 0.534 199 A N 2.228 125.065 122.820 0.028 0.000 2.475 199 A HA 0.877 5.198 4.320 0.001 0.000 0.301 199 A C 0.107 177.743 177.584 0.087 0.000 1.059 199 A CA -1.010 51.079 52.037 0.087 0.000 0.710 199 A CB 1.084 20.169 19.000 0.141 0.000 1.288 199 A HN 1.232 nan 8.150 nan 0.000 0.408 200 K N -0.036 120.426 120.400 0.104 0.000 2.185 200 K HA 0.656 4.977 4.320 0.001 0.000 0.271 200 K C 1.105 177.754 176.600 0.082 0.000 1.013 200 K CA 0.135 56.468 56.287 0.077 0.000 0.943 200 K CB 0.024 32.563 32.500 0.065 0.000 0.998 200 K HN 2.022 nan 8.250 nan 0.000 0.468 201 I N 0.761 121.365 120.570 0.057 0.000 2.614 201 I HA -0.033 4.138 4.170 0.001 0.000 0.258 201 I C 2.142 178.288 176.117 0.047 0.000 1.189 201 I CA 2.713 64.044 61.300 0.052 0.000 1.462 201 I CB -1.858 36.163 38.000 0.035 0.000 1.092 201 I HN 0.886 nan 8.210 nan 0.000 0.442 202 D N 0.563 120.987 120.400 0.039 0.000 2.183 202 D HA 0.052 4.693 4.640 0.001 0.000 0.205 202 D C 2.355 178.659 176.300 0.006 0.000 0.962 202 D CA 1.533 55.544 54.000 0.018 0.000 0.849 202 D CB -0.454 40.353 40.800 0.011 0.000 0.978 202 D HN 0.758 nan 8.370 nan 0.000 0.488 203 K N -0.452 119.968 120.400 0.034 0.000 2.305 203 K HA 0.575 4.895 4.320 0.001 0.000 0.199 203 K C 2.390 179.019 176.600 0.048 0.000 1.047 203 K CA 1.212 57.504 56.287 0.008 0.000 0.976 203 K CB -1.099 31.443 32.500 0.070 0.000 0.765 203 K HN 1.018 nan 8.250 nan 0.000 0.474 204 L N -1.206 120.109 121.223 0.153 0.000 2.416 204 L HA 0.508 4.849 4.340 0.001 0.000 0.216 204 L C 3.064 180.086 176.870 0.252 0.000 1.098 204 L CA 1.779 56.803 54.840 0.307 0.000 0.840 204 L CB -1.663 40.516 42.059 0.200 0.000 0.981 204 L HN 0.642 nan 8.230 nan 0.000 0.462 205 M N -0.070 119.583 119.600 0.089 0.000 2.460 205 M HA 0.137 4.617 4.480 0.001 0.000 0.263 205 M C 2.282 178.558 176.300 -0.040 0.000 1.071 205 M CA 2.322 57.642 55.300 0.033 0.000 1.096 205 M CB -2.187 30.417 32.600 0.007 0.000 1.408 205 M HN 0.948 nan 8.290 nan 0.000 0.463 206 E N -0.117 119.987 120.200 -0.160 0.000 2.219 206 E HA -0.161 4.190 4.350 0.001 0.000 0.198 206 E C 1.577 177.902 176.600 -0.460 0.000 0.998 206 E CA 1.924 58.093 56.400 -0.385 0.000 0.818 206 E CB -1.226 28.088 29.700 -0.643 0.000 0.741 206 E HN 0.944 nan 8.360 nan 0.000 0.477 207 F N -0.993 118.896 119.950 -0.101 0.000 2.446 207 F HA 0.421 4.947 4.527 -0.001 0.000 0.292 207 F C 1.842 177.603 175.800 -0.066 0.000 1.096 207 F CA 0.862 58.809 58.000 -0.088 0.000 1.438 207 F CB 0.649 39.591 39.000 -0.096 0.000 1.107 207 F HN 0.247 nan 8.300 nan 0.000 0.546 208 L N 0.212 121.505 121.223 0.116 0.000 2.581 208 L HA 0.545 4.886 4.340 0.001 0.000 0.241 208 L C -1.873 175.002 176.870 0.008 0.000 1.265 208 L CA -1.363 53.502 54.840 0.042 0.000 0.954 208 L CB -0.746 41.331 42.059 0.030 0.000 1.269 208 L HN -0.194 nan 8.230 nan 0.000 0.475 209 P HA 0.034 nan 4.420 nan 0.000 0.219 209 P C 0.935 178.231 177.300 -0.007 0.000 1.144 209 P CA 1.816 64.906 63.100 -0.018 0.000 0.806 209 P CB 0.334 32.020 31.700 -0.023 0.000 0.771 210 G N -2.459 106.334 108.800 -0.012 0.000 2.328 210 G HA2 0.377 4.338 3.960 0.001 0.000 0.295 210 G HA3 0.377 4.338 3.960 0.001 0.000 0.295 210 G C -3.367 171.498 174.900 -0.058 0.000 1.413 210 G CA -0.906 44.186 45.100 -0.014 0.000 0.817 210 G HN -0.336 nan 8.290 nan 0.000 0.546 211 P HA 0.442 nan 4.420 nan 0.000 0.271 211 P C -0.100 176.989 177.300 -0.352 0.000 1.226 211 P CA 0.439 63.373 63.100 -0.277 0.000 0.765 211 P CB 0.514 31.984 31.700 -0.383 0.000 0.835 212 D N 3.333 123.542 120.400 -0.319 0.000 2.277 212 D HA 0.376 5.017 4.640 0.001 0.000 0.249 212 D C -0.517 175.535 176.300 -0.414 0.000 1.134 212 D CA -0.352 53.509 54.000 -0.233 0.000 0.863 212 D CB -0.077 40.660 40.800 -0.105 0.000 1.143 212 D HN 0.199 nan 8.370 nan 0.000 0.458 213 F N 1.724 121.684 119.950 0.017 0.000 2.425 213 F HA 0.410 4.938 4.527 0.002 0.000 0.331 213 F C -0.787 175.035 175.800 0.036 0.000 1.085 213 F CA -1.965 56.050 58.000 0.026 0.000 1.028 213 F CB 2.047 41.063 39.000 0.027 0.000 1.177 213 F HN 0.237 nan 8.300 nan 0.000 0.487 214 P HA -0.178 nan 4.420 nan 0.000 0.216 214 P C 0.691 178.088 177.300 0.162 0.000 1.154 214 P CA 2.006 65.206 63.100 0.166 0.000 0.865 214 P CB -0.286 31.531 31.700 0.195 0.000 0.789 215 T N -1.493 113.173 114.554 0.188 0.000 3.218 215 T HA 0.488 4.839 4.350 0.001 0.000 0.241 215 T C 1.419 176.195 174.700 0.125 0.000 0.929 215 T CA 0.043 62.214 62.100 0.119 0.000 0.979 215 T CB -0.732 68.180 68.868 0.072 0.000 1.129 215 T HN 0.048 nan 8.240 nan 0.000 0.559 216 G N 1.665 110.572 108.800 0.177 0.000 2.806 216 G HA2 0.182 4.143 3.960 0.001 0.000 0.214 216 G HA3 0.182 4.143 3.960 0.001 0.000 0.214 216 G C 1.485 176.453 174.900 0.114 0.000 1.331 216 G CA 2.266 47.489 45.100 0.205 0.000 0.807 216 G HN 1.735 nan 8.290 nan 0.000 0.644 217 A N -1.757 121.112 122.820 0.083 0.000 4.704 217 A HA 0.185 4.506 4.320 0.001 0.000 0.304 217 A C 0.956 178.579 177.584 0.066 0.000 2.046 217 A CA 3.092 55.165 52.037 0.060 0.000 0.733 217 A CB -1.531 17.494 19.000 0.040 0.000 1.269 217 A HN 2.350 nan 8.150 nan 0.000 0.382 218 I N -1.197 119.411 120.570 0.063 0.000 2.571 218 I HA 0.916 5.086 4.170 0.001 0.000 0.289 218 I C -0.098 176.055 176.117 0.060 0.000 1.115 218 I CA 0.053 61.393 61.300 0.067 0.000 1.045 218 I CB 0.869 38.919 38.000 0.082 0.000 1.238 218 I HN 2.294 nan 8.210 nan 0.000 0.424 219 I N 3.258 123.873 120.570 0.074 0.000 2.447 219 I HA 0.908 5.079 4.170 0.001 0.000 0.287 219 I C -0.584 175.569 176.117 0.061 0.000 1.023 219 I CA -1.077 60.267 61.300 0.074 0.000 1.083 219 I CB 1.243 39.324 38.000 0.134 0.000 1.245 219 I HN 1.044 nan 8.210 nan 0.000 0.434 220 Q N 4.024 123.853 119.800 0.048 0.000 2.316 220 Q HA 0.728 5.069 4.340 0.001 0.000 0.264 220 Q C 0.067 176.089 176.000 0.037 0.000 0.987 220 Q CA -0.132 55.697 55.803 0.044 0.000 0.852 220 Q CB 1.788 30.556 28.738 0.050 0.000 1.287 220 Q HN 2.048 nan 8.270 nan 0.000 0.448 221 G N 1.361 110.180 108.800 0.033 0.000 2.596 221 G HA2 0.019 3.980 3.960 0.001 0.000 0.233 221 G HA3 0.019 3.980 3.960 0.001 0.000 0.233 221 G C 0.239 175.153 174.900 0.024 0.000 2.234 221 G CA 0.053 45.169 45.100 0.028 0.000 0.878 221 G HN 0.747 nan 8.290 nan 0.000 0.491 222 R N -0.475 120.037 120.500 0.019 0.000 2.070 222 R HA 0.126 4.467 4.340 0.001 0.000 0.233 222 R C 2.228 178.535 176.300 0.011 0.000 1.137 222 R CA 2.814 58.922 56.100 0.013 0.000 0.945 222 R CB -1.550 28.755 30.300 0.008 0.000 0.845 222 R HN 1.299 nan 8.270 nan 0.000 0.430 223 D N -0.769 119.638 120.400 0.011 0.000 2.269 223 D HA 0.094 4.735 4.640 0.001 0.000 0.208 223 D C 2.155 178.463 176.300 0.013 0.000 0.963 223 D CA 1.643 55.649 54.000 0.010 0.000 0.864 223 D CB -0.390 40.415 40.800 0.009 0.000 0.936 223 D HN 0.771 nan 8.370 nan 0.000 0.505 224 E N -0.279 119.930 120.200 0.016 0.000 2.072 224 E HA 0.221 4.572 4.350 0.001 0.000 0.190 224 E C 2.504 179.116 176.600 0.020 0.000 0.982 224 E CA 1.632 58.042 56.400 0.018 0.000 0.803 224 E CB -1.242 28.470 29.700 0.020 0.000 0.755 224 E HN 1.103 nan 8.360 nan 0.000 0.453 225 I N 1.670 122.253 120.570 0.022 0.000 2.202 225 I HA 0.085 4.256 4.170 0.001 0.000 0.242 225 I C 3.004 179.131 176.117 0.017 0.000 1.091 225 I CA 3.184 64.497 61.300 0.022 0.000 1.368 225 I CB -1.941 36.074 38.000 0.024 0.000 1.058 225 I HN 0.660 nan 8.210 nan 0.000 0.410 226 K N 0.860 121.268 120.400 0.014 0.000 2.034 226 K HA -0.287 4.034 4.320 0.001 0.000 0.214 226 K C 2.552 179.160 176.600 0.014 0.000 1.051 226 K CA 3.453 59.747 56.287 0.012 0.000 0.931 226 K CB -1.759 30.746 32.500 0.008 0.000 0.715 226 K HN 1.056 nan 8.250 nan 0.000 0.446 227 K N 0.208 120.616 120.400 0.013 0.000 2.097 227 K HA 0.383 4.704 4.320 0.001 0.000 0.205 227 K C 2.652 179.260 176.600 0.015 0.000 1.050 227 K CA 1.637 57.932 56.287 0.014 0.000 0.938 227 K CB -1.104 31.404 32.500 0.013 0.000 0.718 227 K HN 0.884 nan 8.250 nan 0.000 0.442 228 A N -0.292 122.537 122.820 0.016 0.000 2.070 228 A HA 0.123 4.443 4.320 0.001 0.000 0.220 228 A C 2.555 180.148 177.584 0.015 0.000 1.159 228 A CA 1.926 53.973 52.037 0.016 0.000 0.656 228 A CB -1.074 17.938 19.000 0.020 0.000 0.800 228 A HN 1.168 nan 8.150 nan 0.000 0.453 229 Y N -1.164 119.145 120.300 0.015 0.000 2.509 229 Y HA 0.070 4.620 4.550 0.001 0.000 0.293 229 Y C 2.096 178.004 175.900 0.014 0.000 1.133 229 Y CA 2.002 60.110 58.100 0.014 0.000 1.283 229 Y CB -0.255 38.215 38.460 0.016 0.000 1.001 229 Y HN 0.516 nan 8.280 nan 0.000 0.555 230 E N -1.101 119.107 120.200 0.015 0.000 2.330 230 E HA 0.099 4.450 4.350 0.001 0.000 0.200 230 E C 2.193 178.801 176.600 0.012 0.000 