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 2hv2_1_B DATA FIRST_RESID 2 DATA SEQUENCE TTKRVKKXGK EEXKEXFDLV IYAFNQEPTA ERQERFEKLL SHTQSYGFLI DATA SEQUENCE DEQLTSQVXA TPFQVNFHGV RYPXAGIGYV ASYPEYRGEG GISAIXKEXL DATA SEQUENCE ADLAKQKVAL SYLAPFSYPF YRQYGYEQTF EQAEYTIKTE DWPRVKRVPG DATA SEQUENCE TIKRVSWADG KEVIKDVYLE NQRAHSGGVI RETWWLDYTL NRASKPNNQA DATA SEQUENCE IYYSSEGKAE GYVIYRIAAG TFEIVEWNYL TNTAFKALAG FIGSHSGSVQ DATA SEQUENCE SFHWINGFAG KDLNDLXPTP AASVKILPYX XARIVELQTF LEKYPFQSGE DATA SEQUENCE KETYSLEIED SYGPWNEGIW TITIDEQGKA TVTKGAAXXX XTAALKADIQ DATA SEQUENCE TWTQLFLGYR SAETLSFYER LQGDATIAQR LGQRLVKGXP ILEDYF 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 2 T HA 0.000 nan 4.350 nan 0.000 0.228 2 T C 0.000 174.710 174.700 0.016 0.000 1.109 2 T CA 0.000 62.118 62.100 0.030 0.000 1.349 2 T CB 0.000 68.898 68.868 0.051 0.000 0.612 3 T N 1.809 116.359 114.554 -0.006 0.000 2.834 3 T HA 0.567 4.917 4.350 0.000 0.000 0.298 3 T C -0.323 174.332 174.700 -0.074 0.000 0.966 3 T CA -0.447 61.638 62.100 -0.026 0.000 1.141 3 T CB 0.195 69.045 68.868 -0.031 0.000 0.905 3 T HN 0.488 nan 8.240 nan 0.000 0.535 4 K N 3.179 123.528 120.400 -0.084 0.000 2.324 4 K HA 0.667 4.987 4.320 0.000 0.000 0.253 4 K C -0.234 176.235 176.600 -0.218 0.000 0.932 4 K CA -1.015 55.133 56.287 -0.232 0.000 0.799 4 K CB 2.119 34.594 32.500 -0.042 0.000 1.154 4 K HN 0.872 nan 8.250 nan 0.000 0.425 5 R N -0.375 119.887 120.500 -0.396 0.000 2.629 5 R HA 0.406 4.746 4.340 0.000 0.000 0.266 5 R C -1.419 174.824 176.300 -0.096 0.000 1.051 5 R CA -0.996 55.021 56.100 -0.137 0.000 0.895 5 R CB 0.705 30.959 30.300 -0.077 0.000 1.246 5 R HN 0.193 nan 8.270 nan 0.000 0.459 6 V N 2.003 121.992 119.914 0.125 0.000 2.465 6 V HA 0.406 4.526 4.120 0.000 0.000 0.279 6 V C -0.002 176.166 176.094 0.123 0.000 1.045 6 V CA -0.258 62.167 62.300 0.210 0.000 0.938 6 V CB 1.261 33.248 31.823 0.273 0.000 0.986 6 V HN 0.684 nan 8.190 nan 0.000 0.467 7 K N 4.420 124.883 120.400 0.106 0.000 2.427 7 K HA 0.494 4.814 4.320 0.000 0.000 0.252 7 K C -0.492 176.121 176.600 0.023 0.000 0.931 7 K CA -0.808 55.507 56.287 0.046 0.000 0.793 7 K CB 2.052 34.554 32.500 0.003 0.000 1.211 7 K HN 0.606 nan 8.250 nan 0.000 0.426 11 K N -0.193 120.161 120.400 -0.077 0.000 2.360 11 K HA -0.036 4.285 4.320 0.000 0.000 0.201 11 K C 2.016 178.601 176.600 -0.025 0.000 1.046 11 K CA 1.574 57.827 56.287 -0.057 0.000 0.945 11 K CB 0.065 32.516 32.500 -0.082 0.000 0.750 11 K HN 0.481 nan 8.250 nan 0.000 0.464 12 E N 0.918 121.102 120.200 -0.027 0.000 2.110 12 E HA -0.136 4.215 4.350 0.000 0.000 0.193 12 