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 2w37_1_C DATA FIRST_RESID 3 DATA SEQUENCE KDFRQNVFQG RSVLAEKDFS AAELEYLIDF GLHLKALKKA GIPHHYLEGK DATA SEQUENCE NIALLFEKSS TRTRSAFTTA SIDLGAHPEY LGQNDIQLGK KESTSDTAKV DATA SEQUENCE LGSMFDGIEF RGFKQSDAEI LARDSGVPVW NGLTDEWHPT QMLADFMTVK DATA SEQUENCE ENFGKLQGLT LTFMGDGRNN VANSLLVTGA ILGVNIHIVA PKALFPTEET DATA SEQUENCE QNIAKGFAEK SGAKLVITDD LDEGLKGSNV VYTDVWVSMG ESNWEERVKE DATA SEQUENCE LTPYQVNMEA MKKTGTPDDQ LIFMHCLPAF HNTDTQYGKE IKEKYGITEM DATA SEQUENCE EVTDEVFTSK YARQFEEAEN RMHSIKAMMA ATLGNLFIPR V VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 K HA 0.000 nan 4.320 nan 0.000 0.191 3 K C 0.000 176.500 176.600 -0.167 0.000 0.988 3 K CA 0.000 56.194 56.287 -0.156 0.000 0.838 3 K CB 0.000 32.359 32.500 -0.235 0.000 1.064 4 D N 4.089 124.389 120.400 -0.168 0.000 2.344 4 D HA 0.168 4.808 4.640 -0.001 0.000 0.253 4 D C -0.076 176.130 176.300 -0.158 0.000 1.255 4 D CA -0.057 53.890 54.000 -0.089 0.000 0.894 4 D CB 0.183 40.956 40.800 -0.045 0.000 1.067 4 D HN 0.541 nan 8.370 nan 0.000 0.492 5 F N 2.184 122.151 119.950 0.027 0.000 2.732 5 F HA 0.180 4.707 4.527 -0.001 0.000 0.303 5 F C 1.460 177.299 175.800 0.065 0.000 1.110 5 F CA -0.347 57.674 58.000 0.035 0.000 1.355 5 F CB 0.319 39.328 39.000 0.015 0.000 1.081 5 F HN 0.008 nan 8.300 nan 0.000 0.565 6 R N 1.571 122.191 120.500 0.199 0.000 2.489 6 R HA 0.145 4.484 4.340 -0.001 0.000 0.287 6 R C -0.281 176.128 176.300 0.183 0.000 1.053 6 R CA 0.385 56.597 56.100 0.188 0.000 1.036 6 R CB 0.364 30.742 30.300 0.131 0.000 0.966 6 R HN 0.263 nan 8.270 nan 0.000 0.432 7 Q N 2.521 122.475 119.800 0.256 0.000 2.309 7 Q HA 0.292 4.632 4.340 -0.001 0.000 0.270 7 Q C -1.031 174.990 176.000 0.034 0.000 1.023 7 Q CA -0.709 55.178 55.803 0.139 0.000 0.758 7 Q CB 2.047 30.883 28.738 0.163 0.000 1.247 7 Q HN 0.367 nan 8.270 nan 0.000 0.455 8 N N 1.638 120.332 118.700 -0.010 0.000 2.839 8 N HA 0.019 4.758 4.740 -0.001 0.000 0.258 8 N C 0.027 175.507 175.510 -0.050 0.000 1.150 8 N CA -0.128 52.905 53.050 -0.030 0.000 0.957 8 N CB 1.788 40.311 38.487 0.060 0.000 1.560 8 N HN 0.389 nan 8.380 nan 0.000 0.588 9 V N 1.516 121.332 119.914 -0.163 0.000 2.515 9 V HA 0.066 4.185 4.120 -0.001 0.000 0.250 9 V C 1.434 177.375 176.094 -0.255 0.000 1.058 9 V CA 1.350 63.484 62.300 -0.276 0.000 1.064 9 V CB -0.920 30.623 31.823 -0.465 0.000 0.675 9 V HN 0.447 nan 8.190 nan 0.000 0.461 10 F N 0.159 120.101 119.950 -0.012 0.000 2.569 10 F HA 0.302 4.828 4.527 -0.001 0.000 0.295 10 F C 1.538 177.406 175.800 0.113 0.000 1.115 10 F CA 0.193 58.242 58.000 0.082 0.000 1.450 10 F CB -0.148 38.905 39.000 0.088 0.000 1.107 10 F HN 0.198 nan 8.300 nan 0.000 0.563 11 Q N 0.843 120.793 119.800 0.249 0.000 2.263 11 Q HA 0.302 4.641 4.340 -0.001 0.000 0.289 11 Q C 1.081 177.179 176.000 0.164 0.000 1.061 11 Q CA 1.018 56.944 55.803 0.205 0.000 0.927 11 Q CB 0.584 29.412 28.738 0.151 0.000 1.154 11 Q HN 0.502 nan 8.270 nan 0.000 0.378 12 G N 3.659 112.561 108.800 0.171 0.000 2.205 12 G HA2 -0.288 3.671 3.960 -0.001 0.000 0.261 12 G HA3 -0.288 3.671 3.960 -0.001 0.000 0.261 12 G C 0.068 175.025 174.900 0.096 0.000 0.980 12 G CA 0.213 45.379 45.100 0.111 0.000 0.632 12 G HN 0.590 nan 8.290 nan 0.000 0.533 13 R N 0.752 121.351 120.500 0.165 0.000 2.410 13 R HA 0.538 4.878 4.340 -0.001 0.000 0.288 13 R C 0.044 176.458 176.300 0.190 0.000 1.051 13 R CA -0.080 56.122 56.100 0.171 0.000 1.021 13 R CB 0.986 31.442 30.300 0.260 0.000 1.032 13 R HN 0.227 nan 8.270 nan 0.000 0.481 14 S N 0.911 116.682 115.700 0.118 0.000 2.610 14 S HA 0.260 4.730 4.470 -0.001 0.000 0.273 14 S C -0.243 174.546 174.600 0.316 0.000 1.274 14 S CA -0.668 57.588 58.200 0.092 0.000 1.023 14 S CB 1.546 64.738 63.200 -0.013 0.000 0.962 14 S HN 0.291 nan 8.310 nan 0.000 0.523 15 V N 4.167 124.308 119.914 0.378 0.000 2.266 15 V HA 0.271 4.390 4.120 -0.001 0.000 0.271 15 V C 0.283 176.587 176.094 0.350 0.000 1.032 15 V CA -0.164 62.439 62.300 0.505 0.000 0.806 15 V CB 0.258 32.345 31.823 0.440 0.000 1.052 15 V HN 0.822 nan 8.190 nan 0.000 0.449 16 L N 2.428 123.801 121.223 0.249 0.000 2.575 16 L HA 0.688 5.028 4.340 -0.001 0.000 0.228 16 L C 0.856 177.762 176.870 0.060 0.000 1.075 16 L CA 0.458 55.392 54.840 0.156 0.000 0.867 16 L CB 0.533 42.645 42.059 0.087 0.000 1.097 16 L HN 0.646 nan 8.230 nan 0.000 0.485 17 A N 0.168 122.937 122.820 -0.086 0.000 2.532 17 A HA 0.349 4.669 4.320 -0.001 0.000 0.296 17 A C 0.558 177.936 177.584 -0.343 0.000 1.058 17 A CA -0.550 51.136 52.037 -0.585 0.000 0.729 17 A CB 0.934 19.174 19.000 -1.267 0.000 1.285 17 A HN 0.131 nan 8.150 nan 0.000 0.396 18 E N 3.192 123.221 120.200 -0.285 0.000 2.110 18 E HA -0.289 4.060 4.350 -0.001 0.000 0.193 18 E C 1.419 177.916 176.600 -0.172 0.000 0.988 18 E CA 1.650 58.010 56.400 -0.066 0.000 0.804 18 E CB -0.487 29.223 29.700 0.015 0.000 0.745 18 E HN 0.878 nan 8.360 nan 0.000 0.458 19 K N 1.159 121.293 120.400 -0.443 0.000 2.360 19 K HA -0.149 4.170 4.320 -0.001 0.000 0.201 19 K C 0.828 177.255 176.600 -0.289 0.000 1.046 19 K CA 1.661 57.708 56.287 -0.401 0.000 0.940 19 K CB -0.005 32.357 32.500 -0.230 0.000 0.748 19 K HN -0.108 nan 8.250 nan 0.000 0.465 20 D N -0.194 120.021 120.400 -0.308 0.000 2.349 20 D HA 0.076 4.715 4.640 -0.001 0.000 0.224 20 D C -0.548 175.356 176.300 -0.660 0.000 1.029 20 D CA 0.544 54.276 54.000 -0.448 0.000 0.879 20 D CB 0.019 40.486 40.800 -0.554 0.000 0.906 20 D HN 0.162 nan 8.370 nan 0.000 0.528 21 F N 0.133 119.998 119.950 -0.141 0.000 2.563 21 F HA 0.288 4.815 4.527 -0.001 0.000 0.316 21 F C 0.845 176.562 175.800 -0.138 0.000 1.076 21 F CA -1.314 56.629 58.000 -0.095 0.000 0.921 21 F CB 1.349 40.340 39.000 -0.015 0.000 1.209 21 F HN -0.345 nan 8.300 nan 0.000 0.462 22 S N 0.917 116.659 115.700 0.071 0.000 2.624 22 S HA 0.512 4.982 4.470 -0.001 0.000 0.263 22 S C 1.073 175.675 174.600 0.004 0.000 1.287 22 S CA -0.255 57.941 58.200 -0.006 0.000 0.990 22 S CB 1.342 64.534 63.200 -0.013 0.000 0.950 22 S HN 0.848 nan 8.310 nan 0.000 0.561 23 A N 1.186 123.984 122.820 -0.037 0.000 1.972 23 A HA 0.122 4.442 4.320 -0.001 0.000 0.219 23 A C 2.327 179.916 177.584 0.008 0.000 1.169 23 A CA 1.737 53.749 52.037 -0.041 0.000 0.635 23 A CB -1.622 17.346 19.000 -0.053 0.000 0.810 23 A HN 1.263 nan 8.150 nan 0.000 0.446 24 A N -0.110 122.725 122.820 0.024 0.000 1.877 24 A HA -0.167 4.153 4.320 -0.001 0.000 0.216 24 A C 1.923 179.583 177.584 0.125 0.000 1.186 24 A CA 1.623 53.692 52.037 0.053 0.000 0.620 24 A CB -0.528 18.482 19.000 0.016 0.000 0.822 24 A HN 0.621 nan 8.150 nan 0.000 0.443 25 E N -0.167 120.113 120.200 0.133 0.000 2.077 25 E HA -0.144 4.206 4.350 -0.001 0.000 0.193 25 E C 1.963 178.748 176.600 0.309 0.000 0.989 25 E CA 1.194 57.768 56.400 0.291 0.000 0.800 25 E CB -0.295 29.571 29.700 0.276 0.000 0.746 25 E HN 0.625 nan 8.360 nan 0.000 0.452 26 L N 1.038 122.348 121.223 0.144 0.000 2.056 26 L HA -0.168 4.172 4.340 -0.001 0.000 0.207 26 L C 2.448 179.350 176.870 0.054 0.000 1.078 26 L CA 0.932 55.797 54.840 0.043 0.000 0.749 26 L CB -0.342 41.697 42.059 -0.034 0.000 0.901 26 L HN 0.087 nan 8.230 nan 0.000 0.433 27 E N -0.477 119.766 120.200 0.071 0.000 2.110 27 E HA -0.255 4.095 4.350 -0.001 0.000 0.193 27 E C 2.039 178.700 176.600 0.102 0.000 0.988 27 E CA 1.365 57.804 56.400 0.066 0.000 0.804 27 E CB -0.266 29.468 29.700 0.057 0.000 0.745 27 E HN 0.489 nan 8.360 nan 0.000 0.458 28 Y N 1.682 122.013 120.300 0.052 0.000 2.128 28 Y HA -0.225 4.325 4.550 -0.001 0.000 0.284 28 Y C 2.256 178.171 175.900 0.025 0.000 1.154 28 Y CA 1.516 59.648 58.100 0.053 0.000 1.149 28 Y CB -0.280 38.270 38.460 0.150 0.000 0.976 28 Y HN -0.065 nan 8.280 nan 0.000 0.505 29 L N -0.545 120.770 121.223 0.154 0.000 2.046 29 L HA -0.248 4.092 4.340 -0.001 0.000 0.208 29 L C 2.402 179.255 176.870 -0.027 0.000 1.077 29 L CA 1.510 56.350 54.840 0.000 0.000 0.747 29 L CB -0.604 41.384 42.059 -0.119 0.000 0.896 29 L HN 0.302 nan 8.230 nan 0.000 0.432 30 I N -0.123 120.441 120.570 -0.009 0.000 2.142 30 I HA -0.312 3.858 4.170 -0.001 0.000 0.240 30 I C 2.194 178.301 176.117 -0.017 0.000 1.078 30 I CA 1.391 62.689 61.300 -0.004 0.000 1.343 30 I CB -0.351 37.671 38.000 0.037 0.000 1.046 30 I HN 0.255 nan 8.210 nan 0.000 0.405 31 D N 0.410 120.791 120.400 -0.031 0.000 2.144 31 D HA -0.211 4.429 4.640 -0.001 0.000 0.199 31 D C 1.964 178.245 176.300 -0.031 0.000 0.984 31 D CA 1.171 55.141 54.000 -0.051 0.000 0.834 31 D CB -0.365 40.377 40.800 -0.096 0.000 0.955 31 D HN 0.191 nan 8.370 nan 0.000 0.465 32 F N 1.825 121.580 119.950 -0.325 0.000 2.161 32 F HA -0.065 4.462 4.527 -0.001 0.000 0.300 32 F C 2.273 177.985 175.800 -0.146 0.000 1.089 32 F CA 1.450 59.261 58.000 -0.316 0.000 1.282 32 F CB -0.818 37.929 39.000 -0.422 0.000 1.010 32 F HN -0.047 nan 8.300 nan 0.000 0.485 33 G N 0.355 109.096 108.800 -0.100 0.000 2.418 33 G HA2 -0.210 3.749 3.960 -0.001 0.000 0.217 33 G HA3 -0.210 3.749 3.960 -0.001 0.000 0.217 33 G C 1.896 176.718 174.900 -0.131 0.000 1.158 33 G CA 0.882 45.881 45.100 -0.168 0.000 0.771 33 G HN 0.424 nan 8.290 nan 0.000 0.545 34 L N -0.483 120.694 121.223 -0.076 0.000 2.141 34 L HA -0.020 4.319 4.340 -0.001 0.000 0.209 34 L C 2.552 179.370 176.870 -0.087 0.000 1.094 34 L CA 1.347 56.129 54.840 -0.097 0.000 0.763 34 L CB -0.446 41.581 42.059 -0.053 0.000 0.908 34 L HN 0.370 nan 8.230 nan 0.000 0.437 35 H N 0.273 119.283 119.070 -0.100 0.000 2.293 35 H HA -0.150 4.406 4.556 -0.001 0.000 0.300 35 H C 2.232 177.478 175.328 -0.136 0.000 1.082 35 H CA 1.715 57.720 56.048 -0.072 0.000 1.308 35 H CB 0.036 29.811 29.762 0.023 0.000 1.375 35 H HN 0.134 nan 8.280 nan 0.000 0.495 36 L N 0.341 121.518 121.223 -0.076 0.000 2.083 36 L HA -0.178 4.161 4.340 -0.001 0.000 0.209 36 L C 2.670 179.329 176.870 -0.351 0.000 1.083 36 L CA 1.691 56.350 54.840 -0.301 0.000 0.752 36 L CB -0.440 41.388 42.059 -0.386 0.000 0.899 36 L HN 0.347 nan 8.230 nan 0.000 0.433 37 K N 0.583 120.745 120.400 -0.396 0.000 2.032 37 K HA -0.221 4.099 4.320 -0.001 0.000 0.209 37 K C 2.167 178.541 176.600 -0.375 0.000 1.048 37 K CA 1.542 57.446 56.287 -0.640 0.000 0.927 37 K CB -0.145 31.851 32.500 -0.840 0.000 0.712 37 K HN 0.243 nan 8.250 nan 0.000 0.441 38 A N 1.097 123.730 122.820 -0.312 0.000 1.883 38 A HA -0.170 4.150 4.320 -0.001 0.000 0.217 38 A C 2.037 179.482 177.584 -0.233 0.000 1.186 38 A CA 1.476 53.363 52.037 -0.250 0.000 0.624 38 A CB -0.738 18.108 19.000 -0.256 0.000 0.822 38 A HN 0.302 nan 8.150 nan 0.000 0.444 39 L N -0.042 121.000 121.223 -0.302 0.000 1.971 39 L HA -0.230 4.110 4.340 -0.001 0.000 0.215 39 L C 2.481 179.295 176.870 -0.094 0.000 1.072 39 L CA 2.572 57.276 54.840 -0.228 0.000 0.758 39 L CB -0.860 40.990 42.059 -0.349 0.000 0.889 39 L HN 0.554 nan 8.230 nan 0.000 0.433 40 K N -0.731 119.626 120.400 -0.072 0.000 2.063 40 K HA -0.250 4.070 4.320 -0.001 0.000 0.208 40 K C 2.139 178.737 176.600 -0.003 0.000 1.048 40 K CA 1.540 57.857 56.287 0.051 0.000 0.928 40 K CB 0.018 32.583 32.500 0.107 0.000 0.713 40 K HN 0.006 nan 8.250 nan 0.000 0.442 41 K N 0.092 120.459 120.400 -0.055 0.000 2.147 41 K HA -0.063 4.257 4.320 -0.001 0.000 0.205 41 K C 1.648 178.221 176.600 -0.044 0.000 1.049 41 K CA 1.413 57.669 56.287 -0.051 0.000 0.936 41 K CB -0.140 32.311 32.500 -0.081 0.000 0.722 41 K HN 0.300 nan 8.250 nan 0.000 0.446 42 A N -0.647 122.141 122.820 -0.052 0.000 2.251 42 A HA 0.289 4.608 4.320 -0.001 0.000 0.209 42 A C 1.276 178.847 177.584 -0.023 0.000 1.187 42 A CA 0.680 52.692 52.037 -0.041 0.000 0.823 42 A CB -0.433 18.535 19.000 -0.055 0.000 0.846 42 A HN 0.328 nan 8.150 nan 0.000 0.486 43 G N -0.396 108.396 108.800 -0.012 0.000 2.198 43 G HA2 -0.243 3.717 3.960 -0.001 0.000 0.260 43 G HA3 -0.243 3.717 3.960 -0.001 0.000 0.260 43 G C 0.040 174.938 174.900 -0.002 0.000 1.025 43 G CA 0.385 45.482 45.100 -0.006 0.000 0.769 43 G HN 0.511 nan 8.290 nan 0.000 0.507 44 I N 1.572 122.149 120.570 0.013 0.000 2.379 44 I HA 0.235 4.405 4.170 -0.001 