0.922 230 E CA 1.269 57.678 56.400 0.014 0.000 0.935 230 E CB -0.314 29.396 29.700 0.015 0.000 0.917 230 E HN 0.543 nan 8.360 nan 0.000 0.491 231 T N -0.583 113.978 114.554 0.013 0.000 2.951 231 T HA 0.308 4.659 4.350 0.001 0.000 0.268 231 T C 1.218 175.925 174.700 0.012 0.000 1.073 231 T CA 1.165 63.272 62.100 0.012 0.000 1.134 231 T CB -0.723 68.153 68.868 0.013 0.000 0.884 231 T HN 0.428 nan 8.240 nan 0.000 0.479 235 R N -1.800 118.713 120.500 0.021 0.000 2.535 235 R HA 1.012 5.352 4.340 0.001 0.000 0.274 235 R C -0.119 176.195 176.300 0.023 0.000 1.090 235 R CA 0.496 56.608 56.100 0.020 0.000 0.930 235 R CB 0.605 30.912 30.300 0.012 0.000 1.223 235 R HN 2.347 nan 8.270 nan 0.000 0.441 236 V N 0.109 120.040 119.914 0.028 0.000 5.513 236 V HA 1.026 5.147 4.120 0.001 0.000 0.275 236 V C 0.859 176.962 176.094 0.015 0.000 1.497 236 V CA 0.060 62.380 62.300 0.033 0.000 0.708 236 V CB 0.572 32.433 31.823 0.063 0.000 1.382 236 V HN 2.079 nan 8.190 nan 0.000 0.411 237 V N -2.448 117.475 119.914 0.015 0.000 3.204 237 V HA 0.925 5.045 4.120 0.001 0.000 0.298 237 V C -0.720 175.358 176.094 -0.026 0.000 1.328 237 V CA -0.372 61.920 62.300 -0.014 0.000 1.035 237 V CB 1.300 33.123 31.823 -0.000 0.000 1.095 237 V HN 2.417 nan 8.190 nan 0.000 0.442 238 V N 0.942 120.808 119.914 -0.080 0.000 2.752 238 V HA 1.054 5.174 4.120 0.001 0.000 0.302 238 V C -0.388 175.608 176.094 -0.164 0.000 1.133 238 V CA -0.247 61.989 62.300 -0.106 0.000 0.919 238 V CB 1.333 33.046 31.823 -0.183 0.000 1.026 238 V HN 2.236 nan 8.190 nan 0.000 0.429 239 R N 2.845 123.277 120.500 -0.113 0.000 2.832 239 R HA 1.033 5.374 4.340 0.001 0.000 0.271 239 R C 0.473 176.724 176.300 -0.082 0.000 0.996 239 R CA 0.119 56.117 56.100 -0.171 0.000 0.977 239 R CB 1.007 31.347 30.300 0.066 0.000 1.168 239 R HN 2.625 nan 8.270 nan 0.000 0.482 240 S N 0.084 115.730 115.700 -0.089 0.000 2.617 240 S HA 0.531 5.001 4.470 0.001 0.000 0.259 240 S C 0.880 175.513 174.600 0.057 0.000 1.301 240 S CA 0.205 58.395 58.200 -0.016 0.000 0.984 240 S CB 0.047 63.242 63.200 -0.009 0.000 0.954 240 S HN 1.468 nan 8.310 nan 0.000 0.572 241 K N 1.255 121.676 120.400 0.034 0.000 2.187 241 K HA 0.603 4.924 4.320 0.001 0.000 0.242 241 K C 0.320 176.948 176.600 0.046 0.000 1.179 241 K CA 0.143 56.454 56.287 0.040 0.000 1.097 241 K CB -1.043 31.469 32.500 0.019 0.000 1.634 241 K HN 1.229 nan 8.250 nan 0.000 0.335 242 T N 0.119 114.717 114.554 0.074 0.000 2.907 242 T HA 0.679 5.030 4.350 0.001 0.000 0.284 242 T C 0.274 174.995 174.700 0.034 0.000 1.004 242 T CA 0.152 62.292 62.100 0.066 0.000 1.063 242 T CB 0.533 69.467 68.868 0.109 0.000 0.992 242 T HN 0.868 nan 8.240 nan 0.000 0.483 243 E N -0.342 119.869 120.200 0.020 0.000 2.248 243 E HA 0.743 5.094 4.350 0.001 0.000 0.267 243 E C -0.622 175.977 176.600 -0.001 0.000 0.877 243 E CA -0.358 56.047 56.400 0.007 0.000 0.759 243 E CB 1.096 30.799 29.700 0.005 0.000 1.182 243 E HN 1.713 nan 8.360 nan 0.000 0.418 244 I N 0.168 120.734 120.570 -0.007 0.000 2.355 244 I HA 0.963 5.134 4.170 0.001 0.000 0.288 244 I C 0.082 176.193 176.117 -0.010 0.000 0.999 244 I CA 0.061 61.354 61.300 -0.012 0.000 1.163 244 I CB 0.189 38.177 38.000 -0.019 0.000 1.316 244 I HN 1.295 nan 8.210 nan 0.000 0.454 245 E N 3.433 123.627 120.200 -0.009 0.000 2.437 245 E HA 0.930 5.281 4.350 0.001 0.000 0.280 245 E C -0.483 176.113 176.600 -0.008 0.000 1.044 245 E CA -0.366 56.029 56.400 -0.008 0.000 0.826 245 E CB 0.952 30.648 29.700 -0.006 0.000 1.358 245 E HN 2.132 nan 8.360 nan 0.000 0.459 246 K N -0.054 120.342 120.400 -0.007 0.000 2.307 246 K HA 0.917 5.238 4.320 0.001 0.000 0.263 246 K C 0.525 177.121 176.600 -0.006 0.000 0.973 246 K CA -0.046 56.237 56.287 -0.007 0.000 0.846 246 K CB 0.342 32.837 32.500 -0.007 0.000 1.100 246 K HN 2.001 nan 8.250 nan 0.000 0.438 247 L N 0.551 121.770 121.223 -0.006 0.000 2.671 247 L HA 0.941 5.282 4.340 0.001 0.000 0.188 247 L C 1.154 178.021 176.870 -0.005 0.000 1.165 247 L CA 0.014 54.850 54.840 -0.005 0.000 0.926 247 L CB -0.951 41.105 42.059 -0.005 0.000 1.664 247 L HN 1.200 nan 8.230 nan 0.000 0.512 248 K N -1.192 119.205 120.400 -0.005 0.000 2.098 248 K HA 0.638 4.959 4.320 0.001 0.000 0.261 248 K C 1.370 177.967 176.600 -0.004 0.000 0.987 248 K CA 0.336 56.620 56.287 -0.004 0.000 0.916 248 K CB 0.436 32.933 32.500 -0.004 0.000 1.039 248 K HN 2.800 nan 8.250 nan 0.000 0.455 249 G N -0.762 108.036 108.800 -0.004 0.000 2.234 249 G HA2 0.196 4.157 3.960 0.001 0.000 0.260 249 G HA3 0.196 4.157 3.960 0.001 0.000 0.260 249 G C 1.290 176.188 174.900 -0.004 0.000 0.987 249 G CA 1.070 46.168 45.100 -0.004 0.000 0.625 249 G HN 2.544 nan 8.290 nan 0.000 0.532 250 G N -1.842 106.955 108.800 -0.005 0.000 2.842 250 G HA2 0.548 4.509 3.960 0.001 0.000 0.242 250 G HA3 0.548 4.509 3.960 0.001 0.000 0.242 250 G C -0.097 174.800 174.900 -0.005 0.000 1.135 250 G CA 1.175 46.272 45.100 -0.005 0.000 1.048 250 G HN 2.248 nan 8.290 nan 0.000 0.530 251 K N -1.457 118.939 120.400 -0.006 0.000 2.495 251 K HA 1.076 5.397 4.320 0.001 0.000 0.268 251 K C -0.054 176.542 176.600 -0.007 0.000 1.008 251 K CA 0.603 56.886 56.287 -0.006 0.000 0.882 251 K CB 0.668 33.164 32.500 -0.005 0.000 1.443 251 K HN 1.910 nan 8.250 nan 0.000 0.447 252 E N 0.023 120.219 120.200 -0.007 0.000 2.289 252 E HA 0.524 4.874 4.350 0.001 0.000 0.278 252 E C 0.256 176.852 176.600 -0.007 0.000 1.032 252 E CA 0.021 56.416 56.400 -0.008 0.000 0.854 252 E CB 0.654 30.348 29.700 -0.009 0.000 1.046 252 E HN 1.399 nan 8.360 nan 0.000 0.409 253 Q N -0.084 119.711 119.800 -0.007 0.000 2.798 253 Q HA 0.613 4.954 4.340 0.001 0.000 0.250 253 Q C -0.245 175.752 176.000 -0.005 0.000 1.006 253 Q CA 0.131 55.930 55.803 -0.006 0.000 0.759 253 Q CB 0.020 28.755 28.738 -0.006 0.000 1.201 253 Q HN 1.929 nan 8.270 nan 0.000 0.486 254 I N 0.259 120.827 120.570 -0.004 0.000 2.405 254 I HA 0.949 5.119 4.170 0.001 0.000 0.280 254 I C 0.104 176.224 176.117 0.004 0.000 1.027 254 I CA -0.544 60.755 61.300 -0.001 0.000 1.161 254 I CB 0.541 38.538 38.000 -0.004 0.000 1.300 254 I HN 1.158 nan 8.210 nan 0.000 0.463 255 V N 3.711 123.628 119.914 0.004 0.000 3.164 255 V HA 0.959 5.079 4.120 0.001 0.000 0.313 255 V C 0.229 176.328 176.094 0.008 0.000 1.188 255 V CA -0.460 61.843 62.300 0.005 0.000 1.058 255 V CB 1.626 33.448 31.823 -0.002 0.000 1.110 255 V HN 2.117 nan 8.190 nan 0.000 0.453 256 I N 0.737 121.308 120.570 0.003 0.000 2.525 256 I HA 0.774 4.945 4.170 0.001 0.000 0.301 256 I C 0.862 176.973 176.117 -0.010 0.000 0.992 256 I CA -0.314 60.987 61.300 0.002 0.000 1.162 256 I CB 1.211 39.210 38.000 -0.002 0.000 1.332 256 I HN 1.267 nan 8.210 nan 0.000 0.458 263 I N -0.980 119.567 120.570 -0.039 0.000 4.608 263 I HA 0.966 5.136 4.170 0.001 0.000 0.200 263 I C 0.760 176.899 176.117 0.036 0.000 1.188 263 I CA -0.367 60.914 61.300 -0.031 0.000 1.539 263 I CB 0.390 38.347 38.000 -0.072 0.000 1.388 263 I HN 1.486 nan 8.210 nan 0.000 0.463 264 N N -0.338 118.367 118.700 0.009 0.000 2.578 264 N HA 0.643 5.383 4.740 0.001 0.000 0.282 264 N C 0.034 175.530 175.510 -0.024 0.000 1.119 264 N CA 0.494 53.560 53.050 0.027 0.000 0.948 264 N CB 0.758 39.273 38.487 0.048 0.000 1.546 264 N HN 1.571 nan 8.380 nan 0.000 0.525 265 K N -0.514 119.847 120.400 -0.065 0.000 2.525 265 K HA 0.584 4.904 4.320 0.001 0.000 0.192 265 K C 2.033 178.598 176.600 -0.059 0.000 1.029 265 K CA 1.537 57.773 56.287 -0.085 0.000 1.029 265 K CB -0.528 31.887 32.500 -0.143 0.000 0.814 265 K HN 1.414 nan 8.250 nan 0.000 0.503 266 A N 0.507 123.307 122.820 -0.033 0.000 1.968 266 A HA 0.014 4.335 4.320 0.001 0.000 0.217 266 A C 2.196 179.771 177.584 -0.015 0.000 1.169 266 A CA 1.841 53.868 52.037 -0.016 0.000 0.638 266 A CB -0.465 18.540 19.000 0.010 0.000 0.812 266 A HN 0.764 nan 8.150 nan 0.000 0.446 267 N N -1.633 117.057 118.700 -0.016 0.000 2.181 267 N HA 0.417 5.157 4.740 0.001 0.000 0.207 267 N C 1.504 177.001 175.510 -0.021 0.000 1.182 267 N CA 0.918 53.960 53.050 -0.015 0.000 0.893 267 N CB -0.467 38.014 38.487 -0.010 0.000 1.032 267 N HN 0.725 nan 8.380 nan 0.000 0.513 268 L N -0.356 120.850 121.223 -0.029 0.000 2.375 268 L HA 0.367 4.708 4.340 0.001 0.000 0.215 268 L C 2.644 179.497 176.870 -0.029 0.000 1.108 268 L CA 1.141 55.962 54.840 -0.032 0.000 0.830 268 L CB -1.088 40.945 42.059 -0.042 0.000 0.959 268 L HN 0.360 nan 8.230 nan 0.000 0.457 269 V N 0.911 120.806 119.914 -0.031 0.000 2.295 269 V HA -0.240 3.880 4.120 0.001 0.000 0.246 269 V C 3.261 179.343 176.094 -0.020 0.000 1.049 269 V CA 2.682 64.966 62.300 -0.028 0.000 1.024 269 V CB -1.218 30.586 31.823 -0.031 0.000 