E C 0.265 176.870 176.600 0.008 0.000 0.988 12 E CA 1.128 57.520 56.400 -0.013 0.000 0.804 12 E CB 0.021 29.709 29.700 -0.020 0.000 0.745 12 E HN 0.274 nan 8.360 nan 0.000 0.458 19 D N 1.392 121.731 120.400 -0.102 0.000 2.144 19 D HA -0.100 4.541 4.640 0.000 0.000 0.199 19 D C 2.112 178.406 176.300 -0.010 0.000 0.984 19 D CA 1.847 55.814 54.000 -0.054 0.000 0.834 19 D CB -0.179 40.687 40.800 0.110 0.000 0.955 19 D HN 0.375 nan 8.370 nan 0.000 0.465 20 L N 0.120 121.313 121.223 -0.051 0.000 2.095 20 L HA -0.051 4.289 4.340 0.000 0.000 0.204 20 L C 2.114 178.918 176.870 -0.111 0.000 1.080 20 L CA 1.122 55.834 54.840 -0.213 0.000 0.759 20 L CB -0.369 41.468 42.059 -0.370 0.000 0.914 20 L HN -0.160 nan 8.230 nan 0.000 0.439 21 V N -0.050 119.770 119.914 -0.157 0.000 2.295 21 V HA -0.292 3.828 4.120 0.000 0.000 0.246 21 V C 2.555 178.605 176.094 -0.072 0.000 1.049 21 V CA 2.217 64.453 62.300 -0.107 0.000 1.024 21 V CB -0.433 31.112 31.823 -0.463 0.000 0.648 21 V HN 0.417 nan 8.190 nan 0.000 0.447 22 I N -1.140 119.231 120.570 -0.331 0.000 2.208 22 I HA -0.316 3.855 4.170 0.000 0.000 0.245 22 I C 2.378 178.476 176.117 -0.032 0.000 1.097 22 I CA 2.108 63.248 61.300 -0.267 0.000 1.363 22 I CB -0.322 37.381 38.000 -0.496 0.000 1.051 22 I HN 0.389 nan 8.210 nan 0.000 0.413 23 Y N 1.218 121.487 120.300 -0.051 0.000 2.145 23 Y HA -0.270 4.280 4.550 0.000 0.000 0.286 23 Y C 2.481 178.391 175.900 0.016 0.000 1.145 23 Y CA 1.751 59.869 58.100 0.029 0.000 1.148 23 Y CB -0.202 38.355 38.460 0.163 0.000 0.981 23 Y HN 0.121 nan 8.280 nan 0.000 0.507 24 A N -0.907 122.045 122.820 0.221 0.000 1.929 24 A HA -0.085 4.235 4.320 0.000 0.000 0.216 24 A C 1.553 179.026 177.584 -0.186 0.000 1.176 24 A CA 1.354 53.417 52.037 0.044 0.000 0.628 24 A CB -0.999 18.016 19.000 0.025 0.000 0.816 24 A HN 0.504 nan 8.150 nan 0.000 0.444 25 F N -1.034 118.902 119.950 -0.022 0.000 2.695 25 F HA 0.243 4.771 4.527 0.001 0.000 0.303 25 F C 0.700 176.472 175.800 -0.046 0.000 1.091 25 F CA -0.155 57.844 58.000 -0.002 0.000 1.300 25 F CB -0.369 38.688 39.000 0.094 0.000 1.071 25 F HN 0.275 nan 8.300 nan 0.000 0.578 26 N N 2.170 120.879 118.700 0.014 0.000 2.641 26 N HA -0.239 4.501 4.740 0.000 0.000 0.267 26 N C -0.776 174.731 175.510 -0.005 0.000 1.087 26 N CA 0.413 53.425 53.050 -0.063 0.000 0.731 26 N CB -0.671 37.754 38.487 -0.104 0.000 0.886 26 N HN 0.467 nan 8.380 nan 0.000 0.547 27 Q N 0.615 120.410 119.800 -0.007 0.000 2.342 27 Q HA 0.328 4.668 4.340 0.000 0.000 0.267 27 Q C -0.456 175.527 176.000 -0.028 0.000 1.038 27 Q CA -0.953 54.850 55.803 0.000 0.000 0.832 27 Q