0.000 0.290 44 I C -1.642 174.516 176.117 0.068 0.000 1.063 44 I CA -2.150 59.167 61.300 0.030 0.000 1.351 44 I CB 0.995 39.005 38.000 0.017 0.000 1.410 44 I HN -0.103 nan 8.210 nan 0.000 0.505 45 P HA 0.023 nan 4.420 nan 0.000 0.268 45 P C -0.532 176.643 177.300 -0.208 0.000 1.205 45 P CA 0.283 63.249 63.100 -0.224 0.000 0.771 45 P CB 0.319 31.955 31.700 -0.107 0.000 0.858 46 H N 0.490 119.198 119.070 -0.604 0.000 3.080 46 H HA 0.145 4.701 4.556 -0.001 0.000 0.211 46 H C -0.593 174.147 175.328 -0.981 0.000 1.359 46 H CA -0.393 55.149 56.048 -0.843 0.000 1.322 46 H CB -0.896 28.382 29.762 -0.806 0.000 2.164 46 H HN 0.470 nan 8.280 nan 0.000 0.526 47 H N 1.876 120.712 119.070 -0.390 0.000 3.268 47 H HA 0.034 4.590 4.556 -0.001 0.000 0.213 47 H C 0.272 175.603 175.328 0.005 0.000 1.858 47 H CA -0.001 55.931 56.048 -0.194 0.000 1.386 47 H CB -0.597 29.111 29.762 -0.090 0.000 1.734 47 H HN 0.619 nan 8.280 nan 0.000 0.612 48 Y N 0.081 120.491 120.300 0.183 0.000 2.497 48 Y HA -0.051 4.498 4.550 -0.001 0.000 0.292 48 Y C 1.714 177.718 175.900 0.173 0.000 1.137 48 Y CA 0.258 58.467 58.100 0.183 0.000 1.285 48 Y CB 0.406 38.987 38.460 0.202 0.000 0.991 48 Y HN 0.274 nan 8.280 nan 0.000 0.556 49 L N 0.590 121.985 121.223 0.288 0.000 2.965 49 L HA 0.134 4.473 4.340 -0.001 0.000 0.254 49 L C 0.408 177.390 176.870 0.187 0.000 1.220 49 L CA -0.171 54.809 54.840 0.234 0.000 1.023 49 L CB -0.097 42.093 42.059 0.218 0.000 1.355 49 L HN 0.129 nan 8.230 nan 0.000 0.545 50 E N 1.216 121.522 120.200 0.176 0.000 2.652 50 E HA -0.016 4.334 4.350 -0.001 0.000 0.255 50 E C 1.311 177.971 176.600 0.100 0.000 0.952 50 E CA 1.036 57.505 56.400 0.114 0.000 0.947 50 E CB 0.361 30.125 29.700 0.106 0.000 0.912 50 E HN 0.446 nan 8.360 nan 0.000 0.489 51 G N 3.806 112.650 108.800 0.074 0.000 2.184 51 G HA2 -0.331 3.628 3.960 -0.001 0.000 0.264 51 G HA3 -0.331 3.628 3.960 -0.001 0.000 0.264 51 G C 0.086 175.045 174.900 0.099 0.000 0.975 51 G CA 0.607 45.750 45.100 0.071 0.000 0.642 51 G HN 0.546 nan 8.290 nan 0.000 0.536 52 K N 0.656 121.137 120.400 0.136 0.000 2.154 52 K HA 0.386 4.706 4.320 -0.001 0.000 0.264 52 K C -0.045 176.677 176.600 0.204 0.000 1.008 52 K CA -0.566 55.822 56.287 0.167 0.000 0.937 52 K CB 0.441 33.062 32.500 0.202 0.000 1.002 52 K HN 0.163 nan 8.250 nan 0.000 0.469 53 N N 2.181 121.013 118.700 0.219 0.000 2.421 53 N HA 0.371 5.111 4.740 -0.001 0.000 0.285 53 N C -0.757 175.030 175.510 0.462 0.000 1.027 53 N CA -0.317 52.922 53.050 0.316 0.000 0.918 53 N CB 1.361 39.948 38.487 0.166 0.000 1.152 53 N HN 0.348 nan 8.380 nan 0.000 0.485 54 I N 1.206 122.062 120.570 0.477 0.000 2.466 54 I HA 0.352 4.522 4.170 -0.001 0.000 0.289 54 I C -0.132 176.066 176.117 0.135 0.000 1.026 54 I CA -0.931 60.592 61.300 0.372 0.000 1.078 54 I CB 1.922 40.130 38.000 0.346 0.000 1.249 54 I HN 0.398 nan 8.210 nan 0.000 0.429 55 A N 7.819 130.461 122.820 -0.297 0.000 2.276 55 A HA 0.690 5.010 4.320 -0.001 0.000 0.300 55 A C -0.500 176.926 177.584 -0.263 0.000 1.235 55 A CA -0.349 51.263 52.037 -0.707 0.000 0.867 55 A CB 0.182 18.389 19.000 -1.321 0.000 1.137 55 A HN 0.705 nan 8.150 nan 0.000 0.527 56 L N 4.492 125.633 121.223 -0.138 0.000 2.272 56 L HA 0.330 4.670 4.340 -0.001 0.000 0.284 56 L C -0.669 176.161 176.870 -0.066 0.000 1.045 56 L CA -0.161 54.647 54.840 -0.053 0.000 0.842 56 L CB 0.456 42.642 42.059 0.212 0.000 1.224 56 L HN 0.561 nan 8.230 nan 0.000 0.430 57 L N 3.476 124.553 121.223 -0.244 0.000 2.276 57 L HA 0.455 4.794 4.340 -0.001 0.000 0.286 57 L C -0.824 175.768 176.870 -0.462 0.000 1.061 57 L CA -0.118 54.596 54.840 -0.211 0.000 0.807 57 L CB 0.743 42.772 42.059 -0.051 0.000 1.177 57 L HN 0.392 nan 8.230 nan 0.000 0.429 58 F N 1.422 121.249 119.950 -0.205 0.000 2.500 58 F HA 0.280 4.806 4.527 -0.001 0.000 0.349 58 F C 1.190 176.866 175.800 -0.207 0.000 1.127 58 F CA -0.528 57.351 58.000 -0.201 0.000 0.998 58 F CB 1.551 40.556 39.000 0.008 0.000 1.237 58 F HN 0.525 nan 8.300 nan 0.000 0.439 59 E N 1.710 121.791 120.200 -0.198 0.000 2.150 59 E HA -0.057 4.293 4.350 -0.001 0.000 0.193 59 E C 0.270 176.812 176.600 -0.095 0.000 0.985 59 E CA 1.005 57.322 56.400 -0.139 0.000 0.814 59 E CB 0.389 29.952 29.700 -0.228 0.000 0.752 59 E HN 0.415 nan 8.360 nan 0.000 0.466 60 K N 0.360 120.679 120.400 -0.136 0.000 2.426 60 K HA 0.239 4.559 4.320 -0.001 0.000 0.251 60 K C -0.819 175.818 176.600 0.063 0.000 0.941 60 K CA -0.475 55.790 56.287 -0.037 0.000 0.808 60 K CB 2.272 34.698 32.500 -0.124 0.000 1.265 60 K HN -0.157 nan 8.250 nan 0.000 0.432 61 S N 0.767 116.501 115.700 0.056 0.000 2.575 61 S HA -0.023 4.446 4.470 -0.001 0.000 0.295 61 S C -0.232 174.357 174.600 -0.019 0.000 1.267 61 S CA 0.543 58.749 58.200 0.010 0.000 1.074 61 S CB -0.059 63.140 63.200 -0.002 0.000 0.829 61 S HN 0.487 nan 8.310 nan 0.000 0.497 62 S N 3.449 119.070 115.700 -0.133 0.000 2.488 62 S HA 0.256 4.726 4.470 -0.001 0.000 0.151 62 S C 0.759 175.217 174.600 -0.237 0.000 1.401 62 S CA -0.628 57.533 58.200 -0.066 0.000 1.221 62 S CB 0.331 63.648 63.200 0.194 0.000 1.407 62 S HN 0.811 nan 8.310 nan 0.000 0.406 63 T N 2.033 116.465 114.554 -0.205 0.000 2.857 63 T HA -0.043 4.307 4.350 -0.001 0.000 0.266 63 T C 1.935 176.553 174.700 -0.137 0.000 1.048 63 T CA 0.922 62.872 62.100 -0.249 0.000 1.139 63 T CB -0.079 68.673 68.868 -0.194 0.000 0.874 63 T HN 0.509 nan 8.240 nan 0.000 0.455 64 R N 0.680 121.155 120.500 -0.042 0.000 2.073 64 R HA -0.107 4.232 4.340 -0.001 0.000 0.234 64 R C 2.413 178.752 176.300 0.065 0.000 1.134 64 R CA 1.797 57.904 56.100 0.012 0.000 0.952 64 R CB -0.506 29.821 30.300 0.046 0.000 0.850 64 R HN 0.244 nan 8.270 nan 0.000 0.433 65 T N 0.369 115.008 114.554 0.142 0.000 2.777 65 T HA -0.141 4.209 4.350 -0.001 0.000 0.266 65 T C 1.706 176.654 174.700 0.413 0.000 1.040 65 T CA 1.360 63.656 62.100 0.327 0.000 1.141 65 T CB -0.251 68.902 68.868 0.475 0.000 0.868 65 T HN 0.312 nan 8.240 nan 0.000 0.444 66 R N 0.880 121.460 120.500 0.133 0.000 2.096 66 R HA -0.118 4.221 4.340 -0.001 0.000 0.240 66 R C 2.532 178.873 176.300 0.068 0.000 1.139 66 R CA 1.828 57.916 56.100 -0.019 0.000 0.952 66 R CB -0.387 29.520 30.300 -0.656 0.000 0.854 66 R HN 0.259 nan 8.270 nan 0.000 0.436 67 S N 0.340 116.034 115.700 -0.010 0.000 2.355 67 S HA -0.105 4.365 4.470 -0.001 0.000 0.222 67 S C 2.000 176.604 174.600 0.006 0.000 1.031 67 S CA 1.113 59.301 58.200 -0.020 0.000 0.993 67 S CB -0.236 62.933 63.200 -0.051 0.000 0.859 67 S HN 0.576 nan 8.310 nan 0.000 0.453 68 A N 0.884 123.713 122.820 0.016 0.000 1.883 68 A HA -0.100 4.220 4.320 -0.001 0.000 0.217 68 A C 1.883 179.411 177.584 -0.093 0.000 1.186 68 A CA 1.532 53.525 52.037 -0.073 0.000 0.624 68 A CB -0.969 17.970 19.000 -0.102 0.000 0.822 68 A HN 0.470 nan 8.150 nan 0.000 0.444 69 F N 0.478 120.422 119.950 -0.009 0.000 2.186 69 F HA -0.114 4.413 4.527 -0.001 0.000 0.299 69 F C 2.747 178.539 175.800 -0.015 0.000 1.090 69 F CA 1.898 59.894 58.000 -0.007 0.000 1.307 69 F CB -0.500 38.557 39.000 0.096 0.000 1.019 69 F HN 0.167 nan 8.300 nan 0.000 0.489 70 T N -1.231 113.425 114.554 0.169 0.000 2.732 70 T HA -0.158 4.192 4.350 -0.001 0.000 0.261 70 T C 2.182 176.897 174.700 0.025 0.000 1.040 70 T CA 2.018 64.165 62.100 0.079 0.000 1.145 70 T CB -0.691 68.196 68.868 0.032 0.000 0.866 70 T HN 0.384 nan 8.240 nan 0.000 0.427 71 T N 1.195 115.743 114.554 -0.010 0.000 2.821 71 T HA 0.089 4.439 4.350 -0.001 0.000 0.267 71 T C 2.292 176.960 174.700 -0.054 0.000 1.046 71 T CA 1.051 63.129 62.100 -0.037 0.000 1.139 71 T CB -0.652 68.178 68.868 -0.064 0.000 0.871 71 T HN 0.306 nan 8.240 nan 0.000 0.454 72 A N 2.015 124.780 122.820 -0.091 0.000 1.873 72 A HA -0.095 4.225 4.320 -0.001 0.000 0.218 72 A C 2.741 180.289 177.584 -0.060 0.000 1.193 72 A CA 2.292 54.258 52.037 -0.118 0.000 0.629 72 A CB -1.365 17.496 19.000 -0.233 0.000 0.826 72 A HN 0.535 nan 8.150 nan 0.000 0.447 73 S N -0.143 115.549 115.700 -0.014 0.000 2.359 73 S HA -0.171 4.299 4.470 -0.001 0.000 0.223 73 S C 1.839 176.472 174.600 0.055 0.000 1.039 73 S CA 1.620 59.846 58.200 0.043 0.000 1.042 73 S CB -0.439 62.813 63.200 0.087 0.000 0.915 73 S HN 0.471 nan 8.310 nan 0.000 0.439 74 I N 2.106 122.702 120.570 0.043 0.000 2.179 74 I HA -0.154 4.015 4.170 -0.001 0.000 0.242 74 I C 1.918 178.065 176.117 0.049 0.000 1.088 74 I CA 1.411 62.744 61.300 0.055 0.000 1.357 74 I CB -1.588 36.439 38.000 0.045 0.000 1.051 74 I HN 0.195 nan 8.210 nan 0.000 0.409 75 D N 0.873 121.269 120.400 -0.006 0.000 2.149 75 D HA -0.154 4.485 4.640 -0.001 0.000 0.198 75 D C 2.239 178.437 176.300 -0.169 0.000 0.990 75 D CA 1.057 54.997 54.000 -0.099 0.000 0.839 75 D CB -0.224 40.528 40.800 -0.080 0.000 0.948 75 D HN 0.318 nan 8.370 nan 0.000 0.460 76 L N -1.109 120.093 121.223 -0.035 0.000 2.554 76 L HA 0.179 4.519 4.340 -0.001 0.000 0.226 76 L C 1.575 178.535 176.870 0.151 0.000 1.137 76 L CA 0.491 55.338 54.840 0.011 0.000 0.863 76 L CB 0.020 42.112 42.059 0.055 0.000 0.985 76 L HN 0.174 nan 8.230 nan 0.000 0.451 77 G N -0.184 108.730 108.800 0.189 0.000 2.175 77 G HA2 -0.217 3.743 3.960 -0.001 0.000 0.244 77 G HA3 -0.217 3.743 3.960 -0.001 0.000 0.244 77 G C 0.253 175.218 174.900 0.108 0.000 0.982 77 G CA -0.044 45.128 45.100 0.120 0.000 0.641 77 G HN 0.475 nan 8.290 nan 0.000 0.527 78 A N 0.169 123.072 122.820 0.139 0.000 2.295 78 A HA 0.723 5.042 4.320 -0.001 0.000 0.318 78 A C -0.101 177.601 177.584 0.197 0.000 1.134 78 A CA -0.286 51.856 52.037 0.174 0.000 0.827 78 A CB 0.704 19.820 19.000 0.193 0.000 1.136 78 A HN 0.742 nan 8.150 nan 0.000 0.493 79 H N 3.049 122.201 119.070 0.137 0.000 2.541 79 H HA 0.413 4.969 4.556 -0.001 0.000 0.316 79 H C -2.691 172.755 175.328 0.196 0.000 1.043 79 H CA -1.821 54.311 56.048 0.139 0.000 1.232 79 H CB 1.593 31.423 29.762 0.114 0.000 1.406 79 H HN 0.432 nan 8.280 nan 0.000 0.469 80 P HA 0.172 nan 4.420 nan 0.000 0.290 80 P C -0.685 176.443 177.300 -0.286 0.000 1.276 80 P CA -0.483 62.524 63.100 -0.155 0.000 0.808 80 P CB 1.871 33.549 31.700 -0.038 0.000 0.966 81 E N 2.337 122.535 120.200 -0.003 0.000 2.176 81 E HA 0.270 4.620 4.350 -0.001 0.000 0.267 81 E C -1.601 175.065 176.600 0.108 0.000 0.893 81 E CA -0.931 55.526 56.400 0.094 0.000 0.761 81 E CB 0.644 30.497 29.700 0.254 0.000 1.133 81 E HN 0.309 nan 8.360 nan 0.000 0.409 82 Y N 5.364 125.680 120.300 0.027 0.000 2.393 82 Y HA 0.404 4.954 4.550 -0.001 0.000 0.338 82 Y C -1.166 174.764 175.900 0.050 0.000 1.029 82 Y CA -0.423 57.706 58.100 0.048 0.000 1.239 82 Y CB 0.378 38.851 38.460 0.021 0.000 1.170 82 Y HN 0.493 nan 8.280 nan 0.000 0.515 83 L N 7.895 128.854 121.223 -0.439 0.000 2.353 83 L HA 0.547 4.887 4.340 -0.001 0.000 0.270 83 L C 0.567 177.074 176.870 -0.606 0.000 1.003 83 L CA -0.583 53.993 54.840 -0.439 0.000 0.862 83 L CB 1.085 43.019 42.059 -0.208 0.000 1.221 83 L HN 0.868 nan 8.230 nan 0.000 0.430 84 G N 0.990 109.316 108.800 -0.790 0.000 2.583 84 G HA2 0.205 4.164 3.960 -0.001 0.000 0.280 84 G HA3 0.205 4.164 3.960 -0.001 0.000 0.280 84 G C 0.718 175.527 174.900 -0.153 0.000 1.376 84 G CA -0.218 44.583 45.100 -0.498 0.000 1.043 84 G HN 0.615 nan 8.290 nan 0.000 0.538 85 Q N -0.441 119.341 119.800 -0.030 0.000 2.135 85 Q HA -0.174 4.166 4.340 -0.001 0.000 0.204 85 Q C 1.579 177.586 176.000 0.013 0.000 0.981 85 Q CA 1.886 57.698 55.803 0.015 0.000 0.856 85 Q CB -0.494 28.277 28.738 0.055 0.000 0.902 85 Q HN 0.670 nan 8.270 nan 0.000 0.425 86 N N 0.728 119.432 118.700 0.007 0.000 2.494 86 N HA -0.046 4.693 4.740 -0.001 0.000 0.182 86 N C 0.653 176.161 175.510 -0.002 0.000 1.076 86 N CA 0.726 53.783 53.050 0.012 0.000 0.908 86 N CB 0.232 38.733 38.487 0.024 0.000 0.967 86 N HN 0.274 nan 8.380 nan 0.000 0.449 87 D N 0.095 120.476 120.400 -0.033 0.000 2.394 87 D HA 0.182 4.821 4.640 -0.001 0.000 0.226 87 D C 0.185 176.469 176.300 -0.028 0.000 0.990 87 D CA 0.460 54.437 54.000 -0.040 0.000 0.902 87 D CB 1.335 42.080 40.800 -0.091 0.000 1.038 87 D HN 0.134 nan 8.370 nan 0.000 0.499 88 I N 0.649 