0.648 269 V HN 0.782 nan 8.190 nan 0.000 0.447 270 K N 0.197 120.587 120.400 -0.017 0.000 2.243 270 K HA 0.031 4.352 4.320 0.001 0.000 0.201 270 K C 2.273 178.867 176.600 -0.011 0.000 1.051 270 K CA 1.469 57.749 56.287 -0.012 0.000 0.970 270 K CB -0.890 31.604 32.500 -0.010 0.000 0.755 270 K HN 0.607 nan 8.250 nan 0.000 0.465 271 K N 0.500 120.893 120.400 -0.013 0.000 2.057 271 K HA 0.219 4.539 4.320 0.001 0.000 0.206 271 K C 2.659 179.254 176.600 -0.008 0.000 1.050 271 K CA 1.816 58.096 56.287 -0.011 0.000 0.935 271 K CB -1.661 30.829 32.500 -0.016 0.000 0.715 271 K HN 0.813 nan 8.250 nan 0.000 0.439 272 I N 1.911 122.476 120.570 -0.009 0.000 2.091 272 I HA -0.187 3.983 4.170 0.001 0.000 0.239 272 I C 2.569 178.684 176.117 -0.003 0.000 1.061 272 I CA 3.275 64.573 61.300 -0.004 0.000 1.317 272 I CB -1.879 36.117 38.000 -0.005 0.000 1.031 272 I HN 0.710 nan 8.210 nan 0.000 0.401 273 D N 0.266 120.663 120.400 -0.005 0.000 2.378 273 D HA 0.122 4.763 4.640 0.001 0.000 0.222 273 D C 1.808 178.106 176.300 -0.003 0.000 0.980 273 D CA 1.894 55.891 54.000 -0.004 0.000 0.907 273 D CB -1.386 39.410 40.800 -0.006 0.000 0.899 273 D HN 0.873 nan 8.370 nan 0.000 0.527 274 D N -0.318 120.080 120.400 -0.003 0.000 2.123 274 D HA 0.205 4.845 4.640 0.001 0.000 0.200 274 D C 2.604 178.904 176.300 -0.000 0.000 0.976 274 D CA 1.985 55.984 54.000 -0.002 0.000 0.831 274 D CB -0.931 39.867 40.800 -0.003 0.000 0.974 274 D HN 0.759 nan 8.370 nan 0.000 0.469 275 V N 0.794 120.709 119.914 0.001 0.000 2.317 275 V HA -0.039 4.082 4.120 0.001 0.000 0.251 275 V C 2.894 178.990 176.094 0.002 0.000 1.065 275 V CA 4.204 66.505 62.300 0.003 0.000 1.049 275 V CB -1.471 30.356 31.823 0.007 0.000 0.651 275 V HN 0.703 nan 8.190 nan 0.000 0.450 276 R N -0.521 119.979 120.500 0.001 0.000 2.090 276 R HA 0.263 4.603 4.340 0.001 0.000 0.228 276 R C 2.503 178.803 176.300 -0.000 0.000 1.110 276 R CA 2.364 58.465 56.100 0.000 0.000 0.973 276 R CB -1.687 28.613 30.300 -0.000 0.000 0.869 276 R HN 1.403 nan 8.270 nan 0.000 0.440 277 V N 0.188 120.102 119.914 -0.001 0.000 2.515 277 V HA -0.069 4.051 4.120 0.001 0.000 0.250 277 V C 2.105 178.199 176.094 -0.000 0.000 1.058 277 V CA 2.672 64.971 62.300 -0.001 0.000 1.064 277 V CB -1.303 30.520 31.823 -0.001 0.000 0.675 277 V HN 0.755 nan 8.190 nan 0.000 0.461 278 N N -0.102 118.598 118.700 0.000 0.000 2.230 278 N HA 0.282 5.022 4.740 0.001 0.000 0.202 278 N C 1.023 176.533 175.510 0.001 0.000 1.119 278 N CA 1.466 54.517 53.050 0.001 0.000 0.851 278 N CB -0.879 37.609 38.487 0.001 0.000 0.990 278 N HN 1.860 nan 8.380 nan 0.000 0.497 279 N N -0.996 117.705 118.700 0.001 0.000 2.698 279 N HA -0.045 4.696 4.740 0.001 0.000 0.258 279 N C 0.603 176.114 175.510 0.002 0.000 0.978 279 N CA 1.665 54.715 53.050 0.001 0.000 0.777 279 N CB -2.521 35.966 38.487 0.001 0.000 0.907 279 N HN 1.412 nan 8.380 nan 0.000 0.543 280 K N -1.477 118.925 120.400 0.003 0.000 3.045 280 K HA 0.858 5.179 4.320 0.001 0.000 0.211 280 K C 0.427 177.030 176.600 0.005 0.000 1.141 280 K CA 1.048 57.337 56.287 0.004 0.000 1.036 280 K CB -0.260 32.242 32.500 0.004 0.000 0.851 280 K HN 2.292 nan 8.250 nan 0.000 0.462 301 E N 0.482 120.680 120.200 -0.003 0.000 2.354 301 E HA 0.861 5.212 4.350 0.001 0.000 0.252 301 E C 0.146 176.744 176.600 -0.004 0.000 1.330 301 E CA 0.707 57.105 56.400 -0.004 0.000 1.658 301 E CB -0.327 29.370 29.700 -0.005 0.000 1.460 301 E HN 2.370 nan 8.360 nan 0.000 0.435 309 E N 1.478 121.659 120.200 -0.031 0.000 2.358 309 E HA 0.412 4.763 4.350 0.001 0.000 0.195 309 E C 2.614 179.182 176.600 -0.054 0.000 1.010 309 E CA 1.666 58.039 56.400 -0.046 0.000 0.856 309 E CB -0.956 28.712 29.700 -0.055 0.000 0.795 309 E HN 1.868 nan 8.360 nan 0.000 0.504 310 L N 0.342 121.541 121.223 -0.039 0.000 2.191 310 L HA 0.284 4.624 4.340 0.001 0.000 0.212 310 L C 3.183 180.039 176.870 -0.022 0.000 1.103 310 L CA 2.503 57.323 54.840 -0.033 0.000 0.769 310 L CB -1.741 40.306 42.059 -0.022 0.000 0.908 310 L HN 0.644 nan 8.230 nan 0.000 0.438 311 V N -1.011 118.892 119.914 -0.018 0.000 2.307 311 V HA -0.005 4.115 4.120 0.001 0.000 0.245 311 V C 2.988 179.084 176.094 0.004 0.000 1.045 311 V CA 3.707 66.004 62.300 -0.005 0.000 1.024 311 V CB -1.101 30.720 31.823 -0.005 0.000 0.651 311 V HN 1.007 nan 8.190 nan 0.000 0.449 312 L N 0.542 121.759 121.223 -0.010 0.000 2.127 312 L HA -0.184 4.156 4.340 0.001 0.000 0.211 312 L C 2.531 179.417 176.870 0.028 0.000 1.089 312 L CA 3.586 58.428 54.840 0.004 0.000 0.757 312 L CB -2.776 39.258 42.059 -0.041 0.000 0.899 312 L HN 0.881 nan 8.230 nan 0.000 0.434 313 N N -1.607 117.081 118.700 -0.020 0.000 2.223 313 N HA -0.175 4.566 4.740 0.001 0.000 0.185 313 N C 2.171 177.734 175.510 0.090 0.000 1.016 313 N CA 2.628 55.682 53.050 0.006 0.000 0.863 313 N CB -1.119 37.347 38.487 -0.035 0.000 0.983 313 N HN 1.183 nan 8.380 nan 0.000 0.429 314 Y N -0.349 119.987 120.300 0.059 0.000 2.133 314 Y HA 0.263 4.814 4.550 0.001 0.000 0.287 314 Y C 3.467 179.412 175.900 0.074 0.000 1.134 314 Y CA 2.444 60.577 58.100 0.056 0.000 1.133 314 Y CB -1.126 37.353 38.460 0.032 0.000 0.987 314 Y HN 0.666 nan 8.280 nan 0.000 0.502 315 L N -1.267 120.005 121.223 0.083 0.000 2.201 315 L HA 0.110 4.451 4.340 0.001 0.000 0.212 315 L C 2.277 179.213 176.870 0.111 0.000 1.105 315 L CA 1.949 56.836 54.840 0.077 0.000 0.775 315 L CB -1.831 40.268 42.059 0.067 0.000 0.913 315 L HN 0.743 nan 8.230 nan 0.000 0.440 316 F N 0.874 120.817 119.950 -0.012 0.000 2.795 316 F HA 0.327 4.855 4.527 0.001 0.000 0.303 316 F C 1.756 177.549 175.800 -0.013 0.000 1.186 316 F CA 1.254 59.247 58.000 -0.013 0.000 1.415 316 F CB -0.369 38.624 39.000 -0.011 0.000 1.106 316 F HN 0.310 nan 8.300 nan 0.000 0.558 317 K N -2.022 118.418 120.400 0.066 0.000 2.613 317 K HA 0.283 4.604 4.320 0.001 0.000 0.209 317 K C 0.653 177.249 176.600 -0.005 0.000 1.556 317 K CA 0.535 56.828 56.287 0.010 0.000 1.017 317 K CB -1.317 31.223 32.500 0.066 0.000 1.291 317 K HN 0.295 nan 8.250 nan 0.000 0.629 318 Y N -0.388 119.915 120.300 0.006 0.000 2.512 318 Y HA 0.542 5.092 4.550 0.001 0.000 0.268 318 Y C 2.503 178.397 175.900 -0.010 0.000 1.102 318 Y CA 1.390 59.489 58.100 -0.000 0.000 1.261 318 Y CB 0.081 38.548 38.460 0.012 0.000 1.250 318 Y HN 0.418 nan 8.280 nan 0.000 0.506 319 T N -0.350 114.199 114.554 -0.009 0.000 3.169 319 T HA 0.343 4.693 4.350 0.001 0.000 0.250 319 T C 1.120 175.800 174.700 -0.034 0.000 1.111 319 T CA 1.541 63.633 62.100 -0.013 0.000 1.010 319 T CB -1.694 67.174 68.868 -0.000 0.000 0.984 319 T HN 1.628 nan 8.240 nan 0.000 0.537 320 D N -2.324 118.045 120.400 -0.052 0.000 3.041 320 D HA 0.090 4.730 4.640 0.001 0.000 0.220 320 D C 1.265 177.507 176.300 -0.095 0.000 1.157 320 D CA 1.113 55.071 54.000 -0.071 0.000 0.876 320 D CB -2.435 38.334 40.800 -0.051 0.000 1.107 320 D HN 1.381 nan 8.370 nan 0.000 0.422 321 L N -3.301 117.855 121.223 -0.112 0.000 2.607 321 L HA 0.847 5.188 4.340 0.001 0.000 0.228 321 L C 2.110 178.825 176.870 -0.258 0.000 1.123 321 L CA 2.227 56.990 54.840 -0.129 0.000 0.890 321 L CB -0.783 41.238 42.059 -0.063 0.000 1.103 321 L HN 1.927 nan 8.230 nan 0.000 0.468 322 Q N -1.031 118.571 119.800 -0.330 0.000 2.855 322 Q HA 0.709 5.050 4.340 0.001 0.000 0.297 322 Q C 0.140 175.956 176.000 -0.307 0.000 0.740 322 Q CA 0.722 56.239 55.803 -0.476 0.000 1.027 322 Q CB -1.174 26.913 28.738 -1.086 0.000 1.482 322 Q HN 1.701 nan 8.270 nan 0.000 0.373 323 I N -0.350 120.096 120.570 -0.206 0.000 2.590 323 I HA 0.760 4.930 4.170 0.001 0.000 0.167 323 I C 1.352 177.387 176.117 -0.137 0.000 1.434 323 I CA 0.951 62.164 61.300 -0.144 0.000 0.559 323 I CB -1.217 36.716 38.000 -0.112 0.000 1.902 323 I HN 2.243 nan 8.210 nan 0.000 1.069 324 N N -3.627 115.008 118.700 -0.110 0.000 5.327 324 N HA 0.435 5.176 4.740 0.001 0.000 0.365 324 N C -0.354 175.109 175.510 -0.079 0.000 1.191 324 N CA 1.045 54.029 53.050 -0.110 0.000 2.668 324 N CB -1.791 36.587 38.487 -0.181 0.000 0.533 324 N HN 2.713 nan 8.380 nan 0.000 0.758 325 Y N -2.134 118.138 120.300 -0.048 0.000 2.686 325 Y HA 0.967 5.517 4.550 0.001 0.000 0.330 325 Y C 0.710 176.609 175.900 -0.003 0.000 1.082 325 Y CA 0.901 58.976 58.100 -0.041 0.000 1.158 325 Y CB 0.040 38.489 38.460 -0.019 0.000 1.333 325 Y HN 2.309 nan 8.280 nan 0.000 0.519 326 N N -1.377 117.331 118.700 0.013 0.000 2.457 326 N HA 0.914 5.655 4.740 0.001 0.000 0.290 326 N C -0.914 174.625 175.510 0.049 0.000 1.232 326 N CA -0.323 52.743 53.050 0.026 0.000 0.852 326 N CB 1.563 40.059 38.487 0.016 0.000 1.313 326 N HN 2.214 nan 8.380 nan 0.000 0.522 327 F N -1.486 118.489 119.950 0.041 