CB 1.244 29.987 28.738 0.008 0.000 1.323 27 Q HN 0.414 nan 8.270 nan 0.000 0.448 28 E N 3.114 123.313 120.200 -0.001 0.000 2.376 28 E HA 0.067 4.417 4.350 0.000 0.000 0.266 28 E C -2.077 174.541 176.600 0.030 0.000 1.009 28 E CA -1.583 54.822 56.400 0.008 0.000 0.902 28 E CB 0.087 29.799 29.700 0.019 0.000 0.972 28 E HN 0.235 nan 8.360 nan 0.000 0.439 29 P HA -0.039 nan 4.420 nan 0.000 0.226 29 P C -0.295 177.108 177.300 0.170 0.000 1.783 29 P CA -0.143 63.050 63.100 0.155 0.000 0.980 29 P CB -0.536 31.255 31.700 0.152 0.000 1.967 30 T N -2.153 112.480 114.554 0.131 0.000 2.813 30 T HA 0.358 4.708 4.350 0.000 0.000 0.297 30 T C 1.606 176.357 174.700 0.085 0.000 1.036 30 T CA -0.000 62.152 62.100 0.087 0.000 1.044 30 T CB 0.946 69.849 68.868 0.059 0.000 0.993 30 T HN 0.093 nan 8.240 nan 0.000 0.535 31 A N 0.433 123.280 122.820 0.047 0.000 1.908 31 A HA -0.100 4.220 4.320 0.000 0.000 0.218 31 A C 2.317 179.917 177.584 0.026 0.000 1.181 31 A CA 2.017 54.068 52.037 0.024 0.000 0.627 31 A CB -1.253 17.756 19.000 0.014 0.000 0.818 31 A HN 1.075 nan 8.150 nan 0.000 0.445 32 E N -0.502 119.716 120.200 0.031 0.000 2.085 32 E HA -0.253 4.097 4.350 0.000 0.000 0.194 32 E C 2.252 178.888 176.600 0.060 0.000 0.994 32 E CA 1.407 57.824 56.400 0.029 0.000 0.801 32 E CB -0.164 29.542 29.700 0.010 0.000 0.743 32 E HN 0.593 nan 8.360 nan 0.000 0.453 33 R N -0.083 120.476 120.500 0.099 0.000 2.093 33 R HA -0.071 4.269 4.340 0.000 0.000 0.224 33 R C 2.461 178.885 176.300 0.207 0.000 1.101 33 R CA 1.363 57.571 56.100 0.179 0.000 0.979 33 R CB -0.026 30.403 30.300 0.216 0.000 0.877 33 R HN 0.249 nan 8.270 nan 0.000 0.441 34 Q N 0.250 120.068 119.800 0.030 0.000 2.297 34 Q HA -0.135 4.205 4.340 0.000 0.000 0.204 34 Q C 1.273 177.219 176.000 -0.089 0.000 0.962 34 Q CA 1.265 56.856 55.803 -0.354 0.000 0.879 34 Q CB 0.313 28.612 28.738 -0.732 0.000 0.947 34 Q HN 0.338 nan 8.270 nan 0.000 0.462 35 E N -0.199 120.001 120.200 0.001 0.000 2.072 35 E HA -0.138 4.212 4.350 0.000 0.000 0.191 35 E C 1.999 178.670 176.600 0.118 0.000 0.985 35 E CA 0.832 57.256 56.400 0.040 0.000 0.801 35 E CB 0.134 29.854 29.700 0.033 0.000 0.750 35 E HN 0.234 nan 8.360 nan 0.000 0.452 36 R N -0.397 120.204 120.500 0.169 0.000 2.092 36 R HA -0.116 4.224 4.340 0.000 0.000 0.231 36 R C 2.162 178.710 176.300 0.412 0.000 1.119 36 R CA 1.096 57.375 56.100 0.298 0.000 0.970 36 R CB -0.264 30.160 30.300 0.207 0.000 0.864 36 R HN 0.176 nan 8.270 nan 0.000 0.440 37 F N 1.754 121.813 119.950 0.183 0.000 2.146 37 F HA -0.166 4.362 4.527 0.000 0.000 0.298 37 F C 2.265 178.112 175.800 0.079 