121.201 120.570 -0.030 0.000 2.619 88 I HA 0.149 4.318 4.170 -0.001 0.000 0.292 88 I C -1.554 174.576 176.117 0.022 0.000 1.100 88 I CA -0.556 60.740 61.300 -0.007 0.000 1.043 88 I CB 1.890 39.879 38.000 -0.019 0.000 1.239 88 I HN -0.326 nan 8.210 nan 0.000 0.420 89 Q N 7.105 126.925 119.800 0.034 0.000 2.616 89 Q HA 0.408 4.747 4.340 -0.001 0.000 0.250 89 Q C -1.329 174.702 176.000 0.052 0.000 0.991 89 Q CA -0.590 55.247 55.803 0.056 0.000 0.707 89 Q CB 1.519 30.289 28.738 0.054 0.000 1.247 89 Q HN 0.394 nan 8.270 nan 0.000 0.491 90 L N 2.015 123.277 121.223 0.066 0.000 2.584 90 L HA 0.248 4.587 4.340 -0.001 0.000 0.272 90 L C 1.439 178.329 176.870 0.033 0.000 1.195 90 L CA 1.902 56.763 54.840 0.034 0.000 0.920 90 L CB -0.204 41.867 42.059 0.019 0.000 1.173 90 L HN 0.926 nan 8.230 nan 0.000 0.489 91 G N 2.264 111.071 108.800 0.011 0.000 2.162 91 G HA2 -0.336 3.624 3.960 -0.001 0.000 0.260 91 G HA3 -0.336 3.624 3.960 -0.001 0.000 0.260 91 G C 1.339 176.251 174.900 0.020 0.000 0.976 91 G CA 0.632 45.739 45.100 0.011 0.000 0.655 91 G HN 0.601 nan 8.290 nan 0.000 0.533 92 K N 0.051 120.467 120.400 0.027 0.000 2.017 92 K HA 0.152 4.471 4.320 -0.001 0.000 0.207 92 K C 2.316 178.927 176.600 0.019 0.000 1.035 92 K CA 1.188 57.491 56.287 0.027 0.000 0.947 92 K CB -0.093 32.428 32.500 0.035 0.000 0.749 92 K HN 0.301 nan 8.250 nan 0.000 0.443 93 K N 0.126 120.536 120.400 0.018 0.000 2.214 93 K HA 0.021 4.340 4.320 -0.001 0.000 0.201 93 K C 0.167 176.773 176.600 0.010 0.000 1.049 93 K CA 0.238 56.533 56.287 0.014 0.000 0.978 93 K CB 0.601 33.110 32.500 0.015 0.000 0.842 93 K HN 0.076 nan 8.250 nan 0.000 0.474 94 E N 0.908 121.113 120.200 0.009 0.000 2.238 94 E HA 0.129 4.479 4.350 -0.001 0.000 0.267 94 E C -1.156 175.444 176.600 -0.001 0.000 0.887 94 E CA -0.685 55.718 56.400 0.004 0.000 0.769 94 E CB 1.652 31.355 29.700 0.005 0.000 1.187 94 E HN 0.198 nan 8.360 nan 0.000 0.416 95 S N 2.354 118.051 115.700 -0.005 0.000 2.560 95 S HA 0.007 4.476 4.470 -0.001 0.000 0.284 95 S C 0.980 175.566 174.600 -0.023 0.000 1.327 95 S CA -0.067 58.125 58.200 -0.012 0.000 1.055 95 S CB 1.255 64.447 63.200 -0.013 0.000 0.868 95 S HN 0.600 nan 8.310 nan 0.000 0.506 96 T N 2.538 117.070 114.554 -0.036 0.000 2.803 96 T HA -0.147 4.202 4.350 -0.001 0.000 0.269 96 T C 2.094 176.753 174.700 -0.068 0.000 1.052 96 T CA 1.677 63.738 62.100 -0.065 0.000 1.136 96 T CB -0.577 68.235 68.868 -0.093 0.000 0.864 96 T HN 0.792 nan 8.240 nan 0.000 0.467 97 S N 1.247 116.916 115.700 -0.052 0.000 2.348 97 S HA -0.184 4.286 4.470 -0.001 0.000 0.221 97 S C 1.754 176.334 174.600 -0.034 0.000 1.033 97 S CA 1.611 59.783 58.200 -0.046 0.000 1.010 97 S CB -0.556 62.623 63.200 -0.035 0.000 0.891 97 S HN 0.375 nan 8.310 nan 0.000 0.442 98 D N 0.767 121.153 120.400 -0.023 0.000 2.123 98 D HA -0.060 4.580 4.640 -0.001 0.000 0.196 98 D C 2.151 178.445 176.300 -0.010 0.000 0.992 98 D CA 1.756 55.748 54.000 -0.013 0.000 0.833 98 D CB -1.031 39.765 40.800 -0.007 0.000 0.954 98 D HN 0.467 nan 8.370 nan 0.000 0.455 99 T N 0.570 115.114 114.554 -0.017 0.000 2.746 99 T HA -0.118 4.231 4.350 -0.001 0.000 0.267 99 T C 2.032 176.721 174.700 -0.018 0.000 1.039 99 T CA 1.530 63.622 62.100 -0.013 0.000 1.142 99 T CB -0.395 68.459 68.868 -0.023 0.000 0.866 99 T HN 0.208 nan 8.240 nan 0.000 0.444 100 A N 1.966 124.760 122.820 -0.043 0.000 1.892 100 A HA -0.200 4.120 4.320 -0.001 0.000 0.218 100 A C 2.282 179.854 177.584 -0.021 0.000 1.188 100 A CA 1.832 53.838 52.037 -0.051 0.000 0.631 100 A CB -0.520 18.434 19.000 -0.077 0.000 0.822 100 A HN 0.467 nan 8.150 nan 0.000 0.447 101 K N -0.623 119.768 120.400 -0.015 0.000 2.002 101 K HA -0.090 4.230 4.320 -0.001 0.000 0.209 101 K C 1.954 178.564 176.600 0.017 0.000 1.048 101 K CA 1.551 57.837 56.287 -0.002 0.000 0.930 101 K CB -0.460 32.037 32.500 -0.005 0.000 0.714 101 K HN 0.319 nan 8.250 nan 0.000 0.438 102 V N 1.647 121.575 119.914 0.024 0.000 2.295 102 V HA -0.245 3.875 4.120 -0.001 0.000 0.246 102 V C 2.262 178.408 176.094 0.087 0.000 1.049 102 V CA 1.367 63.693 62.300 0.044 0.000 1.024 102 V CB -0.450 31.398 31.823 0.041 0.000 0.648 102 V HN 0.216 nan 8.190 nan 0.000 0.447 103 L N 1.279 122.565 121.223 0.106 0.000 2.021 103 L HA -0.185 4.154 4.340 -0.001 0.000 0.215 103 L C 2.523 179.525 176.870 0.219 0.000 1.074 103 L CA 2.521 57.480 54.840 0.199 0.000 0.760 103 L CB -1.774 40.330 42.059 0.076 0.000 0.889 103 L HN 0.405 nan 8.230 nan 0.000 0.433 104 G N -2.078 106.781 108.800 0.099 0.000 2.509 104 G HA2 -0.193 3.766 3.960 -0.001 0.000 0.218 104 G HA3 -0.193 3.766 3.960 -0.001 0.000 0.218 104 G C 1.593 176.534 174.900 0.069 0.000 1.124 104 G CA 0.969 46.113 45.100 0.072 0.000 0.776 104 G HN 0.555 nan 8.290 nan 0.000 0.547 105 S N -0.842 114.893 115.700 0.059 0.000 2.527 105 S HA 0.217 4.687 4.470 -0.001 0.000 0.222 105 S C 2.024 176.623 174.600 -0.002 0.000 0.985 105 S CA 0.508 58.723 58.200 0.026 0.000 0.921 105 S CB -0.011 63.199 63.200 0.016 0.000 0.772 105 S HN 0.333 nan 8.310 nan 0.000 0.529 106 M N -0.771 118.823 119.600 -0.010 0.000 2.669 106 M HA 0.428 4.908 4.480 -0.001 0.000 0.248 106 M C -0.631 175.489 176.300 -0.300 0.000 1.382 106 M CA 0.215 55.400 55.300 -0.191 0.000 1.158 106 M CB 0.522 32.933 32.600 -0.314 0.000 1.371 106 M HN 0.178 nan 8.290 nan 0.000 0.540 107 F N 0.861 120.834 119.950 0.039 0.000 2.432 107 F HA 0.223 4.749 4.527 -0.001 0.000 0.329 107 F C 1.130 176.960 175.800 0.049 0.000 1.076 107 F CA -0.633 57.400 58.000 0.055 0.000 1.018 107 F CB 0.716 39.748 39.000 0.053 0.000 1.201 107 F HN -0.017 nan 8.300 nan 0.000 0.489 108 D N 0.623 121.190 120.400 0.279 0.000 2.346 108 D HA 0.189 4.828 4.640 -0.001 0.000 0.206 108 D C 0.691 177.086 176.300 0.158 0.000 1.001 108 D CA 0.532 54.647 54.000 0.192 0.000 0.871 108 D CB 0.771 41.689 40.800 0.196 0.000 0.943 108 D HN 0.634 nan 8.370 nan 0.000 0.518 109 G N 0.279 109.178 108.800 0.166 0.000 2.684 109 G HA2 0.620 4.580 3.960 -0.001 0.000 0.290 109 G HA3 0.620 4.580 3.960 -0.001 0.000 0.290 109 G C -1.617 173.232 174.900 -0.085 0.000 1.425 109 G CA -0.608 44.436 45.100 -0.093 0.000 0.822 109 G HN 0.002 nan 8.290 nan 0.000 0.482 110 I N 0.801 121.161 120.570 -0.351 0.000 2.534 110 I HA 0.275 4.444 4.170 -0.001 0.000 0.286 110 I C -0.618 175.425 176.117 -0.123 0.000 1.094 110 I CA -0.717 60.467 61.300 -0.194 0.000 1.055 110 I CB 2.259 40.140 38.000 -0.199 0.000 1.225 110 I HN 0.380 nan 8.210 nan 0.000 0.435 111 E N 6.347 126.544 120.200 -0.005 0.000 2.283 111 E HA 0.285 4.634 4.350 -0.001 0.000 0.278 111 E C -1.910 174.555 176.600 -0.224 0.000 1.027 111 E CA -0.286 56.023 56.400 -0.151 0.000 0.843 111 E CB 1.742 31.026 29.700 -0.693 0.000 1.062 111 E HN 0.404 nan 8.360 nan 0.000 0.401 112 F N 5.420 125.162 119.950 -0.346 0.000 2.507 112 F HA 0.395 4.922 4.527 -0.001 0.000 0.328 112 F C -0.819 174.747 175.800 -0.390 0.000 1.136 112 F CA -0.879 56.906 58.000 -0.357 0.000 0.930 112 F CB 1.001 39.876 39.000 -0.209 0.000 1.166 112 F HN 0.300 nan 8.300 nan 0.000 0.436 113 R N 4.495 124.240 120.500 -1.258 0.000 2.393 113 R HA 0.785 5.124 4.340 -0.001 0.000 0.315 113 R C -0.996 174.467 176.300 -1.395 0.000 0.952 113 R CA -0.402 55.029 56.100 -1.115 0.000 0.842 113 R CB 1.109 30.943 30.300 -0.776 0.000 1.163 113 R HN 0.993 nan 8.270 nan 0.000 0.450 114 G N 2.030 110.061 108.800 -1.281 0.000 2.559 114 G HA2 0.271 4.230 3.960 -0.001 0.000 0.291 114 G HA3 0.271 4.230 3.960 -0.001 0.000 0.291 114 G C -0.292 174.320 174.900 -0.481 0.000 1.424 114 G CA -0.653 43.884 45.100 -0.939 0.000 0.786 114 G HN 0.319 nan 8.290 nan 0.000 0.485 115 F N 0.285 120.239 119.950 0.007 0.000 2.113 115 F HA 0.188 4.714 4.527 -0.001 0.000 0.297 115 F C 1.713 177.575 175.800 0.102 0.000 1.103 115 F CA 0.885 58.910 58.000 0.041 0.000 1.248 115 F CB -0.057 38.966 39.000 0.039 0.000 0.999 115 F HN -0.032 nan 8.300 nan 0.000 0.475 116 K N 1.684 122.303 120.400 0.365 0.000 2.285 116 K HA 0.078 4.398 4.320 -0.001 0.000 0.286 116 K C 0.736 177.492 176.600 0.259 0.000 1.072 116 K CA -0.242 56.203 56.287 0.262 0.000 0.913 116 K CB 1.455 34.077 32.500 0.203 0.000 1.067 116 K HN 0.009 nan 8.250 nan 0.000 0.479 117 Q N 2.245 122.171 119.800 0.210 0.000 2.135 117 Q HA -0.200 4.139 4.340 -0.001 0.000 0.204 117 Q C 1.772 177.850 176.000 0.130 0.000 0.981 117 Q CA 2.401 58.333 55.803 0.216 0.000 0.856 117 Q CB -0.057 28.826 28.738 0.241 0.000 0.902 117 Q HN 0.742 nan 8.270 nan 0.000 0.425 118 S N -0.539 115.215 115.700 0.090 0.000 2.419 118 S HA -0.178 4.292 4.470 -0.001 0.000 0.235 118 S C 1.417 175.991 174.600 -0.044 0.000 1.019 118 S CA 1.307 59.525 58.200 0.029 0.000 0.982 118 S CB -0.352 62.865 63.200 0.030 0.000 0.789 118 S HN 0.384 nan 8.310 nan 0.000 0.490 119 D N 2.234 122.585 120.400 -0.081 0.000 2.123 119 D HA 0.110 4.749 4.640 -0.001 0.000 0.200 119 D C 2.356 178.346 176.300 -0.516 0.000 0.976 119 D CA 1.344 55.158 54.000 -0.311 0.000 0.831 119 D CB -0.693 39.873 40.800 -0.390 0.000 0.974 119 D HN 0.534 nan 8.370 nan 0.000 0.469 120 A N 1.213 123.800 122.820 -0.388 0.000 1.908 120 A HA -0.241 4.079 4.320 -0.001 0.000 0.218 120 A C 2.067 179.568 177.584 -0.140 0.000 1.181 120 A CA 1.711 53.613 52.037 -0.225 0.000 0.627 120 A CB -0.580 18.493 19.000 0.122 0.000 0.818 120 A HN 0.238 nan 8.150 nan 0.000 0.445 121 E N -0.325 119.829 120.200 -0.077 0.000 2.072 121 E HA -0.116 4.233 4.350 -0.001 0.000 0.191 121 E C 1.903 178.453 176.600 -0.084 0.000 0.985 121 E CA 1.194 57.562 56.400 -0.054 0.000 0.801 121 E CB -0.293 29.399 29.700 -0.014 0.000 0.750 121 E HN 0.713 nan 8.360 nan 0.000 0.452 122 I N 0.712 121.215 120.570 -0.111 0.000 2.226 122 I HA -0.249 3.921 4.170 -0.001 0.000 0.245 122 I C 2.171 178.209 176.117 -0.131 0.000 1.100 122 I CA 0.503 61.737 61.300 -0.110 0.000 1.374 122 I CB -0.202 37.730 38.000 -0.112 0.000 1.057 122 I HN 0.139 nan 8.210 nan 0.000 0.413 123 L N 1.136 122.244 121.223 -0.192 0.000 1.970 123 L HA -0.205 4.134 4.340 -0.001 0.000 0.212 123 L C 2.817 179.603 176.870 -0.141 0.000 1.071 123 L CA 2.334 57.058 54.840 -0.193 0.000 0.751 123 L CB -1.563 40.325 42.059 -0.286 0.000 0.889 123 L HN 0.230 nan 8.230 nan 0.000 0.432 124 A N -0.854 121.888 122.820 -0.130 0.000 1.908 124 A HA -0.279 4.041 4.320 -0.001 0.000 0.218 124 A C 2.551 180.088 177.584 -0.079 0.000 1.181 124 A CA 2.048 54.024 52.037 -0.102 0.000 0.627 124 A CB -0.605 18.348 19.000 -0.077 0.000 0.818 124 A HN 0.416 nan 8.150 nan 0.000 0.445 125 R N -0.980 119.477 120.500 -0.072 0.000 2.075 125 R HA -0.143 4.197 4.340 -0.001 0.000 0.232 125 R C 0.777 177.046 176.300 -0.051 0.000 1.126 125 R CA 1.856 57.922 56.100 -0.056 0.000 0.963 125 R CB -0.138 30.131 30.300 -0.050 0.000 0.858 125 R HN 0.437 nan 8.270 nan 0.000 0.435 126 D N -1.200 119.164 120.400 -0.059 0.000 2.392 126 D HA -0.007 4.632 4.640 -0.001 0.000 0.206 126 D C 1.732 178.007 176.300 -0.042 0.000 1.046 126 D CA 0.838 54.810 54.000 -0.047 0.000 0.865 126 D CB 0.546 41.318 40.800 -0.048 0.000 0.969 126 D HN 0.246 nan 8.370 nan 0.000 0.509 127 S N -0.442 115.226 115.700 -0.054 0.000 2.395 127 S HA 0.132 4.601 4.470 -0.001 0.000 0.225 127 S C 1.904 176.487 174.600 -0.029 0.000 1.027 127 S CA 1.105 59.279 58.200 -0.043 0.000 0.965 127 S CB 0.004 63.164 63.200 -0.067 0.000 0.812 127 S HN 0.234 nan 8.310 nan 0.000 0.482 128 G N 0.494 109.271 108.800 -0.038 0.000 2.141 128 G HA2 -0.193 3.767 3.960 -0.001 0.000 0.242 128 G HA3 -0.193 3.767 3.960 -0.001 0.000 0.242 128 G C 0.124 175.010 174.900 -0.024 0.000 0.982 128 G CA 0.422 45.507 45.100 -0.024 0.000 0.662 128 G HN 1.704 nan 8.290 nan 0.000 0.527 129 V N -3.815 116.067 119.914 -0.053 0.000 3.040 129 V HA 0.931 5.051 4.120 -0.001 0.000 0.312 129 V C -2.579 173.417 176.094 -0.162 0.000 1.115 129 V CA -2.940 59.317 62.300 -0.071 0.000 0.998 129 V CB 2.037 33.830 31.823 -0.049 0.000 1.042 129 V HN 0.003 nan 8.190 nan 0.000 0.433 130 P HA 0.300 nan 4.420 nan 0.000 0.265 130 P C -0.807 176.010 177.300 -0.805 0.000 1.193 130 P CA 0.187 63.042 