0.000 2.581 327 F HA 0.779 5.307 4.527 0.001 0.000 0.311 327 F C 0.229 176.047 175.800 0.029 0.000 1.113 327 F CA -0.301 57.725 58.000 0.044 0.000 0.935 327 F CB 0.876 39.904 39.000 0.046 0.000 1.232 327 F HN 1.322 nan 8.300 nan 0.000 0.445 328 N N 0.753 119.469 118.700 0.026 0.000 2.711 328 N HA 0.660 5.401 4.740 0.001 0.000 0.263 328 N C -0.134 175.385 175.510 0.015 0.000 1.667 328 N CA 0.138 53.199 53.050 0.019 0.000 0.785 328 N CB 0.628 39.125 38.487 0.017 0.000 1.231 328 N HN 2.241 nan 8.380 nan 0.000 0.503 329 M N 0.971 120.579 119.600 0.014 0.000 2.574 329 M HA 0.630 5.110 4.480 0.001 0.000 0.349 329 M C 0.513 176.817 176.300 0.008 0.000 1.735 329 M CA 0.225 55.531 55.300 0.010 0.000 1.178 329 M CB -1.240 31.365 32.600 0.008 0.000 2.070 329 M HN 1.882 nan 8.290 nan 0.000 0.460 330 V N 2.446 122.363 119.914 0.006 0.000 2.739 330 V HA 0.908 5.029 4.120 0.001 0.000 0.293 330 V C -0.379 175.716 176.094 0.002 0.000 1.199 330 V CA -0.265 62.037 62.300 0.004 0.000 0.931 330 V CB 0.555 32.381 31.823 0.005 0.000 1.052 330 V HN 2.339 nan 8.190 nan 0.000 0.441 331 A N 3.562 126.382 122.820 0.000 0.000 3.005 331 A HA 1.144 5.465 4.320 0.001 0.000 0.282 331 A C -0.266 177.316 177.584 -0.003 0.000 1.218 331 A CA 0.083 52.119 52.037 -0.002 0.000 0.703 331 A CB 0.869 19.868 19.000 -0.001 0.000 1.387 331 A HN 2.602 nan 8.150 nan 0.000 0.592 332 I N -0.116 120.450 120.570 -0.006 0.000 2.410 332 I HA 0.715 4.886 4.170 0.001 0.000 0.286 332 I C -0.444 175.655 176.117 -0.031 0.000 1.009 332 I CA 0.219 61.515 61.300 -0.006 0.000 1.111 332 I CB 0.414 38.418 38.000 0.007 0.000 1.262 332 I HN 1.225 nan 8.210 nan 0.000 0.443 333 D N 2.969 123.343 120.400 -0.044 0.000 2.646 333 D HA 0.628 5.269 4.640 0.001 0.000 0.245 333 D C 0.335 176.551 176.300 -0.141 0.000 1.099 333 D CA -0.200 53.744 54.000 -0.093 0.000 0.849 333 D CB 1.214 41.975 40.800 -0.065 0.000 1.448 333 D HN 1.413 nan 8.370 nan 0.000 0.489 334 N N 0.589 119.104 118.700 -0.308 0.000 2.783 334 N HA -0.195 4.546 4.740 0.001 0.000 0.247 334 N C 0.012 175.201 175.510 -0.534 0.000 1.089 334 N CA 0.355 53.100 53.050 -0.509 0.000 0.690 334 N CB -1.504 36.872 38.487 -0.184 0.000 0.991 334 N HN 1.215 nan 8.380 nan 0.000 0.552 335 F N -3.453 116.495 119.950 -0.003 0.000 2.805 335 F HA -0.216 4.313 4.527 0.002 0.000 0.217 335 F C 0.530 176.330 175.800 -0.001 0.000 1.035 335 F CA 1.237 59.236 58.000 -0.002 0.000 0.835 335 F CB -2.586 36.413 39.000 -0.001 0.000 0.687 335 F HN 0.277 nan 8.300 nan 0.000 0.844 336 T N -0.964 113.665 114.554 0.126 0.000 3.295 336 T HA 0.638 4.989 4.350 0.001 0.000 0.331 336 T C -3.155 171.570 174.700 0.043 0.000 1.142 336 T CA -2.000 60.158 62.100 0.097 0.000 1.078 336 T CB 2.027 70.959 68.868 0.106 0.000 1.150 336 T HN -0.141 nan 8.240 nan 0.000 0.465 337 P HA 0.631 nan 4.420 nan 0.000 0.270 337 P C -0.573 176.736 177.300 0.015 0.000 1.242 337 P CA -0.343 62.768 63.100 0.018 0.000 0.768 337 P CB 0.680 32.389 31.700 0.015 0.000 0.820 338 R N 2.103 122.608 120.500 0.009 0.000 2.740 338 R HA 0.600 4.941 4.340 0.001 0.000 0.273 338 R C -0.726 175.578 176.300 0.006 0.000 0.998 338 R CA -0.575 55.530 56.100 0.008 0.000 0.900 338 R CB 0.800 31.103 30.300 0.006 0.000 1.223 338 R HN 0.340 nan 8.270 nan 0.000 0.466 339 Q N 1.436 121.241 119.800 0.008 0.000 2.304 339 Q HA 0.653 4.994 4.340 0.001 0.000 0.260 339 Q C -0.226 175.778 176.000 0.006 0.000 0.965 339 Q CA 0.420 56.227 55.803 0.007 0.000 0.898 339 Q CB 0.336 29.079 28.738 0.009 0.000 1.196 339 Q HN 0.817 nan 8.270 nan 0.000 0.402 340 V N 0.198 120.115 119.914 0.005 0.000 3.528 340 V HA 1.036 5.156 4.120 0.001 0.000 0.301 340 V C 0.605 176.702 176.094 0.005 0.000 1.332 340 V CA -0.315 61.988 62.300 0.004 0.000 1.004 340 V CB 1.699 33.523 31.823 0.002 0.000 1.222 340 V HN 1.366 nan 8.190 nan 0.000 0.478 341 G N -3.496 105.307 108.800 0.005 0.000 2.682 341 G HA2 0.648 4.608 3.960 0.001 0.000 0.303 341 G HA3 0.648 4.608 3.960 0.001 0.000 0.303 341 G C 0.501 175.402 174.900 0.002 0.000 1.341 341 G CA 0.479 45.582 45.100 0.005 0.000 0.784 341 G HN 1.929 nan 8.290 nan 0.000 0.497 342 I N -0.477 120.094 120.570 0.003 0.000 2.423 342 I HA 0.293 4.464 4.170 0.001 0.000 0.254 342 I C 2.950 179.067 176.117 -0.000 0.000 1.151 342 I CA 3.097 64.397 61.300 -0.001 0.000 1.421 342 I CB -1.467 36.537 38.000 0.006 0.000 1.079 342 I HN 1.102 nan 8.210 nan 0.000 0.431 343 V N 0.041 119.960 119.914 0.007 0.000 2.426 343 V HA -0.003 4.118 4.120 0.001 0.000 0.242 343 V C 0.830 176.926 176.094 0.004 0.000 1.036 343 V CA 1.790 64.096 62.300 0.009 0.000 1.044 343 V CB -1.679 30.153 31.823 0.015 0.000 0.688 343 V HN 0.467 nan 8.190 nan 0.000 0.462 344 P HA -0.157 nan 4.420 nan 0.000 0.213 344 P C 1.951 179.256 177.300 0.008 0.000 1.170 344 P CA 3.041 66.143 63.100 0.004 0.000 0.898 344 P CB -0.258 31.443 31.700 0.002 0.000 0.787 345 I N -0.354 120.220 120.570 0.007 0.000 2.068 345 I HA -0.258 3.913 4.170 0.001 0.000 0.238 345 I C 2.767 178.902 176.117 0.029 0.000 1.046 345 I CA 3.390 64.699 61.300 0.016 0.000 1.306 345 I CB -2.273 35.727 38.000 -0.000 0.000 1.023 345 I HN 0.062 nan 8.210 nan 0.000 0.399 346 L N 0.188 121.405 121.223 -0.011 0.000 2.127 346 L HA 0.007 4.348 4.340 0.001 0.000 0.211 346 L C 2.962 179.848 176.870 0.027 0.000 1.089 346 L CA 3.599 58.422 54.840 -0.028 0.000 0.757 346 L CB -2.154 39.867 42.059 -0.064 0.000 0.899 346 L HN 1.038 nan 8.230 nan 0.000 0.434 347 S N -0.367 115.345 115.700 0.020 0.000 2.356 347 S HA -0.037 4.434 4.470 0.001 0.000 0.223 347 S C 2.565 177.184 174.600 0.032 0.000 1.032 347 S CA 2.497 60.708 58.200 0.018 0.000 1.005 347 S CB -0.832 62.371 63.200 0.005 0.000 0.867 347 S HN 1.117 nan 8.310 nan 0.000 0.449 348 S N -0.615 115.107 115.700 0.036 0.000 2.406 348 S HA 0.070 4.541 4.470 0.001 0.000 0.228 348 S C 1.816 176.448 174.600 0.052 0.000 1.020 348 S CA 1.313 59.526 58.200 0.020 0.000 0.965 348 S CB -0.596 62.602 63.200 -0.004 0.000 0.798 348 S HN 0.694 nan 8.310 nan 0.000 0.488 349 Y N 1.345 121.619 120.300 -0.042 0.000 2.314 349 Y HA 0.001 4.551 4.550 0.000 0.000 0.293 349 Y C 2.666 178.543 175.900 -0.038 0.000 1.129 349 Y CA 1.105 59.181 58.100 -0.040 0.000 1.201 349 Y CB -0.259 38.179 38.460 -0.037 0.000 0.999 349 Y HN 0.296 nan 8.280 nan 0.000 0.541 350 I N 0.384 121.112 120.570 0.263 0.000 2.163 350 I HA -0.209 3.962 4.170 0.001 0.000 0.243 350 I C 2.533 178.678 176.117 0.047 0.000 1.085 350 I CA 2.280 63.667 61.300 0.144 0.000 1.347 350 I CB -1.947 36.093 38.000 0.067 0.000 1.044 350 I HN 0.474 nan 8.210 nan 0.000 0.408 351 A N -0.396 122.435 122.820 0.018 0.000 1.969 351 A HA -0.083 4.238 4.320 0.001 0.000 0.218 351 A C 2.351 179.903 177.584 -0.054 0.000 1.169 351 A CA 2.429 54.454 52.037 -0.020 0.000 0.635 351 A CB -1.728 17.257 19.000 -0.025 0.000 0.810 351 A HN 1.359 nan 8.150 nan 0.000 0.445 352 H N -1.159 117.858 119.070 -0.089 0.000 2.389 352 H HA 0.026 4.583 4.556 0.001 0.000 0.299 352 H C 2.261 177.489 175.328 -0.168 0.000 1.081 352 H CA 1.549 57.504 56.048 -0.155 0.000 1.345 352 H CB -0.272 29.341 29.762 -0.247 0.000 1.393 352 H HN 0.342 nan 8.280 nan 0.000 0.520 353 R N -0.161 120.241 120.500 -0.164 0.000 2.075 353 R HA -0.031 4.309 4.340 0.001 0.000 0.226 353 R C 3.085 179.351 176.300 -0.057 0.000 1.114 353 R CA 1.509 57.538 56.100 -0.118 0.000 0.972 353 R CB -0.884 29.370 30.300 -0.076 0.000 0.869 353 R HN 0.674 nan 8.270 nan 0.000 0.437 354 R N 1.092 121.571 120.500 -0.036 0.000 2.208 354 R HA -0.263 4.078 4.340 0.001 0.000 0.262 354 R C 2.040 178.323 176.300 -0.028 0.000 1.166 354 R CA 2.663 58.749 56.100 -0.024 0.000 0.987 354 R CB -1.784 28.503 30.300 -0.020 0.000 0.887 354 R HN 0.643 nan 8.270 nan 0.000 0.459 355 E N -0.930 119.245 120.200 -0.042 0.000 2.389 355 E HA 0.538 4.888 4.350 0.001 0.000 0.199 355 E C 2.462 179.039 176.600 -0.039 0.000 0.978 355 E CA 0.911 57.289 56.400 -0.036 0.000 0.912 355 E CB -0.689 28.987 29.700 -0.040 0.000 0.907 355 E HN 0.884 nan 8.360 nan 0.000 0.494 356 V N 1.510 121.391 119.914 -0.054 0.000 2.237 356 V HA 0.045 4.166 4.120 0.001 0.000 0.245 356 V C 3.073 179.153 176.094 -0.023 0.000 1.046 356 V CA 3.720 65.991 62.300 -0.049 0.000 1.007 356 V CB -1.207 30.572 31.823 -0.072 0.000 0.638 356 V HN 0.673 nan 8.190 nan 0.000 0.445 357 I N -0.198 120.359 120.570 -0.020 0.000 2.118 357 I HA -0.064 4.106 4.170 0.001 0.000 0.241 357 I C 2.977 179.097 176.117 0.005 0.000 1.070 357 I CA 3.744 65.041 61.300 -0.004 0.000 1.327 357 I CB -1.607 36.390 38.000 -0.004 0.000 1.034 357 I HN 0.955 nan 8.210 nan 0.000 0.405 358 L N 0.070 121.292 121.223 -0.000 0.000 2.081 