0.000 1.096 37 F CA 1.637 59.730 58.000 0.156 0.000 1.275 37 F CB -0.080 38.986 39.000 0.111 0.000 1.008 37 F HN -0.023 nan 8.300 nan 0.000 0.480 38 E N -0.126 120.118 120.200 0.073 0.000 2.150 38 E HA -0.204 4.146 4.350 0.000 0.000 0.193 38 E C 2.181 178.751 176.600 -0.051 0.000 0.985 38 E CA 0.744 57.117 56.400 -0.044 0.000 0.814 38 E CB -0.035 29.656 29.700 -0.015 0.000 0.752 38 E HN 0.073 nan 8.360 nan 0.000 0.466 39 K N 0.618 121.056 120.400 0.064 0.000 2.057 39 K HA -0.125 4.195 4.320 0.000 0.000 0.206 39 K C 2.165 178.783 176.600 0.030 0.000 1.050 39 K CA 0.640 56.989 56.287 0.102 0.000 0.935 39 K CB -0.445 32.235 32.500 0.300 0.000 0.715 39 K HN 0.214 nan 8.250 nan 0.000 0.439 40 L N 1.284 122.526 121.223 0.031 0.000 2.083 40 L HA -0.090 4.250 4.340 0.000 0.000 0.209 40 L C 2.081 178.835 176.870 -0.194 0.000 1.083 40 L CA 1.330 56.135 54.840 -0.058 0.000 0.752 40 L CB -0.334 41.754 42.059 0.048 0.000 0.899 40 L HN 0.107 nan 8.230 nan 0.000 0.433 41 L N -1.151 119.887 121.223 -0.308 0.000 2.191 41 L HA -0.167 4.173 4.340 0.000 0.000 0.212 41 L C 2.252 178.932 176.870 -0.317 0.000 1.103 41 L CA 1.135 55.776 54.840 -0.331 0.000 0.769 41 L CB -0.500 41.345 42.059 -0.356 0.000 0.908 41 L HN 0.267 nan 8.230 nan 0.000 0.438 42 S N -1.753 113.716 115.700 -0.383 0.000 2.515 42 S HA -0.065 4.405 4.470 0.000 0.000 0.231 42 S C 1.130 175.199 174.600 -0.885 0.000 0.987 42 S CA 0.625 58.471 58.200 -0.589 0.000 0.936 42 S CB -0.170 62.635 63.200 -0.659 0.000 0.766 42 S HN 0.494 nan 8.310 nan 0.000 0.528 43 H N 0.163 118.932 119.070 -0.502 0.000 2.767 43 H HA 0.320 4.876 4.556 0.000 0.000 0.260 43 H C -0.388 174.726 175.328 -0.358 0.000 1.172 43 H CA 0.021 55.735 56.048 -0.556 0.000 1.048 43 H CB 0.574 29.696 29.762 -1.066 0.000 1.697 43 H HN 0.160 nan 8.280 nan 0.000 0.606 44 T N 0.904 115.338 114.554 -0.201 0.000 2.900 44 T HA 0.193 4.544 4.350 0.000 0.000 0.295 44 T C -0.403 174.214 174.700 -0.138 0.000 1.044 44 T CA -0.701 61.314 62.100 -0.141 0.000 0.995 44 T CB 3.042 71.859 68.868 -0.086 0.000 1.072 44 T HN 0.025 nan 8.240 nan 0.000 0.473 45 Q N 1.744 121.487 119.800 -0.095 0.000 2.331 45 Q HA 0.514 4.855 4.340 0.000 0.000 0.257 45 Q C -0.315 175.638 176.000 -0.080 0.000 0.957 45 Q CA -0.175 55.544 55.803 -0.141 0.000 0.923 45 Q CB 1.024 29.671 28.738 -0.152 0.000 1.212 45 Q HN 0.638 nan 8.270 nan 0.000 0.443 46 S N 4.072 119.699 115.700 -0.122 0.000 2.562 46 S HA 0.513 4.983 4.470 0.000 0.000 0.275 46 S C -1.304 173.227 174.600 -0.114 0.000 1.281 46 S CA -0.315 57.885 58.200 -0.001 0.000 1.045 46 S CB 0.251 63.461 63.200 0.017 0.000 