63.100 -0.409 0.000 0.765 130 P CB 0.764 32.274 31.700 -0.316 0.000 0.823 131 V N 4.728 124.250 119.914 -0.655 0.000 2.540 131 V HA 0.411 4.531 4.120 -0.001 0.000 0.302 131 V C -0.645 175.202 176.094 -0.412 0.000 1.035 131 V CA -0.455 61.520 62.300 -0.541 0.000 0.873 131 V CB 1.556 33.233 31.823 -0.244 0.000 0.992 131 V HN 0.553 nan 8.190 nan 0.000 0.428 132 W N 2.899 124.270 121.300 0.118 0.000 2.532 132 W HA 0.390 5.050 4.660 -0.001 0.000 0.321 132 W C 0.023 176.625 176.519 0.139 0.000 1.037 132 W CA -1.219 56.235 57.345 0.181 0.000 1.220 132 W CB 1.417 31.070 29.460 0.321 0.000 1.361 132 W HN 0.541 nan 8.180 nan 0.000 0.468 133 N N 1.416 120.339 118.700 0.371 0.000 2.402 133 N HA 0.130 4.870 4.740 -0.001 0.000 0.259 133 N C 1.084 176.757 175.510 0.273 0.000 1.167 133 N CA 0.175 53.392 53.050 0.279 0.000 0.949 133 N CB 0.960 39.620 38.487 0.288 0.000 1.212 133 N HN 0.578 nan 8.380 nan 0.000 0.493 134 G N 2.319 111.174 108.800 0.092 0.000 2.920 134 G HA2 0.239 4.199 3.960 -0.001 0.000 0.208 134 G HA3 0.239 4.199 3.960 -0.001 0.000 0.208 134 G C -0.038 174.920 174.900 0.097 0.000 1.159 134 G CA 0.227 45.410 45.100 0.140 0.000 0.784 134 G HN 0.631 nan 8.290 nan 0.000 0.535 135 L N 0.084 121.288 121.223 -0.032 0.000 5.509 135 L HA 0.232 4.571 4.340 -0.001 0.000 0.238 135 L C -0.406 176.362 176.870 -0.171 0.000 1.157 135 L CA 0.256 54.962 54.840 -0.225 0.000 0.823 135 L CB -0.226 41.530 42.059 -0.505 0.000 1.529 135 L HN 0.255 nan 8.230 nan 0.000 0.295 136 T N -0.519 114.012 114.554 -0.038 0.000 2.883 136 T HA 0.558 4.907 4.350 -0.001 0.000 0.284 136 T C 0.465 175.167 174.700 0.004 0.000 1.041 136 T CA -0.101 62.006 62.100 0.012 0.000 1.007 136 T CB 1.413 70.381 68.868 0.166 0.000 1.220 136 T HN 0.508 nan 8.240 nan 0.000 0.552 137 D N 0.281 120.711 120.400 0.051 0.000 2.182 137 D HA -0.073 4.566 4.640 -0.001 0.000 0.201 137 D C 1.759 178.010 176.300 -0.081 0.000 0.986 137 D CA 1.410 55.425 54.000 0.025 0.000 0.847 137 D CB 0.120 40.962 40.800 0.070 0.000 0.942 137 D HN 0.729 nan 8.370 nan 0.000 0.467 138 E N -1.472 118.648 120.200 -0.133 0.000 2.140 138 E HA 0.021 4.370 4.350 -0.001 0.000 0.191 138 E C 0.073 176.253 176.600 -0.700 0.000 0.973 138 E CA 0.361 56.465 56.400 -0.494 0.000 0.829 138 E CB 0.353 29.714 29.700 -0.566 0.000 0.781 138 E HN 0.236 nan 8.360 nan 0.000 0.466 139 W N -0.802 120.552 121.300 0.089 0.000 3.127 139 W HA 0.335 4.995 4.660 -0.001 0.000 0.330 139 W C -0.339 176.280 176.519 0.166 0.000 1.187 139 W CA -0.801 56.620 57.345 0.125 0.000 1.198 139 W CB 1.141 30.684 29.460 0.139 0.000 1.408 139 W HN -0.065 nan 8.180 nan 0.000 0.529 140 H N 3.216 122.490 119.070 0.340 0.000 2.379 140 H HA 0.274 4.829 4.556 -0.001 0.000 0.229 140 H C -1.859 173.603 175.328 0.224 0.000 1.423 140 H CA -2.920 53.267 56.048 0.230 0.000 1.375 140 H CB 0.620 30.477 29.762 0.158 0.000 1.592 140 H HN 0.036 nan 8.280 nan 0.000 0.507 141 P HA -0.149 nan 4.420 nan 0.000 0.216 141 P C 1.529 178.895 177.300 0.110 0.000 1.153 141 P CA 1.608 64.835 63.100 0.212 0.000 0.848 141 P CB 0.142 31.964 31.700 0.203 0.000 0.787 142 T N -2.665 111.966 114.554 0.128 0.000 2.867 142 T HA -0.188 4.161 4.350 -0.001 0.000 0.268 142 T C 2.112 176.761 174.700 -0.086 0.000 1.057 142 T CA 1.297 63.409 62.100 0.020 0.000 1.136 142 T CB -0.920 67.994 68.868 0.076 0.000 0.874 142 T HN 0.007 nan 8.240 nan 0.000 0.466 143 Q N 0.406 120.053 119.800 -0.255 0.000 2.079 143 Q HA 0.025 4.365 4.340 -0.001 0.000 0.200 143 Q C 2.242 178.175 176.000 -0.111 0.000 0.974 143 Q CA 1.415 57.015 55.803 -0.339 0.000 0.840 143 Q CB -0.467 27.755 28.738 -0.861 0.000 0.898 143 Q HN 0.399 nan 8.270 nan 0.000 0.430 144 M N -0.418 119.173 119.600 -0.014 0.000 2.175 144 M HA -0.092 4.387 4.480 -0.001 0.000 0.264 144 M C 2.067 178.487 176.300 0.199 0.000 1.063 144 M CA 1.195 56.585 55.300 0.150 0.000 1.119 144 M CB -0.918 31.820 32.600 0.231 0.000 1.377 144 M HN 0.283 nan 8.290 nan 0.000 0.415 145 L N -0.270 121.002 121.223 0.082 0.000 2.017 145 L HA -0.174 4.165 4.340 -0.001 0.000 0.208 145 L C 2.741 179.630 176.870 0.031 0.000 1.073 145 L CA 1.273 56.142 54.840 0.047 0.000 0.745 145 L CB -0.956 41.078 42.059 -0.041 0.000 0.894 145 L HN 0.264 nan 8.230 nan 0.000 0.432 146 A N -0.183 122.625 122.820 -0.020 0.000 1.908 146 A HA -0.243 4.077 4.320 -0.001 0.000 0.218 146 A C 1.926 179.495 177.584 -0.025 0.000 1.181 146 A CA 2.113 54.129 52.037 -0.034 0.000 0.627 146 A CB -0.510 18.453 19.000 -0.063 0.000 0.818 146 A HN 0.376 nan 8.150 nan 0.000 0.445 147 D N -0.953 119.426 120.400 -0.035 0.000 2.103 147 D HA -0.065 4.575 4.640 -0.001 0.000 0.199 147 D C 1.599 177.781 176.300 -0.197 0.000 0.978 147 D CA 1.133 55.059 54.000 -0.124 0.000 0.829 147 D CB -0.429 40.273 40.800 -0.164 0.000 0.981 147 D HN 0.520 nan 8.370 nan 0.000 0.464 148 F N 0.558 120.531 119.950 0.039 0.000 2.367 148 F HA 0.051 4.578 4.527 -0.001 0.000 0.298 148 F C 2.454 178.272 175.800 0.029 0.000 1.094 148 F CA 0.247 58.270 58.000 0.039 0.000 1.409 148 F CB -0.259 38.754 39.000 0.022 0.000 1.064 148 F HN -0.124 nan 8.300 nan 0.000 0.528 149 M N -0.012 119.675 119.600 0.145 0.000 2.108 149 M HA -0.232 4.248 4.480 -0.001 0.000 0.261 149 M C 1.989 178.313 176.300 0.040 0.000 1.066 149 M CA 2.031 57.371 55.300 0.068 0.000 1.107 149 M CB -0.416 32.198 32.600 0.023 0.000 1.356 149 M HN 0.054 nan 8.290 nan 0.000 0.406 150 T N 0.370 114.932 114.554 0.014 0.000 2.746 150 T HA -0.118 4.232 4.350 -0.001 0.000 0.267 150 T C 1.766 176.478 174.700 0.020 0.000 1.039 150 T CA 1.686 63.778 62.100 -0.014 0.000 1.142 150 T CB -0.501 68.332 68.868 -0.057 0.000 0.866 150 T HN 0.283 nan 8.240 nan 0.000 0.444 151 V N 1.541 121.500 119.914 0.075 0.000 2.255 151 V HA -0.204 3.916 4.120 -0.001 0.000 0.247 151 V C 2.495 178.752 176.094 0.272 0.000 1.051 151 V CA 1.854 64.285 62.300 0.218 0.000 1.018 151 V CB -0.562 31.394 31.823 0.222 0.000 0.641 151 V HN 0.406 nan 8.190 nan 0.000 0.445 152 K N 0.072 120.588 120.400 0.194 0.000 2.103 152 K HA -0.258 4.061 4.320 -0.001 0.000 0.207 152 K C 2.208 178.852 176.600 0.073 0.000 1.048 152 K CA 1.916 58.292 56.287 0.149 0.000 0.930 152 K CB -0.198 32.369 32.500 0.112 0.000 0.716 152 K HN 0.567 nan 8.250 nan 0.000 0.444 153 E N -0.047 120.168 120.200 0.025 0.000 2.160 153 E HA -0.193 4.157 4.350 -0.001 0.000 0.195 153 E C 1.298 177.845 176.600 -0.088 0.000 0.991 153 E CA 1.117 57.496 56.400 -0.034 0.000 0.810 153 E CB 0.128 29.799 29.700 -0.050 0.000 0.742 153 E HN 0.382 nan 8.360 nan 0.000 0.466 154 N N -1.360 117.254 118.700 -0.144 0.000 2.409 154 N HA 0.006 4.745 4.740 -0.001 0.000 0.174 154 N C 0.812 176.007 175.510 -0.525 0.000 1.037 154 N CA 0.663 53.472 53.050 -0.401 0.000 0.898 154 N CB 0.310 38.431 38.487 -0.611 0.000 1.010 154 N HN 0.189 nan 8.380 nan 0.000 0.445 155 F N -0.413 119.545 119.950 0.014 0.000 2.747 155 F HA 0.293 4.819 4.527 -0.001 0.000 0.305 155 F C 1.725 177.535 175.800 0.017 0.000 1.065 155 F CA 0.267 58.278 58.000 0.019 0.000 1.230 155 F CB 0.663 39.680 39.000 0.028 0.000 1.027 155 F HN 0.009 nan 8.300 nan 0.000 0.607 156 G N 0.926 109.833 108.800 0.179 0.000 2.650 156 G HA2 -0.295 3.665 3.960 -0.001 0.000 0.264 156 G HA3 -0.295 3.665 3.960 -0.001 0.000 0.264 156 G C 0.010 174.982 174.900 0.119 0.000 1.263 156 G CA -0.305 44.864 45.100 0.116 0.000 0.960 156 G HN 0.120 nan 8.290 nan 0.000 0.548 157 K N 1.672 122.127 120.400 0.092 0.000 2.402 157 K HA 0.242 4.561 4.320 -0.001 0.000 0.279 157 K C 1.848 178.486 176.600 0.063 0.000 1.082 157 K CA 0.050 56.375 56.287 0.064 0.000 1.080 157 K CB -0.005 32.520 32.500 0.043 0.000 0.899 157 K HN 0.414 nan 8.250 nan 0.000 0.469 158 L N 3.038 124.299 121.223 0.063 0.000 2.017 158 L HA -0.194 4.145 4.340 -0.001 0.000 0.208 158 L C 0.712 177.592 176.870 0.017 0.000 1.073 158 L CA 1.116 55.993 54.840 0.061 0.000 0.745 158 L CB -0.263 41.836 42.059 0.068 0.000 0.894 158 L HN 0.625 nan 8.230 nan 0.000 0.432 159 Q N 0.083 119.885 119.800 0.004 0.000 2.315 159 Q HA 0.234 4.573 4.340 -0.001 0.000 0.289 159 Q C 1.070 177.062 176.000 -0.014 0.000 1.044 159 Q CA 1.215 57.014 55.803 -0.008 0.000 0.920 159 Q CB 0.163 28.898 28.738 -0.005 0.000 1.214 159 Q HN 0.392 nan 8.270 nan 0.000 0.392 160 G N 1.178 109.967 108.800 -0.019 0.000 2.199 160 G HA2 -0.267 3.692 3.960 -0.001 0.000 0.254 160 G HA3 -0.267 3.692 3.960 -0.001 0.000 0.254 160 G C 0.005 174.868 174.900 -0.061 0.000 0.982 160 G CA -0.051 45.032 45.100 -0.028 0.000 0.632 160 G HN 0.440 nan 8.290 nan 0.000 0.529 161 L N 0.897 122.071 121.223 -0.081 0.000 2.466 161 L HA 0.538 4.878 4.340 -0.001 0.000 0.257 161 L C 0.519 177.313 176.870 -0.128 0.000 1.189 161 L CA 0.116 54.863 54.840 -0.155 0.000 0.813 161 L CB 0.921 42.856 42.059 -0.207 0.000 1.118 161 L HN 0.128 nan 8.230 nan 0.000 0.471 162 T N 2.724 117.167 114.554 -0.184 0.000 2.815 162 T HA 0.464 4.813 4.350 -0.001 0.000 0.289 162 T C -0.585 174.008 174.700 -0.178 0.000 1.000 162 T CA -0.359 61.617 62.100 -0.207 0.000 0.958 162 T CB 1.340 70.031 68.868 -0.294 0.000 0.944 162 T HN 0.321 nan 8.240 nan 0.000 0.442 163 L N 3.425 124.583 121.223 -0.108 0.000 2.313 163 L HA 0.650 4.989 4.340 -0.001 0.000 0.283 163 L C -0.597 176.261 176.870 -0.019 0.000 1.013 163 L CA -0.260 54.561 54.840 -0.033 0.000 0.816 163 L CB 1.305 43.385 42.059 0.035 0.000 1.236 163 L HN 0.538 nan 8.230 nan 0.000 0.419 164 T N 5.322 119.890 114.554 0.024 0.000 2.772 164 T HA 0.324 4.673 4.350 -0.001 0.000 0.288 164 T C -0.748 174.049 174.700 0.161 0.000 0.994 164 T CA -0.081 62.079 62.100 0.101 0.000 0.951 164 T CB 0.503 69.427 68.868 0.095 0.000 0.933 164 T HN 0.373 nan 8.240 nan 0.000 0.447 165 F N 4.194 124.165 119.950 0.035 0.000 2.404 165 F HA 0.669 5.195 4.527 -0.001 0.000 0.345 165 F C -0.120 175.729 175.800 0.082 0.000 1.110 165 F CA -0.979 57.038 58.000 0.029 0.000 1.130 165 F CB 0.839 39.782 39.000 -0.094 0.000 1.129 165 F HN 0.421 nan 8.300 nan 0.000 0.500 166 M N 6.278 125.566 119.600 -0.520 0.000 2.243 166 M HA 0.606 5.085 4.480 -0.001 0.000 0.324 166 M C 0.034 176.137 176.300 -0.328 0.000 1.031 166 M CA 0.364 55.534 55.300 -0.216 0.000 0.949 166 M CB 1.269 33.871 32.600 0.004 0.000 1.615 166 M HN 0.900 nan 8.290 nan 0.000 0.430 167 G N 2.682 111.462 108.800 -0.033 0.000 2.436 167 G HA2 -0.172 3.787 3.960 -0.001 0.000 0.205 167 G HA3 -0.172 3.787 3.960 -0.001 0.000 0.205 167 G C -1.161 173.806 174.900 0.111 0.000 1.188 167 G CA -0.307 44.825 45.100 0.054 0.000 1.267 167 G HN 0.645 nan 8.290 nan 0.000 0.536 168 D N 2.401 122.972 120.400 0.285 0.000 2.416 168 D HA 0.453 5.093 4.640 -0.001 0.000 0.240 168 D C 1.565 178.028 176.300 0.272 0.000 1.250 168 D CA 0.867 54.998 54.000 0.219 0.000 0.967 168 D CB 0.185 41.108 40.800 0.204 0.000 1.059 168 D HN 0.840 nan 8.370 nan 0.000 0.512 169 G N 3.244 112.148 108.800 0.173 0.000 2.882 169 G HA2 -0.160 3.800 3.960 -0.001 0.000 0.206 169 G HA3 -0.160 3.800 3.960 -0.001 0.000 0.206 169 G C 1.329 176.211 174.900 -0.031 0.000 1.155 169 G CA -0.173 44.968 45.100 0.067 0.000 0.800 169 G HN 0.438 nan 8.290 nan 0.000 0.524 170 R N 0.176 120.672 120.500 -0.007 0.000 2.365 170 R HA 0.074 4.414 4.340 -0.001 0.000 0.223 170 R C 0.628 176.897 176.300 -0.052 0.000 0.899 170 R CA -0.371 55.713 56.100 -0.028 0.000 1.059 170 R CB 0.055 30.356 30.300 0.002 0.000 1.086 170 R HN 0.392 nan 8.270 nan 0.000 0.522 171 N N 1.306 119.972 118.700 -0.056 0.000 2.525 171 N HA -0.088 4.652 4.740 -0.001 0.000 0.271 171 N C 0.391 175.831 175.510 -0.117 0.000 1.194 171 N CA 0.172 53.196 53.050 -0.044 0.000 0.964 171 N CB 0.791 39.304 38.487 0.044 0.000 1.126 171 N HN 0.124 nan 8.380 nan 0.000 0.452 172 N N 2.767 121.428 118.700 -0.066 0.000 2.381 172 N HA -0.128 4.612 4.740 -0.001 0.000 0.182 172 N C 1.265 176.733 175.510 -0.071 0.000 1.025 172 N CA 0.902 53.904 53.050 -0.080 0.000 0.888 172 N CB -0.597 37.850 38.487 -0.066 0.000 0.965 172 N HN 0.340 nan 8.380 nan 0.000 0.438 173 V N 1.644 121.514 119.914 -0.073 0.000 2.237 173 V HA -0.200 3.919 