358 L HA 0.090 4.431 4.340 0.001 0.000 0.212 358 L C 2.942 179.824 176.870 0.020 0.000 1.080 358 L CA 3.423 58.267 54.840 0.007 0.000 0.754 358 L CB -2.127 39.932 42.059 -0.000 0.000 0.893 358 L HN 1.042 nan 8.230 nan 0.000 0.433 359 A N -0.527 122.303 122.820 0.017 0.000 1.832 359 A HA 0.005 4.326 4.320 0.001 0.000 0.214 359 A C 2.770 180.404 177.584 0.083 0.000 1.200 359 A CA 2.959 55.016 52.037 0.034 0.000 0.610 359 A CB -1.070 17.929 19.000 -0.001 0.000 0.842 359 A HN 1.045 nan 8.150 nan 0.000 0.444 360 R N -0.553 119.988 120.500 0.068 0.000 2.185 360 R HA -0.129 4.211 4.340 0.001 0.000 0.247 360 R C 2.522 178.877 176.300 0.093 0.000 1.159 360 R CA 2.879 59.041 56.100 0.103 0.000 0.988 360 R CB -2.058 28.277 30.300 0.059 0.000 0.871 360 R HN 0.925 nan 8.270 nan 0.000 0.458 361 S N 1.220 116.955 115.700 0.059 0.000 2.355 361 S HA -0.118 4.352 4.470 0.001 0.000 0.210 361 S C 2.270 176.901 174.600 0.052 0.000 1.035 361 S CA 1.317 59.541 58.200 0.038 0.000 1.011 361 S CB -0.326 62.887 63.200 0.023 0.000 1.000 361 S HN 0.622 nan 8.310 nan 0.000 0.423 362 R N -0.653 119.884 120.500 0.063 0.000 2.174 362 R HA -0.136 4.205 4.340 0.001 0.000 0.253 362 R C 1.962 178.332 176.300 0.117 0.000 1.165 362 R CA 1.667 57.809 56.100 0.070 0.000 0.984 362 R CB -0.570 29.770 30.300 0.067 0.000 0.873 362 R HN 0.582 nan 8.270 nan 0.000 0.456 363 F N 1.551 121.493 119.950 -0.014 0.000 2.049 363 F HA -0.084 4.443 4.527 0.001 0.000 0.288 363 F C 2.580 178.373 175.800 -0.012 0.000 1.141 363 F CA 1.740 59.731 58.000 -0.014 0.000 1.165 363 F CB -1.110 37.881 39.000 -0.015 0.000 1.012 363 F HN 0.128 nan 8.300 nan 0.000 0.475 364 D N 0.317 120.585 120.400 -0.219 0.000 2.220 364 D HA -0.290 4.351 4.640 0.001 0.000 0.198 364 D C 2.091 178.246 176.300 -0.241 0.000 1.001 364 D CA 2.927 56.744 54.000 -0.306 0.000 0.875 364 D CB -1.171 39.572 40.800 -0.095 0.000 0.921 364 D HN 0.496 nan 8.370 nan 0.000 0.454 365 K N -0.391 119.925 120.400 -0.139 0.000 2.002 365 K HA 0.082 4.402 4.320 0.001 0.000 0.209 365 K C 2.586 179.112 176.600 -0.125 0.000 1.048 365 K CA 2.388 58.617 56.287 -0.098 0.000 0.930 365 K CB -1.547 30.927 32.500 -0.044 0.000 0.714 365 K HN 0.831 nan 8.250 nan 0.000 0.438 366 E N 0.553 120.667 120.200 -0.144 0.000 2.150 366 E HA -0.084 4.266 4.350 0.001 0.000 0.193 366 E C 2.417 178.904 176.600 -0.190 0.000 0.985 366 E CA 2.140 58.465 56.400 -0.125 0.000 0.814 366 E CB -1.180 28.486 29.700 -0.056 0.000 0.752 366 E HN 0.803 nan 8.360 nan 0.000 0.466 367 K N 0.361 120.551 120.400 -0.351 0.000 2.097 367 K HA 0.396 4.717 4.320 0.001 0.000 0.205 367 K C 2.682 179.175 176.600 -0.178 0.000 1.050 367 K CA 1.592 57.683 56.287 -0.327 0.000 0.938 367 K CB -0.988 31.206 32.500 -0.510 0.000 0.718 367 K HN 0.729 nan 8.250 nan 0.000 0.442 368 A N 1.493 124.220 122.820 -0.155 0.000 1.828 368 A HA -0.190 4.131 4.320 0.001 0.000 0.215 368 A C 2.167 179.718 177.584 -0.055 0.000 1.203 368 A CA 1.825 53.809 52.037 -0.088 0.000 0.614 368 A CB -0.650 18.304 19.000 -0.076 0.000 0.844 368 A HN 0.671 nan 8.150 nan 0.000 0.445 369 E N -0.391 119.778 120.200 -0.052 0.000 2.196 369 E HA -0.373 3.978 4.350 0.001 0.000 0.222 369 E C 2.298 178.893 176.600 -0.010 0.000 1.072 369 E CA 2.547 58.931 56.400 -0.026 0.000 0.902 369 E CB -0.467 29.208 29.700 -0.042 0.000 0.780 369 E HN 0.649 nan 8.360 nan 0.000 0.467 370 K N 1.371 121.747 120.400 -0.041 0.000 2.209 370 K HA -0.111 4.209 4.320 0.001 0.000 0.204 370 K C 1.909 178.520 176.600 0.018 0.000 1.048 370 K CA 1.436 57.706 56.287 -0.029 0.000 0.940 370 K CB -0.382 32.088 32.500 -0.051 0.000 0.729 370 K HN -0.037 nan 8.250 nan 0.000 0.451 371 R N -0.457 120.044 120.500 0.002 0.000 2.064 371 R HA 0.124 4.465 4.340 0.001 0.000 0.221 371 R C 2.667 178.985 176.300 0.030 0.000 1.136 371 R CA 1.413 57.519 56.100 0.009 0.000 0.980 371 R CB -1.023 29.267 30.300 -0.017 0.000 0.876 371 R HN 0.401 nan 8.270 nan 0.000 0.437 372 L N 0.568 121.806 121.223 0.026 0.000 2.450 372 L HA -0.179 4.161 4.340 0.001 0.000 0.225 372 L C 2.181 179.082 176.870 0.051 0.000 1.145 372 L CA 2.718 57.573 54.840 0.026 0.000 0.801 372 L CB -1.682 40.387 42.059 0.017 0.000 0.924 372 L HN 0.470 nan 8.230 nan 0.000 0.447 373 H N -1.403 117.655 119.070 -0.020 0.000 2.486 373 H HA 0.217 4.774 4.556 0.001 0.000 0.287 373 H C 2.056 177.377 175.328 -0.012 0.000 1.010 373 H CA 1.766 57.805 56.048 -0.015 0.000 1.324 373 H CB 0.376 30.129 29.762 -0.015 0.000 1.446 373 H HN 0.437 nan 8.280 nan 0.000 0.537 374 I N 0.187 120.798 120.570 0.068 0.000 3.030 374 I HA 0.276 4.447 4.170 0.001 0.000 0.270 374 I C 2.559 178.661 176.117 -0.025 0.000 1.211 374 I CA 1.158 62.462 61.300 0.008 0.000 1.479 374 I CB -1.579 36.447 38.000 0.043 0.000 1.105 374 I HN 0.429 nan 8.210 nan 0.000 0.447 375 V N 0.830 120.735 119.914 -0.016 0.000 2.229 375 V HA -0.142 3.979 4.120 0.001 0.000 0.243 375 V C 2.616 178.682 176.094 -0.047 0.000 1.042 375 V CA 3.737 66.022 62.300 -0.025 0.000 1.000 375 V CB -1.563 30.251 31.823 -0.015 0.000 0.637 375 V HN 0.672 nan 8.190 nan 0.000 0.446 376 E N 0.388 120.551 120.200 -0.062 0.000 2.208 376 E HA -0.153 4.198 4.350 0.001 0.000 0.202 376 E C 2.411 178.939 176.600 -0.120 0.000 1.014 376 E CA 2.418 58.765 56.400 -0.089 0.000 0.819 376 E CB -1.429 28.207 29.700 -0.107 0.000 0.735 376 E HN 1.019 nan 8.360 nan 0.000 0.469 377 G N -0.282 108.429 108.800 -0.149 0.000 2.408 377 G HA2 0.182 4.143 3.960 0.001 0.000 0.213 377 G HA3 0.182 4.143 3.960 0.001 0.000 0.213 377 G C 2.026 176.882 174.900 -0.074 0.000 1.177 377 G CA 2.052 47.070 45.100 -0.137 0.000 0.802 377 G HN 1.139 nan 8.290 nan 0.000 0.533 378 L N 1.089 122.280 121.223 -0.054 0.000 2.093 378 L HA 0.270 4.611 4.340 0.001 0.000 0.208 378 L C 3.387 180.238 176.870 -0.031 0.000 1.085 378 L CA 2.588 57.407 54.840 -0.034 0.000 0.755 378 L CB -1.792 40.253 42.059 -0.023 0.000 0.904 378 L HN 0.523 nan 8.230 nan 0.000 0.435 379 I N -0.375 120.175 120.570 -0.034 0.000 2.044 379 I HA -0.271 3.900 4.170 0.001 0.000 0.234 379 I C 3.132 179.231 176.117 -0.029 0.000 1.031 379 I CA 5.138 66.421 61.300 -0.029 0.000 1.305 379 I CB -2.037 35.945 38.000 -0.030 0.000 1.026 379 I HN 0.824 nan 8.210 nan 0.000 0.392 380 R N 0.152 120.630 120.500 -0.036 0.000 2.224 380 R HA -0.182 4.158 4.340 0.001 0.000 0.255 380 R C 2.879 179.163 176.300 -0.027 0.000 1.130 380 R CA 3.986 60.066 56.100 -0.034 0.000 0.957 380 R CB -2.325 27.949 30.300 -0.044 0.000 0.907 380 R HN 2.070 nan 8.270 nan 0.000 0.446 381 V N 0.369 120.267 119.914 -0.028 0.000 2.490 381 V HA 0.072 4.192 4.120 0.001 0.000 0.250 381 V C 3.137 179.221 176.094 -0.016 0.000 1.061 381 V CA 3.838 66.126 62.300 -0.021 0.000 1.064 381 V CB -1.351 30.460 31.823 -0.021 0.000 0.670 381 V HN 0.963 nan 8.190 nan 0.000 0.461 382 I N 0.193 120.753 120.570 -0.017 0.000 2.091 382 I HA -0.173 3.997 4.170 0.001 0.000 0.239 382 I C 3.009 179.119 176.117 -0.012 0.000 1.061 382 I CA 3.568 64.860 61.300 -0.013 0.000 1.317 382 I CB -1.630 36.362 38.000 -0.013 0.000 1.031 382 I HN 0.730 nan 8.210 nan 0.000 0.401 383 S N 0.243 115.936 115.700 -0.013 0.000 2.393 383 S HA -0.023 4.448 4.470 0.001 0.000 0.234 383 S C 1.782 176.376 174.600 -0.010 0.000 1.064 383 S CA 3.726 61.919 58.200 -0.012 0.000 1.088 383 S CB -1.109 62.083 63.200 -0.013 0.000 0.939 383 S HN 2.110 nan 8.310 nan 0.000 0.448 384 I N 0.491 121.055 120.570 -0.011 0.000 3.158 384 I HA 0.796 4.967 4.170 0.001 0.000 0.344 384 I C 1.831 177.943 176.117 -0.008 0.000 1.459 384 I CA 0.374 61.669 61.300 -0.009 0.000 0.956 384 I CB -0.995 37.000 38.000 -0.009 0.000 1.793 384 I HN 0.722 nan 8.210 nan 0.000 0.522 385 L N -1.018 120.200 121.223 -0.008 0.000 2.042 385 L HA -0.172 4.168 4.340 0.001 0.000 0.210 385 L C 2.197 179.064 176.870 -0.005 0.000 1.076 385 L CA 3.137 57.973 54.840 -0.007 0.000 0.749 385 L CB -1.195 40.860 42.059 -0.007 0.000 0.893 385 L HN 0.638 nan 8.230 nan 0.000 0.432 386 D N -0.539 119.858 120.400 -0.005 0.000 2.088 386 D HA -0.186 4.455 4.640 0.001 0.000 0.191 386 D C 2.109 178.407 176.300 -0.004 0.000 0.992 386 D CA 1.689 55.687 54.000 -0.004 0.000 0.831 386 D CB -0.336 40.461 40.800 -0.004 0.000 0.973 386 D HN 0.700 nan 8.370 nan 0.000 0.447 387 E N 0.405 120.602 120.200 -0.004 0.000 2.118 387 E HA -0.123 4.228 4.350 0.001 0.000 0.195 387 E C 2.232 178.830 176.600 -0.003 0.000 0.992 387 E CA 1.110 57.508 56.400 -0.004 0.000 0.804 387 E CB -0.555 29.142 29.700 -0.004 0.000 0.741 387 E HN 0.377 nan 8.360 nan 0.000 0.458 388 V N 1.380 121.291 119.914 -0.004 0.000 2.283 388 V HA -0.149 3.972 4.120 0.001 0.000 0.243 388 V C 2.561 178.654 