0.962 46 S HN 0.517 nan 8.310 nan 0.000 0.503 47 Y N 2.020 122.355 120.300 0.058 0.000 2.328 47 Y HA 0.586 5.137 4.550 0.001 0.000 0.336 47 Y C 0.844 176.798 175.900 0.089 0.000 0.960 47 Y CA -0.706 57.434 58.100 0.066 0.000 1.134 47 Y CB 1.712 40.213 38.460 0.069 0.000 1.166 47 Y HN 0.801 nan 8.280 nan 0.000 0.464 48 G N 1.912 110.830 108.800 0.197 0.000 2.441 48 G HA2 0.513 4.473 3.960 0.000 0.000 0.334 48 G HA3 0.513 4.473 3.960 0.000 0.000 0.334 48 G C -2.042 172.993 174.900 0.225 0.000 1.161 48 G CA -0.562 44.642 45.100 0.173 0.000 0.935 48 G HN 0.412 nan 8.290 nan 0.000 0.488 49 F N 1.286 121.260 119.950 0.040 0.000 2.426 49 F HA 0.628 5.156 4.527 0.001 0.000 0.348 49 F C -0.443 175.343 175.800 -0.023 0.000 1.124 49 F CA -1.248 56.764 58.000 0.019 0.000 1.008 49 F CB 1.300 40.311 39.000 0.018 0.000 1.139 49 F HN 0.149 nan 8.300 nan 0.000 0.452 50 L N 7.643 128.571 121.223 -0.491 0.000 2.322 50 L HA 0.526 4.867 4.340 0.000 0.000 0.281 50 L C -0.734 175.811 176.870 -0.542 0.000 1.014 50 L CA -0.762 53.853 54.840 -0.375 0.000 0.815 50 L CB 1.871 43.800 42.059 -0.217 0.000 1.247 50 L HN 0.519 nan 8.230 nan 0.000 0.421 51 I N 3.184 123.530 120.570 -0.373 0.000 2.355 51 I HA 0.210 4.380 4.170 0.000 0.000 0.288 51 I C -0.235 175.809 176.117 -0.123 0.000 0.999 51 I CA -0.413 60.735 61.300 -0.253 0.000 1.163 51 I CB 1.366 39.265 38.000 -0.167 0.000 1.316 51 I HN 0.624 nan 8.210 nan 0.000 0.454 52 D N 5.839 126.189 120.400 -0.084 0.000 2.701 52 D HA -0.197 4.443 4.640 0.000 0.000 0.235 52 D C 0.466 176.735 176.300 -0.052 0.000 1.155 52 D CA 0.998 54.971 54.000 -0.045 0.000 0.649 52 D CB -0.440 40.358 40.800 -0.003 0.000 1.050 52 D HN 0.696 nan 8.370 nan 0.000 0.425 53 E N -2.530 117.620 120.200 -0.083 0.000 3.370 53 E HA -0.237 4.113 4.350 0.000 0.000 0.291 53 E C 0.048 176.615 176.600 -0.053 0.000 0.916 53 E CA 0.980 57.339 56.400 -0.068 0.000 0.981 53 E CB -0.977 28.699 29.700 -0.040 0.000 1.498 53 E HN 0.588 nan 8.360 nan 0.000 0.452 54 Q N 0.366 120.128 119.800 -0.063 0.000 2.267 54 Q HA 0.368 4.708 4.340 0.000 0.000 0.255 54 Q C 0.447 176.406 176.000 -0.069 0.000 0.923 54 Q CA -0.714 55.066 55.803 -0.038 0.000 0.925 54 Q CB 1.166 29.894 28.738 -0.015 0.000 1.195 54 Q HN 0.136 nan 8.270 nan 0.000 0.417 55 L N 3.391 124.613 121.223 -0.001 0.000 2.500 55 L HA -0.003 4.338 4.340 0.000 0.000 0.272 55 L C 0.956 177.848 176.870 0.036 0.000 1.149 55 L CA 1.015 55.864 54.840 0.015 0.000 0.897 55 L CB 0.334 42.428 42.059 0.059 0.000 1.178 55 L HN 0.828 nan 8.230 nan 0.000 0.473 56 T N -0.994 113.528 114.554 -0.053 0.000 2.964 56 T HA 