4.120 -0.001 0.000 0.245 173 V C 2.905 178.756 176.094 -0.405 0.000 1.046 173 V CA 2.045 64.267 62.300 -0.130 0.000 1.007 173 V CB -1.342 30.466 31.823 -0.025 0.000 0.638 173 V HN 0.505 nan 8.190 nan 0.000 0.445 174 A N 0.647 123.006 122.820 -0.768 0.000 1.917 174 A HA -0.291 4.029 4.320 -0.001 0.000 0.219 174 A C 2.048 179.386 177.584 -0.411 0.000 1.182 174 A CA 2.364 53.830 52.037 -0.953 0.000 0.633 174 A CB -0.805 17.464 19.000 -1.220 0.000 0.819 174 A HN 0.632 nan 8.150 nan 0.000 0.448 175 N N 0.078 118.617 118.700 -0.268 0.000 2.120 175 N HA -0.092 4.648 4.740 -0.001 0.000 0.188 175 N C 1.957 177.441 175.510 -0.043 0.000 1.024 175 N CA 1.582 54.546 53.050 -0.142 0.000 0.852 175 N CB -0.623 37.771 38.487 -0.154 0.000 1.003 175 N HN 0.428 nan 8.380 nan 0.000 0.424 176 S N 0.840 116.532 115.700 -0.013 0.000 2.382 176 S HA 0.072 4.541 4.470 -0.001 0.000 0.228 176 S C 2.066 176.738 174.600 0.120 0.000 1.027 176 S CA 0.499 58.781 58.200 0.138 0.000 0.991 176 S CB -0.133 63.176 63.200 0.182 0.000 0.823 176 S HN 0.223 nan 8.310 nan 0.000 0.469 177 L N 0.518 121.738 121.223 -0.005 0.000 2.093 177 L HA -0.091 4.248 4.340 -0.001 0.000 0.208 177 L C 2.301 179.232 176.870 0.102 0.000 1.085 177 L CA 0.666 55.532 54.840 0.044 0.000 0.755 177 L CB -0.391 41.546 42.059 -0.204 0.000 0.904 177 L HN 0.290 nan 8.230 nan 0.000 0.435 178 L N -0.659 120.579 121.223 0.026 0.000 1.994 178 L HA -0.167 4.172 4.340 -0.001 0.000 0.208 178 L C 2.390 179.321 176.870 0.102 0.000 1.071 178 L CA 1.675 56.545 54.840 0.049 0.000 0.745 178 L CB -0.378 41.685 42.059 0.005 0.000 0.892 178 L HN -0.083 nan 8.230 nan 0.000 0.431 179 V N -0.782 119.218 119.914 0.144 0.000 2.261 179 V HA -0.316 3.803 4.120 -0.001 0.000 0.246 179 V C 2.445 178.583 176.094 0.073 0.000 1.047 179 V CA 2.342 64.766 62.300 0.207 0.000 1.015 179 V CB -1.161 30.869 31.823 0.345 0.000 0.642 179 V HN 0.552 nan 8.190 nan 0.000 0.446 180 T N 0.318 114.903 114.554 0.052 0.000 2.777 180 T HA -0.097 4.253 4.350 -0.001 0.000 0.266 180 T C 1.930 176.457 174.700 -0.288 0.000 1.040 180 T CA 1.487 63.522 62.100 -0.108 0.000 1.141 180 T CB -0.721 68.156 68.868 0.015 0.000 0.868 180 T HN 0.615 nan 8.240 nan 0.000 0.444 181 G N 1.178 109.915 108.800 -0.106 0.000 2.442 181 G HA2 -0.062 3.897 3.960 -0.001 0.000 0.219 181 G HA3 -0.062 3.897 3.960 -0.001 0.000 0.219 181 G C 1.820 176.674 174.900 -0.077 0.000 1.141 181 G CA 0.933 45.973 45.100 -0.100 0.000 0.763 181 G HN 0.582 nan 8.290 nan 0.000 0.554 182 A N 0.905 123.724 122.820 -0.002 0.000 1.877 182 A HA 0.002 4.321 4.320 -0.001 0.000 0.216 182 A C 2.396 179.988 177.584 0.013 0.000 1.186 182 A CA 1.441 53.510 52.037 0.053 0.000 0.620 182 A CB -0.410 18.689 19.000 0.165 0.000 0.822 182 A HN 0.366 nan 8.150 nan 0.000 0.443 183 I N -0.394 120.113 120.570 -0.106 0.000 2.226 183 I HA -0.243 3.927 4.170 -0.001 0.000 0.245 183 I C 2.083 178.107 176.117 -0.155 0.000 1.100 183 I CA 1.124 62.300 61.300 -0.206 0.000 1.374 183 I CB -0.222 37.526 38.000 -0.419 0.000 1.057 183 I HN 0.253 nan 8.210 nan 0.000 0.413 184 L N 0.228 121.323 121.223 -0.214 0.000 2.478 184 L HA 0.114 4.454 4.340 -0.001 0.000 0.223 184 L C 1.540 178.339 176.870 -0.118 0.000 1.140 184 L CA 0.605 55.318 54.840 -0.211 0.000 0.842 184 L CB -0.524 41.294 42.059 -0.403 0.000 0.953 184 L HN 0.524 nan 8.230 nan 0.000 0.452 185 G N 0.446 109.201 108.800 -0.075 0.000 2.147 185 G HA2 -0.237 3.722 3.960 -0.001 0.000 0.244 185 G HA3 -0.237 3.722 3.960 -0.001 0.000 0.244 185 G C 0.086 174.971 174.900 -0.025 0.000 1.005 185 G CA 0.092 45.174 45.100 -0.031 0.000 0.713 185 G HN 0.119 nan 8.290 nan 0.000 0.515 186 V N 1.198 121.093 119.914 -0.032 0.000 2.465 186 V HA 0.333 4.453 4.120 -0.001 0.000 0.279 186 V C 0.486 176.596 176.094 0.027 0.000 1.045 186 V CA -1.254 61.054 62.300 0.014 0.000 0.938 186 V CB 1.406 33.287 31.823 0.098 0.000 0.986 186 V HN 0.365 nan 8.190 nan 0.000 0.467 187 N N 4.888 123.595 118.700 0.011 0.000 2.475 187 N HA 0.247 4.987 4.740 -0.001 0.000 0.267 187 N C -0.674 174.848 175.510 0.021 0.000 1.169 187 N CA -0.156 52.907 53.050 0.022 0.000 0.947 187 N CB 0.999 39.483 38.487 -0.005 0.000 1.061 187 N HN 0.387 nan 8.380 nan 0.000 0.466 188 I N 2.561 123.186 120.570 0.092 0.000 2.378 188 I HA 0.214 4.383 4.170 -0.001 0.000 0.291 188 I C 0.337 176.599 176.117 0.242 0.000 0.992 188 I CA -0.501 60.867 61.300 0.113 0.000 1.154 188 I CB 0.687 38.748 38.000 0.101 0.000 1.315 188 I HN 0.310 nan 8.210 nan 0.000 0.448 189 H N 6.351 125.440 119.070 0.033 0.000 2.476 189 H HA 0.551 5.107 4.556 -0.001 0.000 0.328 189 H C -0.542 174.810 175.328 0.041 0.000 1.073 189 H CA -0.726 55.335 56.048 0.021 0.000 1.229 189 H CB 2.454 32.235 29.762 0.032 0.000 1.432 189 H HN 0.404 nan 8.280 nan 0.000 0.477 190 I N 4.396 125.024 120.570 0.096 0.000 2.328 190 I HA 0.139 4.308 4.170 -0.001 0.000 0.287 190 I C -0.470 175.665 176.117 0.029 0.000 1.012 190 I CA -0.726 60.619 61.300 0.076 0.000 1.195 190 I CB 1.448 39.431 38.000 -0.028 0.000 1.350 190 I HN 0.270 nan 8.210 nan 0.000 0.464 191 V N 6.246 126.230 119.914 0.117 0.000 2.313 191 V HA 0.781 4.901 4.120 -0.001 0.000 0.278 191 V C 0.179 176.268 176.094 -0.007 0.000 1.017 191 V CA -0.309 62.064 62.300 0.122 0.000 0.823 191 V CB 0.896 32.847 31.823 0.213 0.000 1.010 191 V HN 0.823 nan 8.190 nan 0.000 0.443 192 A N 7.183 129.935 122.820 -0.112 0.000 2.572 192 A HA 0.962 5.282 4.320 -0.001 0.000 0.295 192 A C -3.103 174.236 177.584 -0.408 0.000 1.072 192 A CA -1.700 50.121 52.037 -0.361 0.000 0.691 192 A CB 2.168 21.198 19.000 0.050 0.000 1.291 192 A HN 0.497 nan 8.150 nan 0.000 0.404 193 P HA 0.071 nan 4.420 nan 0.000 0.267 193 P C 0.284 177.360 177.300 -0.373 0.000 1.200 193 P CA 0.105 63.013 63.100 -0.320 0.000 0.772 193 P CB 0.624 32.184 31.700 -0.233 0.000 0.855 194 K N 2.144 122.193 120.400 -0.584 0.000 2.113 194 K HA -0.188 4.131 4.320 -0.001 0.000 0.208 194 K C 1.969 178.166 176.600 -0.671 0.000 1.047 194 K CA 1.968 57.555 56.287 -1.167 0.000 0.928 194 K CB -0.688 31.337 32.500 -0.792 0.000 0.716 194 K HN 0.486 nan 8.250 nan 0.000 0.446 195 A N 1.061 123.673 122.820 -0.347 0.000 2.070 195 A HA -0.088 4.232 4.320 -0.001 0.000 0.220 195 A C 1.673 179.181 177.584 -0.126 0.000 1.159 195 A CA 1.130 53.048 52.037 -0.197 0.000 0.656 195 A CB -0.243 18.673 19.000 -0.141 0.000 0.800 195 A HN 0.217 nan 8.150 nan 0.000 0.453 196 L N -1.215 119.942 121.223 -0.110 0.000 3.066 196 L HA 0.330 4.669 4.340 -0.001 0.000 0.265 196 L C -0.288 176.671 176.870 0.148 0.000 1.232 196 L CA -0.593 54.244 54.840 -0.005 0.000 1.031 196 L CB -0.059 41.977 42.059 -0.039 0.000 1.379 196 L HN 0.253 nan 8.230 nan 0.000 0.563 197 F N 2.825 122.733 119.950 -0.071 0.000 2.553 197 F HA 0.088 4.614 4.527 -0.001 0.000 0.356 197 F C -1.220 174.550 175.800 -0.050 0.000 1.142 197 F CA -1.954 56.013 58.000 -0.055 0.000 1.322 197 F CB 0.471 39.444 39.000 -0.045 0.000 1.126 197 F HN -0.041 nan 8.300 nan 0.000 0.599 198 P HA -0.028 nan 4.420 nan 0.000 0.268 198 P C -0.362 176.958 177.300 0.034 0.000 1.208 198 P CA -0.208 62.896 63.100 0.007 0.000 0.777 198 P CB 0.325 31.993 31.700 -0.052 0.000 0.875 199 T N -1.776 112.782 114.554 0.007 0.000 2.748 199 T HA 0.054 4.404 4.350 -0.001 0.000 0.304 199 T C 1.221 175.926 174.700 0.007 0.000 1.041 199 T CA -0.146 61.960 62.100 0.010 0.000 1.033 199 T CB 0.331 69.192 68.868 -0.011 0.000 0.995 199 T HN 0.383 nan 8.240 nan 0.000 0.536 200 E N 0.042 120.249 120.200 0.011 0.000 2.110 200 E HA -0.163 4.186 4.350 -0.001 0.000 0.193 200 E C 2.128 178.727 176.600 -0.002 0.000 0.988 200 E CA 1.316 57.721 56.400 0.007 0.000 0.804 200 E CB -0.068 29.637 29.700 0.009 0.000 0.745 200 E HN 0.924 nan 8.360 nan 0.000 0.458 201 E N 0.210 120.407 120.200 -0.005 0.000 2.058 201 E HA -0.203 4.147 4.350 -0.001 0.000 0.194 201 E C 1.824 178.424 176.600 -0.001 0.000 0.997 201 E CA 1.898 58.295 56.400 -0.004 0.000 0.801 201 E CB 0.057 29.751 29.700 -0.009 0.000 0.746 201 E HN 0.094 nan 8.360 nan 0.000 0.450 202 T N 0.664 115.211 114.554 -0.013 0.000 2.737 202 T HA -0.158 4.191 4.350 -0.001 0.000 0.265 202 T C 1.855 176.562 174.700 0.011 0.000 1.038 202 T CA 1.394 63.490 62.100 -0.008 0.000 1.144 202 T CB -0.221 68.622 68.868 -0.041 0.000 0.866 202 T HN 0.267 nan 8.240 nan 0.000 0.434 203 Q N 0.704 120.502 119.800 -0.005 0.000 2.096 203 Q HA -0.108 4.232 4.340 -0.001 0.000 0.204 203 Q C 2.309 178.306 176.000 -0.004 0.000 0.982 203 Q CA 1.053 56.851 55.803 -0.009 0.000 0.850 203 Q CB -0.164 28.562 28.738 -0.020 0.000 0.901 203 Q HN 0.438 nan 8.270 nan 0.000 0.422 204 N N 0.509 119.204 118.700 -0.008 0.000 2.216 204 N HA -0.070 4.670 4.740 -0.001 0.000 0.183 204 N C 1.808 177.288 175.510 -0.049 0.000 1.017 204 N CA 0.859 53.894 53.050 -0.026 0.000 0.861 204 N CB -0.086 38.385 38.487 -0.026 0.000 0.986 204 N HN 0.261 nan 8.380 nan 0.000 0.428 205 I N 1.116 121.677 120.570 -0.014 0.000 2.179 205 I HA -0.233 3.936 4.170 -0.001 0.000 0.242 205 I C 2.297 178.408 176.117 -0.009 0.000 1.088 205 I CA 1.114 62.402 61.300 -0.020 0.000 1.357 205 I CB -0.284 37.812 38.000 0.160 0.000 1.051 205 I HN 0.052 nan 8.210 nan 0.000 0.409 206 A N 0.566 123.453 122.820 0.111 0.000 1.969 206 A HA -0.185 4.135 4.320 -0.001 0.000 0.218 206 A C 2.287 179.926 177.584 0.092 0.000 1.169 206 A CA 1.416 53.560 52.037 0.178 0.000 0.635 206 A CB -0.372 18.706 19.000 0.130 0.000 0.810 206 A HN 0.309 nan 8.150 nan 0.000 0.445 207 K N -0.594 119.814 120.400 0.012 0.000 2.057 207 K HA -0.074 4.246 4.320 -0.001 0.000 0.207 207 K C 2.150 178.720 176.600 -0.050 0.000 1.049 207 K CA 1.014 57.294 56.287 -0.011 0.000 0.931 207 K CB -0.470 32.016 32.500 -0.023 0.000 0.714 207 K HN 0.452 nan 8.250 nan 0.000 0.440 208 G N 1.001 109.712 108.800 -0.147 0.000 2.476 208 G HA2 -0.253 3.707 3.960 -0.001 0.000 0.218 208 G HA3 -0.253 3.707 3.960 -0.001 0.000 0.218 208 G C 1.212 175.993 174.900 -0.197 0.000 1.164 208 G CA 0.955 45.906 45.100 -0.248 0.000 0.768 208 G HN 0.137 nan 8.290 nan 0.000 0.560 209 F N 1.558 121.512 119.950 0.008 0.000 2.206 209 F HA 0.205 4.731 4.527 -0.001 0.000 0.298 209 F C 2.985 178.783 175.800 -0.004 0.000 1.090 209 F CA 0.445 58.445 58.000 0.001 0.000 1.323 209 F CB -0.688 38.314 39.000 0.004 0.000 1.028 209 F HN 0.242 nan 8.300 nan 0.000 0.492 210 A N 0.191 123.110 122.820 0.165 0.000 2.015 210 A HA -0.154 4.166 4.320 -0.001 0.000 0.219 210 A C 2.114 179.731 177.584 0.056 0.000 1.163 210 A CA 1.427 53.520 52.037 0.093 0.000 0.646 210 A CB -0.640 18.402 19.000 0.071 0.000 0.806 210 A HN 0.458 nan 8.150 nan 0.000 0.448 211 E N 0.570 120.793 120.200 0.038 0.000 2.077 211 E HA -0.231 4.119 4.350 -0.001 0.000 0.193 211 E C 1.757 178.373 176.600 0.026 0.000 0.989 211 E CA 1.537 57.948 56.400 0.019 0.000 0.800 211 E CB -0.301 29.398 29.700 -0.001 0.000 0.746 211 E HN 0.696 nan 8.360 nan 0.000 0.452 212 K N 0.952 121.377 120.400 0.042 0.000 2.228 212 K HA -0.012 4.307 4.320 -0.001 0.000 0.202 212 K C 2.342 178.967 176.600 0.041 0.000 1.051 212 K CA 1.244 57.557 56.287 0.043 0.000 0.960 212 K CB 0.070 32.607 32.500 0.062 0.000 0.743 212 K HN 0.064 nan 8.250 nan 0.000 0.458 213 S N -0.537 115.192 115.700 0.049 0.000 2.486 213 S HA 0.155 4.624 4.470 -0.001 0.000 0.220 213 S C 1.560 176.173 174.600 0.022 0.000 1.011 213 S CA 0.329 58.548 58.200 0.032 0.000 0.921 213 S CB 0.334 63.553 63.200 0.031 0.000 0.785 213 S HN 0.393 nan 8.310 nan 0.000 0.517 214 G N 1.073 109.889 108.800 0.026 0.000 2.141 214 G HA2 -0.088 3.872 3.960 -0.001 0.000 0.242 214 G HA3 -0.088 3.872 3.960 -0.001 0.000 0.242 214 G C 0.238 175.152 174.900 0.023 0.000 0.982 214 G CA -0.038 45.074 45.100 0.021 0.000 0.662 214 G HN 1.316 nan 8.290 nan 0.000 0.527 215 A N 0.193 123.030 122.820 0.029 0.000 2.488 215 A HA 0.568 4.887 4.320 -0.001 0.000 0.249 215 A C 0.629 178.238 177.584 0.041 0.000 1.083 215 A CA 0.381 52.437 52.037 0.033 0.000 0.768 215 A CB 0.286 19.308 19.000 0.037 0.000 1.017 215 A HN 0.416 nan 8.150 nan 0.000 0.496 216 K N 2.956 123.386 