176.094 -0.003 0.000 1.039 388 V CA 2.728 65.026 62.300 -0.004 0.000 1.016 388 V CB -1.323 30.497 31.823 -0.006 0.000 0.650 388 V HN 0.278 nan 8.190 nan 0.000 0.449 389 I N 0.007 120.575 120.570 -0.003 0.000 3.055 389 I HA 0.180 4.351 4.170 0.001 0.000 0.277 389 I C 2.339 178.455 176.117 -0.002 0.000 1.306 389 I CA 2.436 63.734 61.300 -0.002 0.000 1.426 389 I CB -1.826 36.173 38.000 -0.002 0.000 1.081 389 I HN 0.711 nan 8.210 nan 0.000 0.502 390 A N 0.593 123.412 122.820 -0.002 0.000 1.878 390 A HA 0.182 4.503 4.320 0.001 0.000 0.215 390 A C 2.181 179.765 177.584 -0.001 0.000 1.310 390 A CA 1.038 53.074 52.037 -0.001 0.000 0.612 390 A CB -0.856 18.143 19.000 -0.002 0.000 0.989 390 A HN 1.137 nan 8.150 nan 0.000 0.472 391 L N -1.577 119.646 121.223 -0.001 0.000 2.456 391 L HA 0.052 4.393 4.340 0.001 0.000 0.224 391 L C 2.299 179.169 176.870 0.000 0.000 1.148 391 L CA 1.420 56.260 54.840 -0.000 0.000 0.825 391 L CB -0.812 41.247 42.059 -0.000 0.000 0.937 391 L HN 0.284 nan 8.230 nan 0.000 0.450 392 I N -0.022 120.548 120.570 0.000 0.000 3.111 392 I HA -0.029 4.142 4.170 0.001 0.000 0.272 392 I C 2.591 178.708 176.117 0.001 0.000 1.268 392 I CA 1.131 62.432 61.300 0.001 0.000 1.467 392 I CB -0.843 37.157 38.000 0.001 0.000 1.087 392 I HN 0.353 nan 8.210 nan 0.000 0.467 393 R N 1.097 121.598 120.500 0.000 0.000 2.043 393 R HA 0.287 4.628 4.340 0.001 0.000 0.221 393 R C 2.443 178.743 176.300 0.001 0.000 1.196 393 R CA 1.147 57.248 56.100 0.001 0.000 0.949 393 R CB -0.641 29.659 30.300 0.000 0.000 0.838 393 R HN 0.465 nan 8.270 nan 0.000 0.446 394 A N 1.266 124.087 122.820 0.001 0.000 2.276 394 A HA 0.013 4.334 4.320 0.001 0.000 0.205 394 A C 1.903 179.487 177.584 0.001 0.000 1.234 394 A CA 1.258 53.295 52.037 0.001 0.000 0.797 394 A CB -0.989 18.011 19.000 0.000 0.000 0.769 394 A HN 0.549 nan 8.150 nan 0.000 0.491 395 S N -1.044 114.657 115.700 0.001 0.000 2.412 395 S HA 0.339 4.809 4.470 0.001 0.000 0.199 395 S C 1.453 176.054 174.600 0.002 0.000 1.099 395 S CA 2.799 60.999 58.200 0.002 0.000 1.243 395 S CB -0.236 62.965 63.200 0.002 0.000 0.996 395 S HN 1.268 nan 8.310 nan 0.000 0.402 396 E N -2.360 117.841 120.200 0.002 0.000 2.397 396 E HA 0.385 4.736 4.350 0.001 0.000 0.292 396 E C 0.675 177.277 176.600 0.002 0.000 1.070 396 E CA 1.311 57.713 56.400 0.002 0.000 2.206 396 E CB -1.314 28.388 29.700 0.002 0.000 2.231 396 E HN 1.168 nan 8.360 nan 0.000 1.164 397 N N 0.392 119.094 118.700 0.003 0.000 2.645 397 N HA 0.618 5.358 4.740 0.001 0.000 0.308 397 N C 1.656 177.168 175.510 0.003 0.000 1.335 397 N CA 1.770 54.822 53.050 0.003 0.000 0.909 397 N CB -0.355 38.134 38.487 0.003 0.000 1.109 397 N HN 1.085 nan 8.380 nan 0.000 0.555 398 K N -1.214 119.189 120.400 0.004 0.000 2.020 398 K HA 0.569 4.890 4.320 0.001 0.000 0.206 398 K C 2.582 179.185 176.600 0.005 0.000 1.038 398 K CA 1.755 58.044 56.287 0.005 0.000 0.947 398 K CB -1.344 31.159 32.500 0.005 0.000 0.744 398 K HN 1.170 nan 8.250 nan 0.000 0.442 399 A N 1.558 124.381 122.820 0.005 0.000 2.076 399 A HA -0.011 4.310 4.320 0.001 0.000 0.220 399 A C 2.240 179.828 177.584 0.006 0.000 1.160 399 A CA 2.178 54.218 52.037 0.006 0.000 0.653 399 A CB -1.496 17.508 19.000 0.006 0.000 0.801 399 A HN 0.735 nan 8.150 nan 0.000 0.455 400 D N -0.421 119.982 120.400 0.005 0.000 2.178 400 D HA 0.184 4.825 4.640 0.001 0.000 0.202 400 D C 2.092 178.395 176.300 0.004 0.000 0.974 400 D CA 1.764 55.767 54.000 0.004 0.000 0.841 400 D CB -0.502 40.300 40.800 0.003 0.000 0.953 400 D HN 0.702 nan 8.370 nan 0.000 0.478 401 A N 0.214 123.036 122.820 0.004 0.000 1.898 401 A HA 0.270 4.591 4.320 0.001 0.000 0.214 401 A C 2.576 180.162 177.584 0.005 0.000 1.183 401 A CA 2.712 54.751 52.037 0.004 0.000 0.622 401 A CB -0.681 18.321 19.000 0.004 0.000 0.824 401 A HN 0.680 nan 8.150 nan 0.000 0.444 402 K N -0.813 119.591 120.400 0.006 0.000 2.025 402 K HA -0.010 4.311 4.320 0.001 0.000 0.207 402 K C 2.192 178.797 176.600 0.008 0.000 1.049 402 K CA 2.322 58.614 56.287 0.008 0.000 0.933 402 K CB -1.694 30.812 32.500 0.010 0.000 0.714 402 K HN 0.761 nan 8.250 nan 0.000 0.438 403 E N 0.497 120.702 120.200 0.007 0.000 2.048 403 E HA -0.315 4.036 4.350 0.001 0.000 0.202 403 E C 2.265 178.869 176.600 0.006 0.000 1.021 403 E CA 2.579 58.984 56.400 0.007 0.000 0.825 403 E CB -2.116 27.588 29.700 0.006 0.000 0.756 403 E HN 0.962 nan 8.360 nan 0.000 0.454 404 N N -0.478 118.225 118.700 0.005 0.000 2.586 404 N HA 0.051 4.792 4.740 0.001 0.000 0.191 404 N C 1.586 177.097 175.510 0.003 0.000 1.085 404 N CA 1.454 54.506 53.050 0.004 0.000 0.921 404 N CB -0.746 37.743 38.487 0.003 0.000 0.954 404 N HN 0.397 nan 8.380 nan 0.000 0.448 405 L N 0.266 121.491 121.223 0.004 0.000 2.939 405 L HA 0.368 4.709 4.340 0.001 0.000 0.239 405 L C 2.437 179.310 176.870 0.005 0.000 1.325 405 L CA 0.715 55.557 54.840 0.003 0.000 1.170 405 L CB -1.320 40.741 42.059 0.004 0.000 1.538 405 L HN 0.908 nan 8.230 nan 0.000 0.452 406 K N -0.674 119.729 120.400 0.005 0.000 2.166 406 K HA 0.494 4.814 4.320 0.001 0.000 0.201 406 K C 1.107 177.709 176.600 0.003 0.000 1.052 406 K CA 1.270 57.560 56.287 0.005 0.000 0.969 406 K CB -0.534 31.969 32.500 0.005 0.000 0.761 406 K HN 0.549 nan 8.250 nan 0.000 0.459 407 V N -0.741 119.174 119.914 0.002 0.000 3.641 407 V HA 0.580 4.701 4.120 0.001 0.000 0.286 407 V C 1.501 177.595 176.094 -0.001 0.000 1.027 407 V CA 0.435 62.736 62.300 0.001 0.000 1.032 407 V CB -0.679 31.144 31.823 0.000 0.000 1.238 407 V HN 1.289 nan 8.190 nan 0.000 0.439 408 S N -1.556 114.143 115.700 -0.002 0.000 3.221 408 S HA 0.352 4.822 4.470 0.001 0.000 0.376 408 S C 0.442 175.039 174.600 -0.005 0.000 0.880 408 S CA 2.457 60.655 58.200 -0.004 0.000 1.238 408 S CB -1.923 61.274 63.200 -0.004 0.000 0.848 408 S HN 2.820 nan 8.310 nan 0.000 0.447 409 Y N -2.773 117.525 120.300 -0.004 0.000 3.097 409 Y HA 0.509 5.059 4.550 0.001 0.000 0.412 409 Y C -0.183 175.715 175.900 -0.003 0.000 1.225 409 Y CA -0.055 58.041 58.100 -0.007 0.000 1.156 409 Y CB -0.160 38.295 38.460 -0.009 0.000 1.983 409 Y HN 0.379 nan 8.280 nan 0.000 0.431 410 D N -0.420 119.978 120.400 -0.004 0.000 2.636 410 D HA 0.472 5.112 4.640 0.001 0.000 0.270 410 D C 0.238 176.544 176.300 0.009 0.000 1.430 410 D CA 0.781 54.783 54.000 0.003 0.000 0.796 410 D CB -0.538 40.264 40.800 0.004 0.000 1.117 410 D HN 1.360 nan 8.370 nan 0.000 0.480 411 F N 0.457 120.408 119.950 0.002 0.000 2.539 411 F HA 0.563 5.091 4.527 0.001 0.000 0.340 411 F C 1.398 177.224 175.800 0.044 0.000 1.185 411 F CA 0.236 58.240 58.000 0.006 0.000 1.333 411 F CB -0.560 38.433 39.000 -0.011 0.000 1.152 411 F HN 0.107 nan 8.300 nan 0.000 0.602 412 T N -0.331 114.281 114.554 0.097 0.000 2.849 412 T HA 0.455 4.806 4.350 0.001 0.000 0.276 412 T C 1.085 175.831 174.700 0.076 0.000 0.971 412 T CA 0.470 62.632 62.100 0.104 0.000 0.949 412 T CB 0.173 69.140 68.868 0.165 0.000 1.093 412 T HN 0.868 nan 8.240 nan 0.000 0.545 413 E N 0.606 120.839 120.200 0.054 0.000 2.007 413 E HA -0.202 4.149 4.350 0.001 0.000 0.203 413 E C 2.147 178.777 176.600 0.050 0.000 1.020 413 E CA 2.345 58.769 56.400 0.039 0.000 0.845 413 E CB -0.089 29.625 29.700 0.024 0.000 0.779 413 E HN 0.748 nan 8.360 nan 0.000 0.466 414 E N 0.255 120.488 120.200 0.054 0.000 2.233 414 E HA -0.333 4.018 4.350 0.001 0.000 0.199 414 E C 2.101 178.763 176.600 0.103 0.000 1.004 414 E CA 2.115 58.554 56.400 0.066 0.000 0.819 414 E CB -1.033 28.696 29.700 0.049 0.000 0.738 414 E HN 0.516 nan 8.360 nan 0.000 0.478 415 Q N 1.478 121.361 119.800 0.139 0.000 2.020 415 Q HA 0.082 4.422 4.340 0.001 0.000 0.202 415 Q C 2.464 178.485 176.000 0.035 0.000 0.982 415 Q CA 2.441 58.292 55.803 0.080 0.000 0.838 415 Q CB -1.005 27.765 28.738 0.054 0.000 0.899 415 Q HN 0.584 nan 8.270 nan 0.000 0.423 416 A N 0.685 123.526 122.820 0.036 0.000 1.855 416 A HA 0.112 4.433 4.320 0.001 0.000 0.215 416 A C 2.414 180.008 177.584 0.018 0.000 1.191 416 A CA 3.046 55.095 52.037 0.020 0.000 0.613 416 A CB -1.262 17.750 19.000 0.020 0.000 0.829 416 A HN 0.955 nan 8.150 nan 0.000 0.442 417 E N -0.417 119.797 120.200 0.023 0.000 2.124 417 E HA -0.299 4.051 4.350 0.001 0.000 0.244 417 E C 2.372 178.981 176.600 0.015 0.000 1.019 417 E CA 3.175 59.586 56.400 0.019 0.000 0.941 417 E CB -1.574 28.140 29.700 0.023 0.000 0.851 417 E HN 1.502 nan 8.360 nan 0.000 0.537 418 A N 0.319 123.149 122.820 0.016 0.000 2.076 418 A HA 0.170 4.490 4.320 0.001 0.000 0.220 418 A C 2.716 180.304 177.584 0.006 0.000 1.160 418 A CA 3.277 55.321 52.037 0.011 0.000 0.653 418 A CB -1.093 17.914 19.000 0.012 0.000 0.801 418 A HN 1.580 nan 