0.350 4.700 4.350 0.000 0.000 0.249 56 T C 0.643 175.339 174.700 -0.007 0.000 1.000 56 T CA 0.223 62.262 62.100 -0.102 0.000 0.992 56 T CB 0.145 68.618 68.868 -0.658 0.000 1.087 56 T HN 0.485 nan 8.240 nan 0.000 0.489 57 S N 0.512 116.253 115.700 0.068 0.000 2.618 57 S HA 0.726 5.196 4.470 0.000 0.000 0.277 57 S C -1.798 172.864 174.600 0.104 0.000 1.138 57 S CA -0.848 57.396 58.200 0.074 0.000 0.844 57 S CB 2.645 65.911 63.200 0.111 0.000 1.127 57 S HN 0.475 nan 8.310 nan 0.000 0.474 58 Q N 1.242 121.110 119.800 0.113 0.000 2.386 58 Q HA 0.646 4.986 4.340 0.000 0.000 0.274 58 Q C -2.118 173.999 176.000 0.196 0.000 1.011 58 Q CA -0.437 55.460 55.803 0.158 0.000 0.867 58 Q CB 1.806 30.628 28.738 0.140 0.000 1.409 58 Q HN 0.564 nan 8.270 nan 0.000 0.395 62 T N 5.689 120.179 114.554 -0.106 0.000 2.743 62 T HA 0.586 4.936 4.350 0.000 0.000 0.293 62 T C -2.542 171.879 174.700 -0.464 0.000 0.945 62 T CA -0.948 60.961 62.100 -0.319 0.000 1.030 62 T CB 1.001 69.589 68.868 -0.466 0.000 0.912 62 T HN 0.499 nan 8.240 nan 0.000 0.483 63 P HA 0.295 nan 4.420 nan 0.000 0.271 63 P C -1.050 175.903 177.300 -0.579 0.000 1.233 63 P CA -0.093 62.806 63.100 -0.335 0.000 0.764 63 P CB 0.174 31.757 31.700 -0.196 0.000 0.825 64 F N 0.597 120.420 119.950 -0.212 0.000 2.654 64 F HA 0.463 4.990 4.527 0.000 0.000 0.334 64 F C 0.884 176.614 175.800 -0.117 0.000 1.078 64 F CA -0.850 57.018 58.000 -0.219 0.000 0.986 64 F CB 1.691 40.478 39.000 -0.354 0.000 1.362 64 F HN 0.156 nan 8.300 nan 0.000 0.498 65 Q N 1.084 120.972 119.800 0.148 0.000 2.345 65 Q HA 0.688 5.029 4.340 0.000 0.000 0.268 65 Q C -1.226 174.853 176.000 0.133 0.000 1.054 65 Q CA -1.105 54.769 55.803 0.117 0.000 0.835 65 Q CB 2.990 31.786 28.738 0.096 0.000 1.339 65 Q HN 0.554 nan 8.270 nan 0.000 0.447 66 V N -0.650 119.357 119.914 0.155 0.000 2.960 66 V HA 0.613 4.733 4.120 0.000 0.000 0.315 66 V C -0.807 175.418 176.094 0.218 0.000 1.087 66 V CA -0.991 61.432 62.300 0.205 0.000 0.982 66 V CB 2.019 34.002 31.823 0.267 0.000 1.039 66 V HN 0.727 nan 8.190 nan 0.000 0.437 67 N N 2.226 121.048 118.700 0.203 0.000 2.501 67 N HA 0.354 5.095 4.740 0.000 0.000 0.245 67 N C -1.545 174.067 175.510 0.170 0.000 0.974 67 N CA -0.640 52.483 53.050 0.122 0.000 0.941 67 N CB 0.920 39.436 38.487 0.048 0.000 1.122 67 N HN 0.812 nan 8.380 nan 0.000 0.507 68 F N 5.408 125.385 119.950 0.045 0.000 2.291 68 F HA 0.318 4.846 4.527 0.000 0.000 0.368 68 F C 0.249 176.053 175.800 0.006 0.000 1.085 68 F CA -0.333 57.717 58.000 0.083 0.000 1.165 68 F CB -0.256 38.959 39.000 0.358 0.000 1.429 68 F HN 0.571 nan 8.300 nan 0.000 