120.400 0.050 0.000 2.267 216 K HA 0.399 4.719 4.320 -0.001 0.000 0.282 216 K C -1.056 175.599 176.600 0.091 0.000 1.078 216 K CA 0.084 56.409 56.287 0.064 0.000 0.903 216 K CB 0.816 33.360 32.500 0.075 0.000 1.111 216 K HN 0.606 nan 8.250 nan 0.000 0.475 217 L N 3.524 124.783 121.223 0.060 0.000 2.276 217 L HA 0.421 4.761 4.340 -0.001 0.000 0.286 217 L C -0.344 176.527 176.870 0.003 0.000 1.061 217 L CA -1.054 53.817 54.840 0.052 0.000 0.807 217 L CB 1.185 43.259 42.059 0.026 0.000 1.177 217 L HN 0.237 nan 8.230 nan 0.000 0.429 218 V N 5.042 124.945 119.914 -0.018 0.000 2.483 218 V HA 0.441 4.561 4.120 -0.001 0.000 0.297 218 V C -0.326 175.659 176.094 -0.181 0.000 1.027 218 V CA -0.317 61.886 62.300 -0.161 0.000 0.855 218 V CB 2.169 33.735 31.823 -0.428 0.000 0.995 218 V HN 0.491 nan 8.190 nan 0.000 0.424 219 I N 4.224 124.646 120.570 -0.247 0.000 2.382 219 I HA 0.663 4.833 4.170 -0.001 0.000 0.286 219 I C 0.012 175.843 176.117 -0.477 0.000 1.002 219 I CA 0.207 61.239 61.300 -0.448 0.000 1.135 219 I CB 2.022 39.653 38.000 -0.614 0.000 1.288 219 I HN 0.680 nan 8.210 nan 0.000 0.448 220 T N 2.789 117.149 114.554 -0.324 0.000 2.889 220 T HA 0.248 4.597 4.350 -0.001 0.000 0.315 220 T C -0.127 174.739 174.700 0.277 0.000 1.291 220 T CA -0.615 61.505 62.100 0.033 0.000 1.028 220 T CB 1.240 70.118 68.868 0.015 0.000 1.235 220 T HN 0.688 nan 8.240 nan 0.000 0.491 221 D N 1.532 122.188 120.400 0.427 0.000 2.339 221 D HA 0.064 4.703 4.640 -0.001 0.000 0.217 221 D C 0.175 176.678 176.300 0.339 0.000 1.050 221 D CA -0.115 54.113 54.000 0.380 0.000 0.856 221 D CB 0.175 41.120 40.800 0.242 0.000 0.922 221 D HN 0.456 nan 8.370 nan 0.000 0.518 222 D N 1.216 121.745 120.400 0.215 0.000 2.339 222 D HA 0.065 4.705 4.640 -0.001 0.000 0.241 222 D C 1.583 177.960 176.300 0.129 0.000 1.183 222 D CA -0.303 53.777 54.000 0.133 0.000 0.859 222 D CB 1.153 42.000 40.800 0.078 0.000 1.067 222 D HN 0.024 nan 8.370 nan 0.000 0.484 223 L N 3.172 124.453 121.223 0.096 0.000 2.013 223 L HA -0.232 4.108 4.340 -0.001 0.000 0.212 223 L C 1.541 178.446 176.870 0.059 0.000 1.073 223 L CA 1.512 56.395 54.840 0.071 0.000 0.753 223 L CB -0.134 41.908 42.059 -0.028 0.000 0.890 223 L HN 0.404 nan 8.230 nan 0.000 0.432 224 D N -0.926 119.495 120.400 0.035 0.000 2.149 224 D HA -0.202 4.438 4.640 -0.001 0.000 0.201 224 D C 2.127 178.451 176.300 0.041 0.000 0.972 224 D CA 0.937 54.956 54.000 0.032 0.000 0.835 224 D CB 0.104 40.915 40.800 0.017 0.000 0.966 224 D HN 0.325 nan 8.370 nan 0.000 0.476 225 E N 0.231 120.452 120.200 0.035 0.000 2.107 225 E HA -0.090 4.260 4.350 -0.001 0.000 0.191 225 E C 2.140 178.744 176.600 0.007 0.000 0.982 225 E CA 1.036 57.446 56.400 0.016 0.000 0.809 225 E CB -0.086 29.615 29.700 0.001 0.000 0.756 225 E HN 0.288 nan 8.360 nan 0.000 0.459 226 G N 1.110 109.932 108.800 0.037 0.000 2.394 226 G HA2 -0.174 3.785 3.960 -0.001 0.000 0.215 226 G HA3 -0.174 3.785 3.960 -0.001 0.000 0.215 226 G C 1.549 176.598 174.900 0.249 0.000 1.165 226 G CA 0.294 45.436 45.100 0.070 0.000 0.784 226 G HN 0.196 nan 8.290 nan 0.000 0.535 227 L N 0.209 121.530 121.223 0.164 0.000 2.313 227 L HA 0.140 4.480 4.340 -0.001 0.000 0.214 227 L C 1.448 178.393 176.870 0.125 0.000 1.119 227 L CA 0.056 54.980 54.840 0.140 0.000 0.809 227 L CB -0.072 42.037 42.059 0.083 0.000 0.933 227 L HN 0.120 nan 8.230 nan 0.000 0.449 228 K N 0.942 121.421 120.400 0.131 0.000 2.419 228 K HA 0.174 4.494 4.320 -0.001 0.000 0.282 228 K C 0.916 177.581 176.600 0.108 0.000 1.056 228 K CA 0.970 57.317 56.287 0.099 0.000 1.035 228 K CB 0.167 32.716 32.500 0.081 0.000 0.921 228 K HN 0.187 nan 8.250 nan 0.000 0.472 229 G N 2.383 111.212 108.800 0.049 0.000 2.157 229 G HA2 -0.265 3.694 3.960 -0.001 0.000 0.248 229 G HA3 -0.265 3.694 3.960 -0.001 0.000 0.248 229 G C -0.163 174.707 174.900 -0.051 0.000 0.979 229 G CA 0.156 45.263 45.100 0.011 0.000 0.650 229 G HN 0.665 nan 8.290 nan 0.000 0.529 230 S N 0.712 116.382 115.700 -0.050 0.000 2.537 230 S HA 0.254 4.724 4.470 -0.001 0.000 0.286 230 S C 1.341 175.900 174.600 -0.068 0.000 1.299 230 S CA -0.123 58.023 58.200 -0.090 0.000 1.067 230 S CB 0.817 63.996 63.200 -0.034 0.000 0.864 230 S HN 0.423 nan 8.310 nan 0.000 0.494 231 N N 1.377 120.003 118.700 -0.124 0.000 2.409 231 N HA 0.055 4.794 4.740 -0.001 0.000 0.174 231 N C -0.229 175.304 175.510 0.038 0.000 1.037 231 N CA 0.543 53.510 53.050 -0.140 0.000 0.898 231 N CB 0.340 38.497 38.487 -0.550 0.000 1.010 231 N HN 0.301 nan 8.380 nan 0.000 0.445 232 V N 1.801 121.722 119.914 0.013 0.000 2.531 232 V HA 0.334 4.454 4.120 -0.001 0.000 0.301 232 V C -0.255 175.877 176.094 0.063 0.000 1.034 232 V CA -0.793 61.556 62.300 0.081 0.000 0.865 232 V CB 2.449 34.322 31.823 0.082 0.000 0.995 232 V HN -0.264 nan 8.190 nan 0.000 0.424 233 V N 5.383 125.346 119.914 0.083 0.000 2.350 233 V HA 0.402 4.521 4.120 -0.001 0.000 0.276 233 V C -0.761 175.360 176.094 0.045 0.000 1.028 233 V CA -0.545 61.819 62.300 0.108 0.000 0.860 233 V CB 0.996 32.910 31.823 0.152 0.000 0.990 233 V HN 0.814 nan 8.190 nan 0.000 0.453 234 Y N 3.614 123.834 120.300 -0.132 0.000 2.364 234 Y HA 0.649 5.198 4.550 -0.001 0.000 0.340 234 Y C 0.265 175.921 175.900 -0.407 0.000 0.975 234 Y CA -0.172 57.766 58.100 -0.269 0.000 1.089 234 Y CB 2.125 40.533 38.460 -0.085 0.000 1.192 234 Y HN 0.673 nan 8.280 nan 0.000 0.454 235 T N 3.244 117.674 114.554 -0.206 0.000 2.742 235 T HA 0.481 4.831 4.350 -0.001 0.000 0.282 235 T C -1.944 172.497 174.700 -0.432 0.000 1.025 235 T CA -0.351 61.500 62.100 -0.416 0.000 1.020 235 T CB 1.715 70.478 68.868 -0.174 0.000 1.317 235 T HN 0.763 nan 8.240 nan 0.000 0.538 236 D N -0.591 119.606 120.400 -0.339 0.000 2.692 236 D HA 0.347 4.987 4.640 -0.001 0.000 0.290 236 D C -0.699 175.628 176.300 0.046 0.000 1.281 236 D CA -0.163 53.712 54.000 -0.208 0.000 0.804 236 D CB 1.401 42.365 40.800 0.274 0.000 1.331 236 D HN 0.579 nan 8.370 nan 0.000 0.432 237 V N 0.583 120.598 119.914 0.168 0.000 2.788 237 V HA 0.104 4.224 4.120 -0.001 0.000 0.307 237 V C 1.156 177.385 176.094 0.225 0.000 1.069 237 V CA 0.011 62.399 62.300 0.147 0.000 1.173 237 V CB 0.498 32.431 31.823 0.183 0.000 0.925 237 V HN 0.574 nan 8.190 nan 0.000 0.492 238 W N 3.330 124.660 121.300 0.050 0.000 2.418 238 W HA 0.257 4.917 4.660 -0.000 0.000 0.292 238 W C 0.732 177.204 176.519 -0.079 0.000 1.213 238 W CA 1.100 58.421 57.345 -0.039 0.000 1.283 238 W CB -0.802 28.578 29.460 -0.133 0.000 1.119 238 W HN 0.792 nan 8.180 nan 0.000 0.542 239 V N -1.791 118.216 119.914 0.154 0.000 2.841 239 V HA 0.712 4.832 4.120 -0.001 0.000 0.310 239 V C 0.035 176.230 176.094 0.168 0.000 1.090 239 V CA -1.261 61.077 62.300 0.062 0.000 0.930 239 V CB 1.204 32.871 31.823 -0.260 0.000 1.014 239 V HN -0.046 nan 8.190 nan 0.000 0.425 240 S N 4.296 120.094 115.700 0.164 0.000 2.719 240 S HA 0.668 5.138 4.470 -0.001 0.000 0.285 240 S C 0.474 175.176 174.600 0.170 0.000 1.137 240 S CA -0.730 57.551 58.200 0.135 0.000 1.012 240 S CB 1.170 64.435 63.200 0.108 0.000 1.134 240 S HN 1.679 nan 8.310 nan 0.000 0.544 241 M N 0.832 120.473 119.600 0.067 0.000 2.504 241 M HA 0.210 4.689 4.480 -0.001 0.000 0.378 241 M C 0.836 177.228 176.300 0.153 0.000 1.706 241 M CA 1.115 56.455 55.300 0.067 0.000 1.036 241 M CB -2.050 30.562 32.600 0.020 0.000 2.129 241 M HN 1.542 nan 8.290 nan 0.000 0.474 242 G N 3.517 112.446 108.800 0.216 0.000 2.412 242 G HA2 -0.291 3.669 3.960 -0.001 0.000 0.297 242 G HA3 -0.291 3.669 3.960 -0.001 0.000 0.297 242 G C -0.092 174.935 174.900 0.211 0.000 0.965 242 G CA 0.838 46.056 45.100 0.197 0.000 1.134 242 G HN 1.051 nan 8.290 nan 0.000 0.511 243 E N 0.166 120.552 120.200 0.310 0.000 2.331 243 E HA 0.482 4.832 4.350 -0.001 0.000 0.272 243 E C 0.828 177.588 176.600 0.267 0.000 1.036 243 E CA -0.462 56.090 56.400 0.252 0.000 0.864 243 E CB 0.516 30.356 29.700 0.234 0.000 1.035 243 E HN 0.298 nan 8.360 nan 0.000 0.408 244 S N 2.616 118.420 115.700 0.174 0.000 2.589 244 S HA 0.023 4.492 4.470 -0.001 0.000 0.265 244 S C 0.122 174.818 174.600 0.161 0.000 1.342 244 S CA 0.104 58.396 58.200 0.153 0.000 1.005 244 S CB 0.182 63.440 63.200 0.096 0.000 0.909 244 S HN 0.819 nan 8.310 nan 0.000 0.555 245 N N -1.239 117.550 118.700 0.148 0.000 2.714 245 N HA -0.228 4.512 4.740 -0.001 0.000 0.250 245 N C 0.098 175.701 175.510 0.154 0.000 1.117 245 N CA 0.823 53.945 53.050 0.120 0.000 0.719 245 N CB -1.376 37.146 38.487 0.059 0.000 1.081 245 N HN 0.766 nan 8.380 nan 0.000 0.557 246 W N 1.032 122.360 121.300 0.048 0.000 2.315 246 W HA -0.190 4.470 4.660 -0.001 0.000 0.323 246 W C 2.064 178.583 176.519 -0.001 0.000 1.233 246 W CA 1.917 59.292 57.345 0.050 0.000 1.267 246 W CB -0.066 29.440 29.460 0.078 0.000 1.160 246 W HN 0.250 nan 8.180 nan 0.000 0.474 247 E N -0.430 120.024 120.200 0.423 0.000 2.106 247 E HA -0.270 4.079 4.350 -0.001 0.000 0.192 247 E C 1.998 178.621 176.600 0.040 0.000 0.984 247 E CA 1.342 57.889 56.400 0.246 0.000 0.806 247 E CB -0.458 29.399 29.700 0.262 0.000 0.750 247 E HN 0.495 nan 8.360 nan 0.000 0.458 248 E N 1.582 121.803 120.200 0.036 0.000 2.038 248 E HA -0.239 4.111 4.350 -0.001 0.000 0.195 248 E C 2.118 178.658 176.600 -0.099 0.000 1.000 248 E CA 1.094 57.480 56.400 -0.023 0.000 0.803 248 E CB 0.073 29.771 29.700 -0.003 0.000 0.750 248 E HN 0.133 nan 8.360 nan 0.000 0.448 249 R N 0.058 120.482 120.500 -0.127 0.000 2.080 249 R HA -0.142 4.197 4.340 -0.001 0.000 0.236 249 R C 2.567 178.677 176.300 -0.317 0.000 1.137 249 R CA 1.647 57.627 56.100 -0.199 0.000 0.943 249 R CB -0.492 29.700 30.300 -0.181 0.000 0.846 249 R HN 0.142 nan 8.270 nan 0.000 0.431 250 V N 1.556 121.242 119.914 -0.381 0.000 2.343 250 V HA -0.283 3.837 4.120 -0.001 0.000 0.247 250 V C 2.432 178.304 176.094 -0.370 0.000 1.051 250 V CA 1.843 63.896 62.300 -0.411 0.000 1.036 250 V CB -0.497 31.015 31.823 -0.518 0.000 0.654 250 V HN 0.339 nan 8.190 nan 0.000 0.451 251 K N 0.499 120.758 120.400 -0.234 0.000 2.026 251 K HA -0.231 4.089 4.320 -0.001 0.000 0.208 251 K C 2.228 178.709 176.600 -0.200 0.000 1.048 251 K CA 1.868 58.053 56.287 -0.170 0.000 0.929 251 K CB -0.157 32.292 32.500 -0.084 0.000 0.713 251 K HN 0.770 nan 8.250 nan 0.000 0.439 252 E N -0.015 120.064 120.200 -0.202 0.000 2.268 252 E HA -0.166 4.183 4.350 -0.001 0.000 0.195 252 E C 1.572 178.057 176.600 -0.192 0.000 0.995 252 E CA 0.644 56.948 56.400 -0.160 0.000 0.836 252 E CB 0.091 29.706 29.700 -0.140 0.000 0.763 252 E HN 0.172 nan 8.360 nan 0.000 0.491 253 L N 1.145 122.088 121.223 -0.467 0.000 2.463 253 L HA 0.114 4.453 4.340 -0.001 0.000 0.219 253 L C 2.040 178.324 176.870 -0.978 0.000 1.088 253 L CA 1.029 55.415 54.840 -0.756 0.000 0.849 253 L CB -0.447 40.805 42.059 -1.344 0.000 1.012 253 L HN 0.109 nan 8.230 nan 0.000 0.468 254 T N 1.111 115.138 114.554 -0.878 0.000 2.721 254 T HA -0.126 4.224 4.350 -0.001 0.000 0.268 254 T C -0.573 174.008 174.700 -0.198 0.000 1.038 254 T CA 1.742 63.521 62.100 -0.534 0.000 1.145 254 T CB -0.802 67.927 68.868 -0.233 0.000 0.858 254 T HN 0.241 nan 8.240 nan 0.000 0.459 255 P HA 0.023 nan 4.420 nan 0.000 0.229 255 P C 0.259 177.307 177.300 -0.420 0.000 1.160 255 P CA 0.798 63.698 63.100 -0.334 0.000 0.777 255 P CB -0.179 31.223 31.700 -0.497 0.000 0.814 256 Y N -0.924 119.342 120.300 -0.056 0.000 2.493 256 Y HA 0.190 4.739 4.550 -0.001 0.000 0.275 256 Y C 1.264 177.278 175.900 0.191 0.000 1.183 256 Y CA -0.539 57.580 58.100 0.032 0.000 1.258 256 Y CB -0.587 37.863 38.460 -0.017 0.000 1.108 256 Y HN -0.017 nan 8.280 nan 0.000 0.521 257 Q N 1.508 121.536 119.800 0.380 0.000 2.283 257 Q HA 0.043 4.382 4.340 -0.001 0.000 0.301 257 Q C -0.431 175.682 176.000 0.189 0.000 1.063 257 Q CA -0.047 56.000 55.803 0.407 0.000 0.952 257 Q CB 0.709 29.648 28.738 0.335 0.000 1.166 257 Q HN 0.105 nan 8.270 nan 0.000 0.381 258 V N 6.207 126.211 119.914 0.150 0.000 2.381 258 V HA 0.045 4.164 4.120 -0.001 0.000 0.257 258 V C -0.035 176.047 176.094 -0.020 0.000 1.057 258 V CA -0.247 62.095 62.300 0.070 0.000 