8.150 nan 0.000 0.455 419 I N -1.478 119.095 120.570 0.005 0.000 2.614 419 I HA 0.227 4.398 4.170 0.001 0.000 0.258 419 I C 2.372 178.491 176.117 0.002 0.000 1.189 419 I CA 2.201 63.502 61.300 0.001 0.000 1.462 419 I CB -1.556 36.443 38.000 -0.002 0.000 1.092 419 I HN 0.488 nan 8.210 nan 0.000 0.442 420 V N -1.120 118.797 119.914 0.005 0.000 3.212 420 V HA 0.265 4.386 4.120 0.001 0.000 0.244 420 V C 2.481 178.578 176.094 0.005 0.000 1.151 420 V CA 1.810 64.113 62.300 0.004 0.000 1.119 420 V CB -1.116 30.711 31.823 0.006 0.000 0.838 420 V HN 0.560 nan 8.190 nan 0.000 0.470 421 T N -0.232 114.325 114.554 0.006 0.000 3.072 421 T HA 0.462 4.813 4.350 0.001 0.000 0.266 421 T C 1.258 175.961 174.700 0.005 0.000 1.127 421 T CA 1.370 63.474 62.100 0.006 0.000 1.107 421 T CB -1.265 67.608 68.868 0.008 0.000 0.910 421 T HN 1.394 nan 8.240 nan 0.000 0.513 422 L N 0.541 121.766 121.223 0.003 0.000 2.424 422 L HA 0.494 4.835 4.340 0.001 0.000 0.274 422 L C 0.439 177.311 176.870 0.002 0.000 1.284 422 L CA 0.277 55.118 54.840 0.002 0.000 0.819 422 L CB -0.768 41.291 42.059 0.000 0.000 1.081 422 L HN 0.748 nan 8.230 nan 0.000 0.577 423 Q N -1.019 118.781 119.800 0.001 0.000 2.421 423 Q HA 0.629 4.970 4.340 0.001 0.000 0.280 423 Q C 0.455 176.455 176.000 0.000 0.000 1.085 423 Q CA -0.582 55.222 55.803 0.001 0.000 0.807 423 Q CB 1.644 30.383 28.738 0.001 0.000 1.405 423 Q HN 0.458 nan 8.270 nan 0.000 0.419 424 L N 0.071 121.295 121.223 0.000 0.000 2.349 424 L HA -0.224 4.117 4.340 0.001 0.000 0.220 424 L C 2.615 179.484 176.870 -0.001 0.000 1.130 424 L CA 2.416 57.256 54.840 -0.000 0.000 0.791 424 L CB -2.603 39.456 42.059 -0.000 0.000 0.918 424 L HN 0.890 nan 8.230 nan 0.000 0.444 425 Y N 0.145 120.444 120.300 -0.000 0.000 1.979 425 Y HA -0.406 4.144 4.550 0.001 0.000 0.262 425 Y C 2.952 178.851 175.900 -0.001 0.000 1.142 425 Y CA 2.567 60.667 58.100 -0.001 0.000 1.096 425 Y CB -1.392 37.068 38.460 -0.000 0.000 0.958 425 Y HN 0.322 nan 8.280 nan 0.000 0.484 426 R N 0.359 120.858 120.500 -0.001 0.000 2.303 426 R HA -0.047 4.293 4.340 0.001 0.000 0.225 426 R C 2.490 178.788 176.300 -0.003 0.000 1.114 426 R CA 0.954 57.053 56.100 -0.002 0.000 1.007 426 R CB -2.116 28.183 30.300 -0.002 0.000 0.861 426 R HN 1.175 nan 8.270 nan 0.000 0.471 427 L N 0.190 121.411 121.223 -0.002 0.000 2.450 427 L HA 0.215 4.556 4.340 0.001 0.000 0.224 427 L C 2.498 179.366 176.870 -0.003 0.000 1.149 427 L CA 2.387 57.225 54.840 -0.003 0.000 0.816 427 L CB -2.242 39.816 42.059 -0.002 0.000 0.932 427 L HN 0.546 nan 8.230 nan 0.000 0.449 428 T N -0.951 113.601 114.554 -0.003 0.000 3.722 428 T HA 0.113 4.464 4.350 0.001 0.000 0.247 428 T C 0.956 175.654 174.700 -0.004 0.000 1.004 428 T CA -0.182 61.916 62.100 -0.003 0.000 0.947 428 T CB -1.201 67.665 68.868 -0.003 0.000 1.114 428 T HN 0.518 nan 8.240 nan 0.000 0.633 429 N N 2.512 121.210 118.700 -0.005 0.000 2.453 429 N HA 0.005 4.745 4.740 0.001 0.000 0.302 429 N C 1.738 177.244 175.510 -0.006 0.000 1.241 429 N CA 0.728 53.775 53.050 -0.006 0.000 1.129 429 N CB -0.051 38.432 38.487 -0.007 0.000 1.482 429 N HN 0.694 nan 8.380 nan 0.000 0.494 430 T N -0.773 113.778 114.554 -0.005 0.000 2.929 430 T HA -0.181 4.170 4.350 0.001 0.000 0.271 430 T C 1.465 176.162 174.700 -0.006 0.000 1.085 430 T CA 1.793 63.890 62.100 -0.005 0.000 1.125 430 T CB -0.426 68.440 68.868 -0.004 0.000 0.874 430 T HN 0.508 nan 8.240 nan 0.000 0.494 431 D N 0.626 121.022 120.400 -0.007 0.000 2.392 431 D HA 0.367 5.008 4.640 0.001 0.000 0.228 431 D C 2.334 178.629 176.300 -0.009 0.000 1.003 431 D CA 1.201 55.196 54.000 -0.008 0.000 0.917 431 D CB -1.262 39.533 40.800 -0.008 0.000 0.890 431 D HN 0.704 nan 8.370 nan 0.000 0.532 432 V N 0.259 120.168 119.914 -0.008 0.000 2.257 432 V HA -0.141 3.979 4.120 0.001 0.000 0.257 432 V C 3.000 179.089 176.094 -0.009 0.000 1.077 432 V CA 4.238 66.533 62.300 -0.009 0.000 1.063 432 V CB -0.891 30.928 31.823 -0.008 0.000 0.664 432 V HN 0.851 nan 8.190 nan 0.000 0.450 433 V N -1.547 118.362 119.914 -0.008 0.000 3.085 433 V HA 0.399 4.520 4.120 0.001 0.000 0.245 433 V C 2.569 178.658 176.094 -0.008 0.000 1.114 433 V CA 2.352 64.647 62.300 -0.008 0.000 1.108 433 V CB -0.107 31.712 31.823 -0.007 0.000 0.798 433 V HN 0.861 nan 8.190 nan 0.000 0.471 434 V N 0.225 120.134 119.914 -0.008 0.000 2.214 434 V HA -0.099 4.022 4.120 0.001 0.000 0.245 434 V C 2.932 179.021 176.094 -0.010 0.000 1.047 434 V CA 4.502 66.797 62.300 -0.008 0.000 0.998 434 V CB -1.231 30.587 31.823 -0.007 0.000 0.633 434 V HN 1.111 nan 8.190 nan 0.000 0.446 435 L N -0.658 120.559 121.223 -0.011 0.000 2.085 435 L HA -0.308 4.033 4.340 0.001 0.000 0.218 435 L C 2.853 179.715 176.870 -0.014 0.000 1.080 435 L CA 5.259 60.091 54.840 -0.013 0.000 0.776 435 L CB -2.320 39.730 42.059 -0.015 0.000 0.891 435 L HN 1.078 nan 8.230 nan 0.000 0.437 436 Q N -0.820 118.972 119.800 -0.013 0.000 2.133 436 Q HA -0.272 4.068 4.340 0.001 0.000 0.208 436 Q C 2.281 178.274 176.000 -0.011 0.000 0.991 436 Q CA 3.912 59.707 55.803 -0.013 0.000 0.867 436 Q CB -1.620 27.111 28.738 -0.011 0.000 0.911 436 Q HN 1.285 nan 8.270 nan 0.000 0.417 437 E N 0.051 120.245 120.200 -0.010 0.000 2.106 437 E HA -0.004 4.346 4.350 0.001 0.000 0.192 437 E C 2.149 178.743 176.600 -0.010 0.000 0.984 437 E CA 2.300 58.694 56.400 -0.009 0.000 0.806 437 E CB -1.222 28.473 29.700 -0.008 0.000 0.750 437 E HN 1.001 nan 8.360 nan 0.000 0.458 438 E N 0.150 120.344 120.200 -0.010 0.000 2.058 438 E HA -0.168 4.183 4.350 0.001 0.000 0.194 438 E C 2.345 178.939 176.600 -0.011 0.000 0.997 438 E CA 2.733 59.126 56.400 -0.011 0.000 0.801 438 E CB -1.553 28.140 29.700 -0.011 0.000 0.746 438 E HN 0.929 nan 8.360 nan 0.000 0.450 439 E N -0.073 120.119 120.200 -0.012 0.000 2.253 439 E HA -0.010 4.340 4.350 0.001 0.000 0.202 439 E C 2.295 178.889 176.600 -0.010 0.000 1.014 439 E CA 2.584 58.977 56.400 -0.012 0.000 0.823 439 E CB -0.823 28.868 29.700 -0.014 0.000 0.736 439 E HN 1.025 nan 8.360 nan 0.000 0.478 440 A N -0.593 122.221 122.820 -0.009 0.000 1.973 440 A HA 0.391 4.712 4.320 0.001 0.000 0.210 440 A C 2.432 180.011 177.584 -0.009 0.000 1.200 440 A CA 1.550 53.582 52.037 -0.008 0.000 0.707 440 A CB -0.331 18.664 19.000 -0.008 0.000 0.862 440 A HN 0.664 nan 8.150 nan 0.000 0.461 441 E N -0.357 119.837 120.200 -0.010 0.000 2.023 441 E HA -0.057 4.293 4.350 0.001 0.000 0.196 441 E C 2.215 178.807 176.600 -0.013 0.000 1.003 441 E CA 2.521 58.915 56.400 -0.011 0.000 0.809 441 E CB -1.613 28.080 29.700 -0.011 0.000 0.755 441 E HN 1.271 nan 8.360 nan 0.000 0.449 442 L N 0.264 121.479 121.223 -0.014 0.000 2.376 442 L HA 0.303 4.644 4.340 0.001 0.000 0.219 442 L C 2.572 179.433 176.870 -0.016 0.000 1.133 442 L CA 2.167 56.997 54.840 -0.017 0.000 0.816 442 L CB -1.082 40.967 42.059 -0.017 0.000 0.933 442 L HN 0.502 nan 8.230 nan 0.000 0.449 443 R N -0.359 120.135 120.500 -0.011 0.000 2.210 443 R HA 0.037 4.377 4.340 0.001 0.000 0.203 443 R C 2.408 178.702 176.300 -0.010 0.000 1.010 443 R CA 1.341 57.435 56.100 -0.009 0.000 1.008 443 R CB -0.032 30.264 30.300 -0.006 0.000 0.923 443 R HN 0.678 nan 8.270 nan 0.000 0.469 444 E N 1.067 121.261 120.200 -0.011 0.000 2.015 444 E HA -0.186 4.165 4.350 0.001 0.000 0.191 444 E C 2.107 178.699 176.600 -0.012 0.000 0.991 444 E CA 1.803 58.197 56.400 -0.010 0.000 0.802 444 E CB -0.886 28.808 29.700 -0.009 0.000 0.759 444 E HN 0.552 nan 8.360 nan 0.000 0.447 445 K N -0.060 120.331 120.400 -0.016 0.000 2.103 445 K HA 0.156 4.477 4.320 0.001 0.000 0.207 445 K C 2.469 179.056 176.600 -0.022 0.000 1.048 445 K CA 2.325 58.600 56.287 -0.019 0.000 0.930 445 K CB -1.569 30.916 32.500 -0.025 0.000 0.716 445 K HN 1.190 nan 8.250 nan 0.000 0.444 446 I N 0.082 120.639 120.570 -0.022 0.000 3.291 446 I HA 0.551 4.721 4.170 0.001 0.000 0.279 446 I C 2.618 178.726 176.117 -0.015 0.000 1.294 446 I CA 1.657 62.943 61.300 -0.022 0.000 1.428 446 I CB -1.394 36.593 38.000 -0.021 0.000 1.070 446 I HN 0.612 nan 8.210 nan 0.000 0.478 447 A N -0.486 122.327 122.820 -0.012 0.000 1.911 447 A HA 0.089 4.410 4.320 0.001 0.000 0.212 447 A C 2.329 179.908 177.584 -0.008 0.000 1.189 447 A CA 1.448 53.479 52.037 -0.009 0.000 0.639 447 A CB -0.388 18.607 19.000 -0.007 0.000 0.839 447 A HN 0.696 nan 8.150 nan 0.000 0.449 448 M N -0.040 119.554 119.600 -0.009 0.000 2.074 448 M HA -0.065 4.416 4.480 0.001 0.000 0.259 448 M C 2.456 178.751 176.300 -0.008 0.000 1.079 448 M CA 2.154 57.450 55.300 -0.008 0.000 1.119 448 M CB -0.609 31.985 32.600 -0.009 0.000 1.297 448 M HN 0.362 nan 8.290 nan 0.000 0.416 449 L N 0.212 121.428 121.223 -0.011 0.000 1.991 449 L HA -0.218 4.122 4.340 0.001 0.000 0.221 449 L C 2.669 179.535 176.870 -0.007 0.000 1.079 449 L CA 3.016 57.849 54.840 -0.010 0.000 0.778 449 L CB -2.814 39.234 42.059 -0.019 0.000 0.893 449 L HN 0.695 nan 8.230 nan 0.000 0.437 450 A N -1.121 121.694 122.820 -0.009 0.000 2.076 450 A HA 0.163 4.484 4.320 0.001 0.000 0.220 450 A C 2.722 180.303 177.584 -0.004 0.000 1.160 450 A CA 2.238 54.271 52.037 -0.006 0.000 0.653 450 A CB -0.842 18.154 19.000 -0.007 0.000 0.801 450 A HN 1.544 nan 8.150 nan 0.000 0.455 451 A N -0.133 122.685 122.820 -0.004 0.000 1.930 451 A HA 0.203 4.524 4.320 0.001 0.000 0.215 451 A C 2.278 179.860 177.584 -0.003 0.000 1.176 451 A CA 1.468 53.503 52.037 -0.004 0.000 0.632 451 A CB -1.043 17.955 19.000 -0.004 0.000 0.819 451 A HN 1.188 nan 8.150 nan 0.000 0.445 452 I N -0.382 120.187 120.570 -0.002 0.000 2.800 452 I HA 0.049 4.220 4.170 0.001 0.000 0.266 452 I C 2.524 178.641 176.117 -0.000 0.000 1.249 452 I CA 2.065 63.365 61.300 -0.001 0.000 1.458 452 I CB -2.029 35.971 38.000 0.000 0.000 1.093 452 I HN 0.562 nan 8.210 nan 0.000 0.466 453 I N -0.004 120.566 120.570 0.000 0.000 2.584 453 I HA 0.411 4.581 4.170 0.001 0.000 0.255 453 I C 2.557 178.674 176.117 0.000 0.000 1.145 453 I CA 1.776 63.077 61.300 0.002 0.000 1.462 453 I CB -1.302 36.700 38.000 0.003 0.000 1.102 453 I HN 0.463 nan 8.210 nan 0.000 0.433 454 G N 0.015 108.814 108.800 -0.001 0.000 2.833 454 G HA2 0.328 4.289 3.960 0.001 0.000 0.210 454 G HA3 0.328 4.289 3.960 0.001 0.000 0.210 454 G C 0.689 175.587 174.900 -0.003 0.000 1.139 454 G CA 0.992 46.091 45.100 -0.002 0.000 0.771 454 G HN 0.782 nan 8.290 nan 0.000 0.535 455 D N 0.697 121.095 120.400 -0.003 0.000 2.517 455 D HA 0.513 5.154 4.640 0.001 0.000 0.220 455 D C 1.247 177.544 176.300 -0.005 0.000 1.158 455 D CA 0.535 54.532 54.000 -0.004 0.000 0.992 455 D CB -0.648 40.149 40.800 -0.004 0.000 1.058 455 D HN 0.414 nan 8.370 nan 0.000 0.516 456 E N -0.306 119.890 120.200 -0.007 0.000 2.130 456 E HA -0.160 4.191 4.350 0.001 0.000 0.196 456 E C 2.377 178.971 176.600 -0.010 0.000 0.998 456 E CA 2.157 58.552 56.400 -0.008 0.000 0.806 456 E CB -0.809 28.885 29.700 -0.010 0.000 0.738 456 E HN 0.806 nan 8.360 nan 0.000 0.459 457 R N -0.419 120.074 120.500 -0.010 0.000 2.075 457 R HA 0.173 4.514 4.340 0.001 0.000 0.226 457 R C 2.948 179.242 176.300 -0.010 0.000 1.114 457 R CA 2.291 58.383 56.100 -0.012 0.000 0.972 457 R CB -1.822 28.471 30.300 -0.011 0.000 0.869 457 R HN 0.719 nan 8.270 nan 0.000 0.437 458 T N -0.284 114.265 114.554 -0.007 0.000 2.788 458 T HA 0.081 4.432 4.350 0.001 0.000 0.268 458 T C 2.554 177.251 174.700 -0.005 0.000 1.044 458 T CA 3.732 65.828 62.100 -0.006 0.000 1.139 458 T CB -0.607 68.258 68.868 -0.004 0.000 0.867 458 T HN 0.651 nan 8.240 nan 0.000 0.454 459 M N 0.818 120.415 119.600 -0.005 0.000 2.110 459 M HA 0.099 4.580 4.480 0.001 0.000 0.257 459 M C 2.715 179.013 176.300 -0.004 0.000 1.071 459 M CA 3.152 58.450 55.300 -0.004 0.000 1.096 459 M CB -2.463 30.134 32.600 -0.005 0.000 1.300 459 M HN 0.956 nan 8.290 nan 0.000 0.411 460 Y N 0.123 120.419 120.300 -0.007 0.000 2.274 460 Y HA -0.020 4.531 4.550 0.001 0.000 0.290 460 Y C 2.598 178.495 175.900 -0.006 0.000 1.145 460 Y CA 2.976 61.071 58.100 -0.008 0.000 1.203 460 Y CB -2.390 36.061 38.460 -0.016 0.000 0.984 460 Y HN 0.907 nan 8.280 nan 0.000 0.533 461 N N 0.633 119.329 118.700 -0.006 0.000 2.149 461 N HA -0.043 4.698 4.740 0.001 0.000 0.188 461 N C 2.313 177.823 175.510 -0.001 0.000 1.019 461 N CA 3.091 56.139 53.050 -0.004 0.000 0.857 461 N CB -1.094 37.390 38.487 -0.004 0.000 0.997 461 N HN 1.214 nan 8.380 nan 0.000 0.426 462 L N -0.487 120.737 121.223 0.001 0.000 1.933 462 L HA 0.146 4.487 4.340 0.001 0.000 0.220 462 L C 3.427 180.301 176.870 0.007 0.000 1.078 462 L CA 4.278 59.120 54.840 0.004 0.000 0.773 462 L CB -1.961 40.100 42.059 0.004 0.000 0.890 462 L HN 0.855 nan 8.230 nan 0.000 0.434 463 M N 0.064 119.670 119.600 0.010 0.000 2.419 463 M HA -0.046 4.435 4.480 0.001 0.000 0.260 463 M C 2.532 178.843 176.300 0.018 0.000 1.073 463 M CA 3.860 59.172 55.300 0.021 0.000 1.056 463 M CB -2.559 30.057 32.600 0.028 0.000 1.394 463 M HN 1.061 nan 8.290 nan 0.000 0.444 464 K N 0.374 120.778 120.400 0.007 0.000 1.974 464 K HA 0.153 4.474 4.320 0.001 0.000 0.211 464 K C 2.563 179.165 176.600 0.004 0.000 1.039 464 K CA 2.867 59.155 56.287 0.001 0.000 0.947 464 K CB -1.693 30.805 32.500 -0.003 0.000 0.735 464 K HN 0.913 nan 8.250 nan 0.000 0.441 465 K N 0.545 120.948 120.400 0.005 0.000 2.144 465 K HA -0.207 4.114 4.320 0.001 0.000 0.209 465 K C 2.505 179.109 176.600 0.007 0.000 1.047 465 K CA 2.770 59.060 56.287 0.005 0.000 0.927 465 K CB -1.703 30.799 32.500 0.004 0.000 0.716 465 K HN 0.870 nan 8.250 nan 0.000 0.454 466 E N -0.078 120.128 120.200 0.010 0.000 2.015 466 E HA 0.190 4.541 4.350 0.001 0.000 0.191 466 E C 2.727 179.336 176.600 0.015 0.000 0.991 466 E CA 2.239 58.647 56.400 0.014 0.000 0.802 466 E CB -1.392 28.320 29.700 0.019 0.000 0.759 466 E HN 1.094 nan 8.360 nan 0.000 0.447 467 L N 0.919 122.153 121.223 0.018 0.000 2.042 467 L HA 0.106 4.447 4.340 0.001 0.000 0.210 467 L C 3.114 179.984 176.870 -0.000 0.000 1.076 467 L CA 3.801 58.648 54.840 0.013 0.000 0.749 467 L CB -2.374 39.689 42.059 0.007 0.000 0.893 467 L HN 0.789 nan 8.230 nan 0.000 0.432 468 R N -0.031 120.469 120.500 -0.000 0.000 2.117 468 R HA -0.137 4.204 4.340 0.001 0.000 0.243 468 R C 2.403 178.704 176.300 0.002 0.000 1.143 468 R CA 3.197 59.297 56.100 0.000 0.000 0.968 468 R CB -1.938 28.364 30.300 0.003 0.000 0.863 468 R HN 1.027 nan 8.270 nan 0.000 0.444 469 E N 0.145 120.348 120.200 0.004 0.000 2.051 469 E HA 0.104 4.455 4.350 0.001 0.000 0.192 469 E C 2.621 179.223 176.600 0.003 0.000 0.991 469 E CA 2.077 58.480 56.400 0.004 0.000 0.799 469 E CB -1.219 28.484 29.700 0.006 0.000 0.748 469 E HN 0.996 nan 8.360 nan 0.000 0.449 470 V N 1.090 121.007 119.914 0.004 0.000 2.358 470 V HA 0.005 4.126 4.120 0.001 0.000 0.246 470 V C 2.838 178.931 176.094 -0.002 0.000 1.047 470 V CA 3.979 66.281 62.300 0.002 0.000 1.035 470 V CB -1.641 30.185 31.823 0.006 0.000 0.658 470 V HN 0.688 nan 8.190 nan 0.000 0.452 471 K N 0.091 120.489 120.400 -0.004 0.000 2.184 471 K HA -0.325 3.996 4.320 0.001 0.000 0.210 471 K C 2.320 178.919 176.600 -0.001 0.000 1.048 471 K CA 3.995 60.278 56.287 -0.006 0.000 0.931 471 K CB -1.447 31.050 32.500 -0.005 0.000 0.718 471 K HN 1.001 nan 8.250 nan 0.000 0.465 472 K N -0.637 119.763 120.400 0.001 0.000 2.157 472 K HA 0.355 4.676 4.320 0.001 0.000 0.207 472 K C 2.792 179.394 176.600 0.002 0.000 1.030 472 K CA 1.706 57.994 56.287 0.002 0.000 0.965 472 K CB -1.263 31.239 32.500 0.003 0.000 0.877 472 K HN 0.765 nan 8.250 nan 0.000 0.460 473 K N -0.303 120.098 120.400 0.002 0.000 1.969 473 K HA 0.112 4.433 4.320 0.001 0.000 0.223 473 K C 2.232 178.832 176.600 0.001 0.000 1.048 473 K CA 2.383 58.671 56.287 0.001 0.000 0.983 473 K CB -1.832 30.668 32.500 0.000 0.000 0.738 473 K HN 1.091 nan 8.250 nan 0.000 0.446 474 F N 1.768 121.718 119.950 -0.000 0.000 2.778 474 F HA 0.649 5.177 4.527 0.001 0.000 0.295 474 F C 1.130 176.929 175.800 -0.002 0.000 1.262 474 F CA -0.581 57.418 58.000 -0.001 0.000 1.429 474 F CB -1.766 37.233 39.000 -0.003 0.000 1.072 474 F HN 0.672 nan 8.300 nan 0.000 0.514 475 A N 0.761 123.580 122.820 -0.001 0.000 2.340 475 A HA 0.740 5.061 4.320 0.001 0.000 0.268 475 A C 0.585 178.169 177.584 -0.000 0.000 1.100 475 A CA 0.485 52.521 52.037 -0.002 0.000 0.803 475 A CB -0.100 18.900 19.000 -0.000 0.000 1.043 475 A HN 1.460 nan 8.150 nan 0.000 0.488 476 T N 1.709 116.262 114.554 -0.002 0.000 2.918 476 T HA 0.660 5.011 4.350 0.001 0.000 0.286 476 T C -1.217 173.484 174.700 0.002 0.000 1.026 476 T CA -1.877 60.223 62.100 0.000 0.000 1.031 476 T CB 0.255 69.121 68.868 -0.004 0.000 1.046 476 T HN 0.458 nan 8.240 nan 0.000 0.479 477 P HA 0.452 nan 4.420 nan 0.000 0.214 477 P C 0.373 177.676 177.300 0.005 0.000 1.206 477 P CA 0.668 63.772 63.100 0.007 0.000 0.715 477 P CB -0.097 31.609 31.700 0.011 0.000 0.633 478 R N -2.105 118.400 120.500 0.008 0.000 2.734 478 R HA 0.819 5.160 4.340 0.001 0.000 0.271 478 R C -0.823 175.486 176.300 0.015 0.000 1.021 478 R CA -0.071 56.033 56.100 0.006 0.000 0.893 478 R CB 0.278 30.581 30.300 0.005 0.000 1.244 478 R HN 0.635 nan 8.270 nan 0.000 0.464 479 L N 0.000 121.233 121.223 0.016 0.000 2.949 479 L HA 0.000 4.341 4.340 0.001 0.000 0.249 479 L CA 0.000 54.862 54.840 0.037 0.000 0.813 479 L CB 0.000 42.091 42.059 0.053 0.000 0.961 479 L HN 0.000 nan 8.230 nan 0.000 0.502