0.503 69 H N 3.350 122.237 119.070 -0.305 0.000 2.692 69 H HA -0.196 4.361 4.556 0.000 0.000 0.316 69 H C 1.424 176.620 175.328 -0.220 0.000 1.176 69 H CA 0.973 56.835 56.048 -0.309 0.000 1.142 69 H CB -1.322 28.143 29.762 -0.495 0.000 1.475 69 H HN 1.073 nan 8.280 nan 0.000 0.423 70 G N -1.553 107.156 108.800 -0.152 0.000 2.176 70 G HA2 -0.283 3.677 3.960 0.000 0.000 0.232 70 G HA3 -0.283 3.677 3.960 0.000 0.000 0.232 70 G C 0.184 174.996 174.900 -0.148 0.000 0.986 70 G CA 0.100 45.102 45.100 -0.165 0.000 0.643 70 G HN 0.467 nan 8.290 nan 0.000 0.522 71 V N 1.883 121.710 119.914 -0.146 0.000 2.398 71 V HA 0.519 4.640 4.120 0.000 0.000 0.286 71 V C 0.763 176.691 176.094 -0.275 0.000 1.026 71 V CA -0.842 61.297 62.300 -0.268 0.000 0.868 71 V CB 1.462 33.027 31.823 -0.431 0.000 0.982 71 V HN 0.344 nan 8.190 nan 0.000 0.443 72 R N 4.115 124.474 120.500 -0.235 0.000 2.298 72 R HA 0.475 4.815 4.340 0.000 0.000 0.310 72 R C -1.342 174.861 176.300 -0.162 0.000 1.068 72 R CA -0.124 55.905 56.100 -0.118 0.000 0.957 72 R CB 0.728 30.995 30.300 -0.055 0.000 1.003 72 R HN 0.638 nan 8.270 nan 0.000 0.454 73 Y N 3.576 123.914 120.300 0.063 0.000 2.409 73 Y HA 0.312 4.862 4.550 0.001 0.000 0.343 73 Y C -1.682 174.236 175.900 0.031 0.000 0.973 73 Y CA -2.516 55.616 58.100 0.053 0.000 1.064 73 Y CB 1.987 40.499 38.460 0.086 0.000 1.207 73 Y HN 0.492 nan 8.280 nan 0.000 0.452 77 G N 1.736 110.500 108.800 -0.060 0.000 2.358 77 G HA2 0.520 4.481 3.960 0.000 0.000 0.273 77 G HA3 0.520 4.481 3.960 0.000 0.000 0.273 77 G C -0.166 174.706 174.900 -0.046 0.000 1.215 77 G CA -0.160 44.760 45.100 -0.300 0.000 0.910 77 G HN 0.714 nan 8.290 nan 0.000 0.467 78 I N 2.145 122.791 120.570 0.127 0.000 2.353 78 I HA 0.616 4.786 4.170 0.000 0.000 0.293 78 I C 0.833 177.021 176.117 0.118 0.000 0.992 78 I CA -0.114 61.240 61.300 0.090 0.000 1.268 78 I CB 1.877 39.886 38.000 0.014 0.000 1.387 78 I HN 0.591 nan 8.210 nan 0.000 0.478 79 G N 2.998 111.873 108.800 0.125 0.000 2.682 79 G HA2 0.453 4.413 3.960 0.000 0.000 0.290 79 G HA3 0.453 4.413 3.960 0.000 0.000 0.290 79 G C -1.170 173.850 174.900 0.200 0.000 1.425 79 G CA -0.546 44.607 45.100 0.087 0.000 0.807 79 G HN 0.436 nan 8.290 nan 0.000 0.482 80 Y N -2.015 118.395 120.300 0.184 0.000 3.108 80 Y HA -0.207 4.343 4.550 0.000 0.000 0.208 80 Y C 1.158 177.264 175.900 0.344 0.000 1.245 80 Y CA 0.007 58.221 58.100 0.190 0.000 1.171 80 Y CB -2.106 36.421 38.460 0.112 0.000 1.331 80 Y HN 0.338 nan 8.280 nan 0.000 0.534 81 V N 0.469 120.678 119.914 0.492 0.000 2.450 81 V HA 0.482 4.602 4.120 0.000 0.000 0.281 81 V C 