1.013 258 V CB -0.493 31.408 31.823 0.130 0.000 1.069 258 V HN 0.807 nan 8.190 nan 0.000 0.484 259 N N 4.546 123.237 118.700 -0.015 0.000 2.619 259 N HA 0.485 5.225 4.740 -0.001 0.000 0.294 259 N C 0.710 176.192 175.510 -0.048 0.000 1.279 259 N CA -1.063 51.967 53.050 -0.032 0.000 0.867 259 N CB 0.498 38.983 38.487 -0.004 0.000 1.329 259 N HN 0.113 nan 8.380 nan 0.000 0.557 260 M N -0.330 119.252 119.600 -0.029 0.000 2.159 260 M HA -0.025 4.455 4.480 -0.001 0.000 0.263 260 M C 1.218 177.504 176.300 -0.023 0.000 1.063 260 M CA 1.376 56.665 55.300 -0.018 0.000 1.110 260 M CB -1.027 31.588 32.600 0.025 0.000 1.374 260 M HN 0.636 nan 8.290 nan 0.000 0.411 261 E N 0.290 120.482 120.200 -0.013 0.000 2.077 261 E HA -0.105 4.245 4.350 -0.001 0.000 0.193 261 E C 2.046 178.634 176.600 -0.020 0.000 0.989 261 E CA 1.457 57.850 56.400 -0.012 0.000 0.800 261 E CB -0.165 29.530 29.700 -0.008 0.000 0.746 261 E HN 0.465 nan 8.360 nan 0.000 0.452 262 A N 0.922 123.729 122.820 -0.022 0.000 1.902 262 A HA -0.191 4.128 4.320 -0.001 0.000 0.217 262 A C 2.161 179.721 177.584 -0.039 0.000 1.181 262 A CA 1.711 53.738 52.037 -0.016 0.000 0.623 262 A CB -0.359 18.644 19.000 0.005 0.000 0.818 262 A HN 0.157 nan 8.150 nan 0.000 0.443 263 M N -0.379 119.164 119.600 -0.094 0.000 2.117 263 M HA -0.109 4.371 4.480 -0.001 0.000 0.262 263 M C 2.086 178.309 176.300 -0.128 0.000 1.065 263 M CA 2.042 57.228 55.300 -0.190 0.000 1.114 263 M CB -1.256 31.099 32.600 -0.409 0.000 1.361 263 M HN 0.578 nan 8.290 nan 0.000 0.408 264 K N 0.666 121.024 120.400 -0.068 0.000 2.097 264 K HA -0.150 4.170 4.320 -0.001 0.000 0.206 264 K C 1.935 178.530 176.600 -0.008 0.000 1.049 264 K CA 1.332 57.608 56.287 -0.019 0.000 0.933 264 K CB 0.040 32.541 32.500 0.002 0.000 0.717 264 K HN 0.202 nan 8.250 nan 0.000 0.442 265 K N 0.063 120.458 120.400 -0.009 0.000 2.280 265 K HA -0.115 4.205 4.320 -0.001 0.000 0.202 265 K C 1.996 178.604 176.600 0.013 0.000 1.047 265 K CA 1.716 58.005 56.287 0.005 0.000 0.942 265 K CB -0.132 32.372 32.500 0.007 0.000 0.739 265 K HN 0.485 nan 8.250 nan 0.000 0.457 266 T N -2.749 111.808 114.554 0.004 0.000 2.788 266 T HA -0.086 4.264 4.350 -0.001 0.000 0.268 266 T C 1.725 176.438 174.700 0.021 0.000 1.044 266 T CA 1.395 63.503 62.100 0.014 0.000 1.139 266 T CB -0.380 68.484 68.868 -0.006 0.000 0.867 266 T HN 0.387 nan 8.240 nan 0.000 0.454 267 G N 0.633 109.444 108.800 0.018 0.000 2.225 267 G HA2 -0.253 3.707 3.960 -0.001 0.000 0.254 267 G HA3 -0.253 3.707 3.960 -0.001 0.000 0.254 267 G C 0.331 175.252 174.900 0.034 0.000 0.988 267 G CA 0.281 45.396 45.100 0.026 0.000 0.625 267 G HN 0.804 nan 8.290 nan 0.000 0.527 268 T N 3.778 118.352 114.554 0.034 0.000 2.870 268 T HA 0.470 4.820 4.350 -0.001 0.000 0.300 268 T C -1.860 172.889 174.700 0.081 0.000 0.989 268 T CA -0.222 61.908 62.100 0.051 0.000 1.139 268 T CB 1.415 70.311 68.868 0.046 0.000 0.920 268 T HN 0.185 nan 8.240 nan 0.000 0.537 269 P HA 0.155 nan 4.420 nan 0.000 0.268 269 P C 0.505 177.895 177.300 0.149 0.000 1.205 269 P CA -0.315 62.847 63.100 0.103 0.000 0.771 269 P CB 0.484 32.233 31.700 0.082 0.000 0.858 270 D N 1.300 121.795 120.400 0.159 0.000 2.220 270 D HA -0.220 4.419 4.640 -0.001 0.000 0.198 270 D C 0.917 177.301 176.300 0.140 0.000 1.001 270 D CA 1.776 55.888 54.000 0.186 0.000 0.875 270 D CB -0.470 40.380 40.800 0.082 0.000 0.921 270 D HN 0.615 nan 8.370 nan 0.000 0.454 271 D N -1.228 119.236 120.400 0.106 0.000 2.328 271 D HA -0.026 4.614 4.640 -0.001 0.000 0.226 271 D C 0.932 177.328 176.300 0.159 0.000 1.066 271 D CA 0.276 54.327 54.000 0.084 0.000 0.861 271 D CB -0.060 40.774 40.800 0.056 0.000 0.912 271 D HN 0.136 nan 8.370 nan 0.000 0.521 272 Q N -0.536 119.410 119.800 0.244 0.000 2.093 272 Q HA 0.287 4.626 4.340 -0.001 0.000 0.217 272 Q C -1.021 175.259 176.000 0.466 0.000 0.785 272 Q CA -0.385 55.671 55.803 0.422 0.000 1.038 272 Q CB 1.283 30.162 28.738 0.234 0.000 1.190 272 Q HN 0.186 nan 8.270 nan 0.000 0.468 273 L N 1.863 123.316 121.223 0.383 0.000 2.381 273 L HA 0.611 4.950 4.340 -0.001 0.000 0.274 273 L C -1.111 175.987 176.870 0.379 0.000 0.988 273 L CA -0.875 54.170 54.840 0.341 0.000 0.824 273 L CB 1.402 43.590 42.059 0.215 0.000 1.263 273 L HN 0.139 nan 8.230 nan 0.000 0.410 274 I N 0.603 121.371 120.570 0.330 0.000 2.892 274 I HA 0.623 4.792 4.170 -0.001 0.000 0.306 274 I C -1.594 174.654 176.117 0.218 0.000 1.078 274 I CA -0.847 60.608 61.300 0.258 0.000 1.032 274 I CB 2.266 40.350 38.000 0.140 0.000 1.229 274 I HN 0.611 nan 8.210 nan 0.000 0.435 275 F N 4.858 124.837 119.950 0.047 0.000 2.480 275 F HA 0.789 5.316 4.527 -0.001 0.000 0.329 275 F C -1.007 174.722 175.800 -0.119 0.000 1.091 275 F CA -0.720 57.261 58.000 -0.032 0.000 0.972 275 F CB 1.853 40.837 39.000 -0.026 0.000 1.150 275 F HN 0.469 nan 8.300 nan 0.000 0.467 276 M N 5.809 124.661 119.600 -1.247 0.000 2.501 276 M HA 0.321 4.801 4.480 -0.001 0.000 0.293 276 M C -1.804 173.576 176.300 -1.534 0.000 1.192 276 M CA -0.706 53.904 55.300 -1.150 0.000 0.886 276 M CB 2.392 34.517 32.600 -0.792 0.000 1.710 276 M HN 0.629 nan 8.290 nan 0.000 0.457 277 H N 1.221 119.593 119.070 -1.164 0.000 3.128 277 H HA 0.217 4.773 4.556 -0.001 0.000 0.336 277 H C 0.160 175.222 175.328 -0.444 0.000 1.026 277 H CA -0.892 54.717 56.048 -0.732 0.000 1.376 277 H CB 1.648 31.239 29.762 -0.286 0.000 1.882 277 H HN 1.038 nan 8.280 nan 0.000 0.479 278 C N 3.864 123.162 119.300 -0.003 0.000 2.449 278 C HA 0.298 4.758 4.460 -0.001 0.000 0.283 278 C C 1.086 176.191 174.990 0.191 0.000 1.453 278 C CA -0.105 58.985 59.018 0.120 0.000 1.779 278 C CB -1.751 26.138 27.740 0.247 0.000 1.779 278 C HN 0.713 nan 8.230 nan 0.000 0.546 279 L N -1.959 119.490 121.223 0.377 0.000 0.585 279 L HA -0.100 4.240 4.340 -0.001 0.000 0.356 279 L C -2.329 174.642 176.870 0.169 0.000 0.995 279 L CA -0.330 54.597 54.840 0.146 0.000 1.223 279 L CB -1.397 40.670 42.059 0.014 0.000 0.010 279 L HN 0.052 nan 8.230 nan 0.000 0.091 280 P HA 0.367 nan 4.420 nan 0.000 0.269 280 P C -0.852 176.448 177.300 0.001 0.000 1.209 280 P CA -0.048 63.077 63.100 0.041 0.000 0.776 280 P CB 0.801 32.520 31.700 0.031 0.000 0.876 281 A N 2.599 125.320 122.820 -0.164 0.000 2.337 281 A HA 0.518 4.838 4.320 -0.001 0.000 0.329 281 A C -1.000 176.567 177.584 -0.029 0.000 1.146 281 A CA -0.678 51.207 52.037 -0.253 0.000 0.800 281 A CB 0.438 19.070 19.000 -0.613 0.000 1.220 281 A HN 0.626 nan 8.150 nan 0.000 0.472 282 F N 3.290 123.172 119.950 -0.115 0.000 2.384 282 F HA 0.344 4.870 4.527 -0.001 0.000 0.359 282 F C 0.910 176.584 175.800 -0.209 0.000 1.143 282 F CA -0.458 57.449 58.000 -0.154 0.000 1.216 282 F CB 0.266 39.222 39.000 -0.074 0.000 1.512 282 F HN 0.931 nan 8.300 nan 0.000 0.573 283 H N 1.364 120.436 119.070 0.004 0.000 2.893 283 H HA 0.375 4.930 4.556 -0.001 0.000 0.270 283 H C -0.461 174.852 175.328 -0.025 0.000 1.095 283 H CA -0.233 55.732 56.048 -0.139 0.000 1.186 283 H CB 0.103 29.521 29.762 -0.573 0.000 1.562 283 H HN 0.470 nan 8.280 nan 0.000 0.536 284 N N -1.573 116.953 118.700 -0.290 0.000 3.449 284 N HA 0.136 4.875 4.740 -0.001 0.000 0.312 284 N C -0.468 174.957 175.510 -0.141 0.000 1.557 284 N CA -0.413 52.535 53.050 -0.170 0.000 0.864 284 N CB 0.873 39.209 38.487 -0.252 0.000 1.799 284 N HN -0.045 nan 8.380 nan 0.000 0.554 285 T N -1.051 113.435 114.554 -0.112 0.000 3.182 285 T HA 0.236 4.585 4.350 -0.001 0.000 0.277 285 T C -0.771 173.847 174.700 -0.136 0.000 1.013 285 T CA -0.076 61.963 62.100 -0.100 0.000 0.900 285 T CB -0.513 68.352 68.868 -0.004 0.000 1.098 285 T HN 0.381 nan 8.240 nan 0.000 0.543 286 D N 2.840 123.136 120.400 -0.172 0.000 2.663 286 D HA 0.122 4.762 4.640 -0.001 0.000 0.243 286 D C 0.622 176.833 176.300 -0.148 0.000 1.218 286 D CA 0.270 54.188 54.000 -0.136 0.000 0.846 286 D CB -0.091 40.640 40.800 -0.116 0.000 1.014 286 D HN 0.487 nan 8.370 nan 0.000 0.476 287 T N -4.742 109.711 114.554 -0.169 0.000 2.900 287 T HA 0.208 4.558 4.350 -0.001 0.000 0.303 287 T C 0.869 175.518 174.700 -0.086 0.000 1.142 287 T CA -0.856 61.167 62.100 -0.129 0.000 1.007 287 T CB 2.371 71.141 68.868 -0.162 0.000 1.156 287 T HN -0.088 nan 8.240 nan 0.000 0.490 288 Q N 0.023 119.802 119.800 -0.035 0.000 2.112 288 Q HA -0.217 4.122 4.340 -0.001 0.000 0.206 288 Q C 1.505 177.516 176.000 0.017 0.000 0.987 288 Q CA 1.864 57.663 55.803 -0.007 0.000 0.858 288 Q CB -0.322 28.424 28.738 0.014 0.000 0.905 288 Q HN 0.813 nan 8.270 nan 0.000 0.420 289 Y N 0.042 120.281 120.300 -0.101 0.000 2.145 289 Y HA -0.084 4.466 4.550 -0.001 0.000 0.286 289 Y C 2.104 177.931 175.900 -0.122 0.000 1.145 289 Y CA 1.941 59.991 58.100 -0.084 0.000 1.148 289 Y CB -0.739 37.672 38.460 -0.082 0.000 0.981 289 Y HN 0.196 nan 8.280 nan 0.000 0.507 290 G N 0.064 108.705 108.800 -0.265 0.000 2.442 290 G HA2 -0.259 3.700 3.960 -0.001 0.000 0.219 290 G HA3 -0.259 3.700 3.960 -0.001 0.000 0.219 290 G C 1.690 176.508 174.900 -0.136 0.000 1.141 290 G CA 0.999 45.827 45.100 -0.452 0.000 0.763 290 G HN 0.381 nan 8.290 nan 0.000 0.554 291 K N 0.290 120.625 120.400 -0.109 0.000 2.057 291 K HA -0.035 4.285 4.320 -0.001 0.000 0.206 291 K C 2.446 179.016 176.600 -0.051 0.000 1.050 291 K CA 1.263 57.517 56.287 -0.054 0.000 0.935 291 K CB -0.117 32.354 32.500 -0.049 0.000 0.715 291 K HN 0.378 nan 8.250 nan 0.000 0.439 292 E N 0.598 120.745 120.200 -0.088 0.000 2.110 292 E HA -0.151 4.199 4.350 -0.001 0.000 0.193 292 E C 1.880 178.423 176.600 -0.094 0.000 0.988 292 E CA 0.781 57.118 56.400 -0.104 0.000 0.804 292 E CB 0.032 29.657 29.700 -0.124 0.000 0.745 292 E HN 0.158 nan 8.360 nan 0.000 0.458 293 I N 1.434 121.957 120.570 -0.079 0.000 2.315 293 I HA -0.204 3.965 4.170 -0.001 0.000 0.248 293 I C 2.260 178.494 176.117 0.195 0.000 1.117 293 I CA 1.303 62.680 61.300 0.128 0.000 1.404 293 I CB -0.882 37.281 38.000 0.271 0.000 1.071 293 I HN 0.060 nan 8.210 nan 0.000 0.419 294 K N 0.682 121.161 120.400 0.131 0.000 2.057 294 K HA -0.169 4.151 4.320 -0.001 0.000 0.206 294 K C 1.974 178.604 176.600 0.049 0.000 1.050 294 K CA 1.077 57.431 56.287 0.111 0.000 0.935 294 K CB 0.167 32.717 32.500 0.084 0.000 0.715 294 K HN 0.157 nan 8.250 nan 0.000 0.439 295 E N 0.938 121.137 120.200 -0.001 0.000 2.051 295 E HA -0.199 4.151 4.350 -0.001 0.000 0.192 295 E C 1.973 178.514 176.600 -0.099 0.000 0.991 295 E CA 1.264 57.637 56.400 -0.044 0.000 0.799 295 E CB -0.002 29.663 29.700 -0.058 0.000 0.748 295 E HN 0.245 nan 8.360 nan 0.000 0.449 296 K N -0.843 119.453 120.400 -0.173 0.000 2.103 296 K HA -0.123 4.196 4.320 -0.001 0.000 0.204 296 K C 1.159 177.446 176.600 -0.521 0.000 1.052 296 K CA 1.166 57.194 56.287 -0.432 0.000 0.945 296 K CB 0.097 32.198 32.500 -0.664 0.000 0.722 296 K HN 0.083 nan 8.250 nan 0.000 0.443 297 Y N -1.979 118.328 120.300 0.012 0.000 2.499 297 Y HA 0.276 4.826 4.550 -0.001 0.000 0.253 297 Y C 1.059 176.994 175.900 0.058 0.000 1.105 297 Y CA 0.012 58.146 58.100 0.056 0.000 1.240 297 Y CB 1.476 40.011 38.460 0.125 0.000 1.289 297 Y HN 0.190 nan 8.280 nan 0.000 0.534 298 G N 1.308 110.201 108.800 0.155 0.000 2.168 298 G HA2 -0.329 3.631 3.960 -0.001 0.000 0.263 298 G HA3 -0.329 3.631 3.960 -0.001 0.000 0.263 298 G C 0.143 175.116 174.900 0.122 0.000 0.977 298 G CA 0.308 45.475 45.100 0.112 0.000 0.659 298 G HN 0.317 nan 8.290 nan 0.000 0.533 299 I N 0.618 121.288 120.570 0.168 0.000 2.441 299 I HA 0.350 4.520 4.170 -0.001 0.000 0.287 299 I C 1.500 177.681 176.117 0.106 0.000 1.049 299 I CA 0.604 61.969 61.300 0.109 0.000 1.381 299 I CB 1.549 39.607 38.000 0.097 0.000 1.409 299 I HN 0.096 nan 8.210 nan 0.000 0.523 300 T N 4.634 119.218 114.554 0.051 0.000 2.969 300 T HA 0.237 4.587 4.350 -0.001 0.000 0.250 300 T C 0.172 174.948 174.700 0.126 0.000 1.021 300 T CA 0.462 62.630 62.100 0.112 0.000 1.003 300 T CB 0.187 69.099 68.868 0.072 0.000 1.040 300 T HN 0.627 nan 8.240 nan 0.000 0.492 301 E N -0.198 119.930 120.200 -0.120 0.000 2.372 301 E HA 0.472 4.821 4.350 -0.001 0.000 0.279 301 E C -0.562 175.688 176.600 -0.583 0.000 0.946 301 E CA -0.383 55.869 56.400 -0.246 0.000 0.769 301 E CB 2.635 32.284 29.700 -0.085 0.000 1.230 301 E HN 0.094 nan 8.360 nan 0.000 0.442 302 M N 1.000 120.080 119.600 -0.867 0.000 2.371 302 M HA 0.072 4.552 4.480 -0.001 0.000 0.183 302 M C 1.698 177.274 176.300 -1.207 0.000 1.550 302 M CA -0.227 54.349 55.300 -1.207 0.000 1.726 302 M CB -0.058 31.679 32.600 -1.439 0.000 0.963 302 M HN 0.604 nan 8.290 nan 0.000 0.795 303 E N 0.896 120.294 120.200 -1.336 0.000 2.267 303 E HA -0.076 4.273 4.350 -0.001 0.000 0.197 303 E C 0.140 176.666 176.600 -0.123 0.000 0.998 303 E CA 1.023 56.985 56.400 -0.731 0.000 0.830 303 E CB -0.077 29.309 29.700 -0.523 0.000 0.751 303 E HN 0.247 nan 8.360 nan 0.000 0.491 304 V N 1.565 121.426 119.914 -0.088 0.000 2.851 304 V HA 0.274 4.394 4.120 -0.001 0.000 0.307 304 V C -0.575 175.505 176.094 -0.024 0.000 1.129 304 V CA -0.198 62.102 62.300 -0.000 0.000 0.932 304 V CB 2.103 34.005 31.823 0.133 0.000 1.024 304 V HN 0.355 nan 8.190 nan 0.000 0.426 305 T N 1.268 115.800 114.554 -0.036 0.000 2.913 305 T HA 0.192 4.542 4.350 -0.001 0.000 0.297 305 T C 0.840 175.576 174.700 0.061 0.000 1.029 305 T CA 0.323 62.425 62.100 0.003 0.000 1.104 305 T CB 1.035 69.901 68.868 -0.003 0.000 0.964 305 T HN 0.748 nan 8.240 nan 0.000 0.532 306 D N 0.458 120.926 120.400 0.113 0.000 2.158 306 D HA -0.180 4.460 4.640 -0.001 0.000 0.197 306 D C 1.851 178.237 176.300 0.144 0.000 0.995 306 D CA 1.641 55.758 54.000 0.194 0.000 0.846 306 D CB -0.135 40.773 40.800 0.179 0.000 0.941 306 D HN 0.892 nan 8.370 nan 0.000 0.456 307 E N -0.519 119.728 120.200 0.078 0.000 2.038 307 E HA -0.172 4.177 4.350 -0.001 0.000 0.195 307 E C 2.107 178.725 176.600 0.030 0.000 1.000 307 E CA 1.309 57.740 56.400 0.052 0.000 0.803 307 E CB 0.018 29.740 29.700 0.036 0.000 0.750 307 E HN 0.128 nan 8.360 nan 0.000 0.448 308 V N 0.531 120.427 119.914 -0.030 0.000 2.427 308 V HA -0.203 3.916 4.120 -0.001 0.000 0.248 308 V C 2.042 178.022 176.094 -0.189 0.000 1.051 308 V CA 1.703 63.918 62.300 -0.140 0.000 1.048 308 V CB -0.561 31.054 31.823 -0.347 0.000 0.666 308 V HN 0.339 nan 8.190 nan 0.000 0.456 309 F N 1.710 121.492 119.950 -0.280 0.000 2.216 309 F HA -0.166 4.361 4.527 -0.001 0.000 0.300 309 F C 2.214 177.950 175.800 -0.107 0.000 1.085 309 F CA 1.719 59.566 58.000 -0.256 0.000 1.326 309 F CB 0.032 38.821 39.000 -0.353 0.000 1.027 309 F HN 0.312 nan 8.300 nan 0.000 0.497 310 T N -2.522 112.075 114.554 0.073 0.000 3.214 310 T HA 0.261 4.610 4.350 -0.001 0.000 0.264 310 T C 0.483 175.189 174.700 0.011 0.000 1.012 310 T CA 0.092 62.226 62.100 0.056 0.000 0.901 310 T CB -0.627 68.309 68.868 0.113 0.000 1.070 310 T HN 0.180 nan 8.240 nan 0.000 0.561 311 S N 1.134 116.831 115.700 -0.006 0.000 2.738 311 S HA 0.370 4.840 4.470 -0.001 0.000 0.284 311 S C 1.325 175.874 174.600 -0.084 0.000 1.146 311 S CA -0.795 57.393 58.200 -0.021 0.000 0.997 311 S CB 1.531 64.769 63.200 0.065 0.000 1.081 311 S HN 0.453 nan 8.310 nan 0.000 0.553 312 K N -0.431 119.835 120.400 -0.224 0.000 2.442 312 K HA -0.093 4.227 4.320 -0.001 0.000 0.198 312 K C 0.887 177.317 176.600 -0.283 0.000 1.042 312 K CA 1.259 57.373 56.287 -0.287 0.000 0.958 312 K CB -0.629 31.644 32.500 -0.378 0.000 0.766 312 K HN 0.742 nan 8.250 nan 0.000 0.474 313 Y N 1.463 121.761 120.300 -0.005 0.000 2.519 313 Y HA 0.209 4.758 4.550 -0.001 0.000 0.287 313 Y C 1.202 177.128 175.900 0.044 0.000 1.128 313 Y CA -0.249 57.868 58.100 0.029 0.000 1.282 313 Y CB 0.085 38.583 38.460 0.063 0.000 1.027 313 Y HN 0.086 nan 8.280 nan 0.000 0.551 314 A N 1.296 124.192 122.820 0.126 0.000 2.491 314 A HA 0.281 4.601 4.320 -0.001 0.000 0.261 314 A C 0.895 178.469 177.584 -0.017 0.000 1.101 314 A CA -0.248 51.830 52.037 0.067 0.000 0.772 314 A CB 0.229 19.180 19.000 -0.082 0.000 1.043 314 A HN 0.288 nan 8.150 nan 0.000 0.501 315 R N 1.861 122.320 120.500 -0.067 0.000 2.572 315 R HA 0.060 4.399 4.340 -0.001 0.000 0.370 315 R C 0.891 177.062 176.300 -0.214 0.000 1.005 315 R CA 0.105 56.133 56.100 -0.119 0.000 1.146 315 R CB 0.092 30.327 30.300 -0.108 0.000 1.390 315 R HN 0.882 nan 8.270 nan 0.000 0.553 316 Q N -0.153 119.429 119.800 -0.365 0.000 2.112 316 Q HA -0.093 4.247 4.340 -0.001 0.000 0.206 316 Q C 1.092 176.830 176.000 -0.437 0.000 0.987 316 Q CA 1.793 57.285 55.803 -0.518 0.000 0.858 316 Q CB -0.348 27.869 28.738 -0.868 0.000 0.905 316 Q HN 0.204 nan 8.270 nan 0.000 0.420 317 F N 0.383 120.237 119.950 -0.160 0.000 2.234 317 F HA -0.007 4.519 4.527 -0.000 0.000 0.296 317 F C 2.277 178.029 175.800 -0.081 0.000 1.089 317 F CA 1.035 58.972 58.000 -0.106 0.000 1.343 317 F CB -0.384 38.555 39.000 -0.103 0.000 1.040 317 F HN 0.174 nan 8.300 nan 0.000 0.498 318 E N 0.801 121.037 120.200 0.060 0.000 2.051 318 E HA -0.283 4.067 4.350 -0.001 0.000 0.192 318 E C 2.217 178.810 176.600 -0.013 0.000 0.991 318 E CA 1.551 57.960 56.400 0.015 0.000 0.799 318 E CB -0.293 29.394 29.700 -0.021 0.000 0.748 318 E HN 0.527 nan 8.360 nan 0.000 0.449 319 E N 0.041 120.199 120.200 -0.070 0.000 2.118 319 E HA -0.240 4.109 4.350 -0.001 0.000 0.195 319 E C 1.905 178.464 176.600 -0.068 0.000 0.992 319 E CA 1.162 57.507 56.400 -0.092 0.000 0.804 319 E CB -0.178 29.419 29.700 -0.173 0.000 0.741 319 E HN 0.359 nan 8.360 nan 0.000 0.458 320 A N 1.321 124.105 122.820 -0.059 0.000 1.873 320 A HA -0.209 4.111 4.320 -0.001 0.000 0.215 320 A C 2.108 179.682 177.584 -0.016 0.000 1.186 320 A CA 1.514 53.537 52.037 -0.023 0.000 0.616 320 A CB -0.605 18.407 19.000 0.020 0.000 0.823 320 A HN 0.456 nan 8.150 nan 0.000 0.442 321 E N 0.112 120.316 120.200 0.006 0.000 2.118 321 E HA -0.243 4.107 4.350 -0.001 0.000 0.195 321 E C 1.283 177.839 176.600 -0.074 0.000 0.992 321 E CA 1.356 57.738 56.400 -0.030 0.000 0.804 321 E CB -0.188 29.531 29.700 0.033 0.000 0.741 321 E HN 0.520 nan 8.360 nan 0.000 0.458 322 N N 0.686 119.393 118.700 0.012 0.000 2.519 322 N HA -0.113 4.627 4.740 -0.001 0.000 0.186 322 N C 1.467 176.940 175.510 -0.062 0.000 1.062 322 N CA 0.448 53.521 53.050 0.038 0.000 0.910 322 N CB -0.177 38.326 38.487 0.028 0.000 0.958 322 N HN 0.165 nan 8.380 nan 0.000 0.445 323 R N 0.377 120.818 120.500 -0.098 0.000 2.091 323 R HA -0.082 4.257 4.340 -0.001 0.000 0.238 323 R C 2.042 178.215 176.300 -0.212 0.000 1.136 323 R CA 0.769 56.793 56.100 -0.127 0.000 0.959 323 R CB -0.602 29.647 30.300 -0.084 0.000 0.856 323 R HN 0.387 nan 8.270 nan 0.000 0.437 324 M N -0.036 119.406 119.600 -0.264 0.000 2.081 324 M HA -0.130 4.350 4.480 -0.001 0.000 0.261 324 M C 2.050 178.136 176.300 -0.357 0.000 1.075 324 M CA 1.637 56.725 55.300 -0.353 0.000 1.133 324 M CB -0.327 32.013 32.600 -0.434 0.000 1.330 324 M HN 0.167 nan 8.290 nan 0.000 0.414 325 H N -0.255 118.709 119.070 -0.177 0.000 2.387 325 H HA -0.089 4.466 4.556 -0.001 0.000 0.299 325 H C 2.376 177.553 175.328 -0.252 0.000 1.090 325 H CA 1.984 57.910 56.048 -0.202 0.000 1.332 325 H CB -0.797 28.868 29.762 -0.162 0.000 1.386 325 H HN 0.514 nan 8.280 nan 0.000 0.516 326 S N 0.528 116.159 115.700 -0.115 0.000 2.368 326 S HA -0.078 4.392 4.470 -0.001 0.000 0.224 326 S C 2.333 176.762 174.600 -0.285 0.000 1.029 326 S CA 0.762 58.857 58.200 -0.176 0.000 0.988 326 S CB -0.679 62.447 63.200 -0.124 0.000 0.838 326 S HN 0.246 nan 8.310 nan 0.000 0.462 327 I N 2.012 122.360 120.570 -0.370 0.000 2.286 327 I HA -0.165 4.005 4.170 -0.001 0.000 0.248 327 I C 2.816 178.611 176.117 -0.538 0.000 1.115 327 I CA 1.499 62.454 61.300 -0.574 0.000 1.392 327 I CB -0.245 37.217 38.000 -0.896 0.000 1.065 327 I HN 0.354 nan 8.210 nan 0.000 0.418 328 K N 1.126 121.277 120.400 -0.414 0.000 2.032 328 K HA -0.231 4.089 4.320 -0.001 0.000 0.209 328 K C 2.195 178.554 176.600 -0.403 0.000 1.048 328 K CA 1.640 57.723 56.287 -0.341 0.000 0.927 328 K CB -0.156 32.202 32.500 -0.236 0.000 0.712 328 K HN 0.305 nan 8.250 nan 0.000 0.441 329 A N 1.702 124.215 122.820 -0.512 0.000 1.883 329 A HA -0.229 4.091 4.320 -0.001 0.000 0.217 329 A C 2.177 179.551 177.584 -0.351 0.000 1.186 329 A CA 1.910 53.516 52.037 -0.718 0.000 0.624 329 A CB -0.615 18.024 19.000 -0.600 0.000 0.822 329 A HN 0.570 nan 8.150 nan 0.000 0.444 330 M N -1.104 118.296 119.600 -0.334 0.000 2.086 330 M HA -0.156 4.324 4.480 -0.001 0.000 0.261 330 M C 2.171 178.313 176.300 -0.263 0.000 1.067 330 M CA 2.121 57.245 55.300 -0.294 0.000 1.116 330 M CB -0.247 32.156 32.600 -0.328 0.000 1.348 330 M HN 0.458 nan 8.290 nan 0.000 0.407 331 M N -0.154 119.171 119.600 -0.458 0.000 2.132 331 M HA -0.098 4.382 4.480 -0.001 0.000 0.263 331 M C 2.377 178.676 176.300 -0.001 0.000 1.065 331 M CA 1.554 56.592 55.300 -0.436 0.000 1.122 331 M CB -0.580 31.631 32.600 -0.649 0.000 1.365 331 M HN 0.500 nan 8.290 nan 0.000 0.411 332 A N 0.594 123.418 122.820 0.007 0.000 1.883 332 A HA -0.095 4.224 4.320 -0.001 0.000 0.217 332 A C 2.364 180.130 177.584 0.303 0.000 1.186 332 A CA 2.056 54.229 52.037 0.228 0.000 0.624 332 A CB -0.967 18.191 19.000 0.263 0.000 0.822 332 A HN 0.495 nan 8.150 nan 0.000 0.444 333 A N -1.951 121.037 122.820 0.279 0.000 1.930 333 A HA -0.056 4.264 4.320 -0.001 0.000 0.217 333 A C 2.293 180.023 177.584 0.244 0.000 1.175 333 A CA 2.242 54.401 52.037 0.202 0.000 0.627 333 A CB -0.919 17.990 19.000 -0.152 0.000 0.815 333 A HN 0.409 nan 8.150 nan 0.000 0.443 334 T N -1.440 113.281 114.554 0.277 0.000 3.035 334 T HA 0.268 4.618 4.350 -0.001 0.000 0.259 334 T C 1.367 176.292 174.700 0.374 0.000 1.078 334 T CA 0.825 63.159 62.100 0.390 0.000 1.132 334 T CB -0.084 69.116 68.868 0.553 0.000 0.900 334 T HN 0.296 nan 8.240 nan 0.000 0.480 335 L N -0.787 120.657 121.223 0.368 0.000 2.948 335 L HA 0.358 4.697 4.340 -0.001 0.000 0.259 335 L C 2.219 179.251 176.870 0.269 0.000 1.136 335 L CA 0.275 55.317 54.840 0.337 0.000 0.959 335 L CB 0.191 42.520 42.059 0.449 0.000 1.370 335 L HN 0.275 nan 8.230 nan 0.000 0.552 336 G N -0.146 108.812 108.800 0.264 0.000 2.708 336 G HA2 -0.216 3.744 3.960 -0.001 0.000 0.210 336 G HA3 -0.216 3.744 3.960 -0.001 0.000 0.210 336 G C 0.654 175.665 174.900 0.185 0.000 1.141 336 G CA 0.195 45.446 45.100 0.251 0.000 0.788 336 G HN 0.526 nan 8.290 nan 0.000 0.531 337 N N -0.776 118.025 118.700 0.168 0.000 2.710 337 N HA -0.140 4.600 4.740 -0.001 0.000 0.249 337 N C 0.170 175.749 175.510 0.114 0.000 1.059 337 N CA 0.574 53.708 53.050 0.139 0.000 0.720 337 N CB -1.115 37.452 38.487 0.133 0.000 0.983 337 N HN 0.351 nan 8.380 nan 0.000 0.544 338 L N 0.234 121.506 121.223 0.081 0.000 2.439 338 L HA 0.158 4.497 4.340 -0.001 0.000 0.269 338 L C 1.042 177.979 176.870 0.110 0.000 1.179 338 L CA -0.408 54.448 54.840 0.027 0.000 0.828 338 L CB 0.106 42.108 42.059 -0.094 0.000 1.106 338 L HN 0.024 nan 8.230 nan 0.000 0.467 339 F N 4.691 124.618 119.950 -0.039 0.000 2.506 339 F HA 0.268 4.795 4.527 -0.001 0.000 0.369 339 F C 0.103 175.881 175.800 -0.036 0.000 1.114 339 F CA -0.303 57.683 58.000 -0.023 0.000 1.121 339 F CB -0.198 38.789 39.000 -0.021 0.000 1.104 339 F HN 0.156 nan 8.300 nan 0.000 0.564 340 I N 9.670 130.002 120.570 -0.397 0.000 2.714 340 I HA 0.188 4.358 4.170 -0.001 0.000 0.276 340 I C -1.828 173.977 176.117 -0.520 0.000 1.196 340 I CA -1.389 59.650 61.300 -0.435 0.000 1.068 340 I CB 1.432 39.305 38.000 -0.212 0.000 1.291 340 I HN 0.351 nan 8.210 nan 0.000 0.530 341 P HA -0.063 nan 4.420 nan 0.000 0.219 341 P C 0.500 177.623 177.300 -0.295 0.000 1.150 341 P CA 0.996 63.805 63.100 -0.485 0.000 0.814 341 P CB 0.683 32.086 31.700 -0.495 0.000 0.787 342 R N -0.751 119.569 120.500 -0.300 0.000 2.626 342 R HA 0.450 4.790 4.340 -0.001 0.000 0.274 342 R C -1.007 175.133 176.300 -0.266 0.000 1.031 342 R CA -0.743 55.219 56.100 -0.230 0.000 0.898 342 R CB 3.051 33.262 30.300 -0.148 0.000 1.222 342 R HN -0.180 nan 8.270 nan 0.000 0.455 343 V N 0.000 119.748 119.914 -0.277 0.000 2.409 343 V HA 0.000 4.120 4.120 -0.001 0.000 0.244 343 V CA 0.000 62.099 62.300 -0.335 0.000 1.235 343 V CB 0.000 31.599 31.823 -0.374 0.000 1.184 343 V HN 0.000 nan 8.190 nan 0.000 0.556