0.693 176.971 176.094 0.306 0.000 1.019 81 V CA 0.416 62.938 62.300 0.369 0.000 1.062 81 V CB 0.775 32.837 31.823 0.398 0.000 0.979 81 V HN 0.512 nan 8.190 nan 0.000 0.477 82 A N 4.566 127.512 122.820 0.211 0.000 2.488 82 A HA 0.835 5.155 4.320 0.000 0.000 0.298 82 A C -0.506 177.081 177.584 0.006 0.000 1.044 82 A CA -0.468 51.635 52.037 0.110 0.000 0.693 82 A CB 2.026 21.149 19.000 0.205 0.000 1.272 82 A HN 0.650 nan 8.150 nan 0.000 0.402 83 S N 0.243 115.914 115.700 -0.048 0.000 2.569 83 S HA 0.675 5.145 4.470 0.000 0.000 0.280 83 S C -1.378 173.207 174.600 -0.026 0.000 1.111 83 S CA -0.373 57.808 58.200 -0.032 0.000 0.887 83 S CB 0.801 64.034 63.200 0.055 0.000 1.095 83 S HN 0.496 nan 8.310 nan 0.000 0.476 84 Y N 3.047 123.409 120.300 0.105 0.000 2.346 84 Y HA 0.247 4.797 4.550 0.000 0.000 0.330 84 Y C -1.156 174.807 175.900 0.105 0.000 1.178 84 Y CA -1.675 56.458 58.100 0.054 0.000 1.331 84 Y CB 0.238 38.773 38.460 0.125 0.000 1.253 84 Y HN 0.465 nan 8.280 nan 0.000 0.529 85 P HA -0.144 nan 4.420 nan 0.000 0.217 85 P C 0.275 177.596 177.300 0.034 0.000 1.151 85 P CA 1.430 64.600 63.100 0.116 0.000 0.828 85 P CB 0.343 32.114 31.700 0.120 0.000 0.788 86 E N -1.253 118.892 120.200 -0.092 0.000 2.515 86 E HA -0.123 4.227 4.350 0.000 0.000 0.201 86 E C 0.707 177.055 176.600 -0.419 0.000 1.071 86 E CA 0.805 57.026 56.400 -0.297 0.000 0.880 86 E CB -1.038 28.357 29.700 -0.510 0.000 0.828 86 E HN 0.508 nan 8.360 nan 0.000 0.540 87 Y N 0.497 120.845 120.300 0.081 0.000 2.584 87 Y HA 0.215 4.765 4.550 0.001 0.000 0.254 87 Y C -0.013 175.943 175.900 0.093 0.000 1.177 87 Y CA -1.003 57.158 58.100 0.102 0.000 1.216 87 Y CB 0.152 38.701 38.460 0.149 0.000 1.172 87 Y HN -0.100 nan 8.280 nan 0.000 0.529 88 R N 0.046 120.643 120.500 0.161 0.000 2.587 88 R HA 0.203 4.543 4.340 0.000 0.000 0.268 88 R C 1.354 177.725 176.300 0.117 0.000 0.978 88 R CA 1.042 57.215 56.100 0.122 0.000 1.097 88 R CB -0.304 30.043 30.300 0.078 0.000 0.917 88 R HN 0.395 nan 8.270 nan 0.000 0.414 89 G N 0.936 109.801 108.800 0.109 0.000 2.184 89 G HA2 -0.284 3.676 3.960 0.000 0.000 0.264 89 G HA3 -0.284 3.676 3.960 0.000 0.000 0.264 89 G C 0.531 175.496 174.900 0.108 0.000 0.975 89 G CA 0.374 45.530 45.100 0.094 0.000 0.642 89 G HN 0.706 nan 8.290 nan 0.000 0.536 90 E N 0.195 120.478 120.200 0.138 0.000 2.479 90 E HA 0.302 4.652 4.350 0.000 0.000 0.193 90 E C 1.756 178.393 176.600 0.063 0.000 1.049 90 E CA 0.595 57.093 56.400 0.163 0.000 0.870 90 E CB 0.003 29.876 29.700 0.289 0.000 0.944 90 E HN 1.513 nan 8.360 nan 0.000 0.492 91 G N 1.445 110.243 108.800 -0.003 0.000 2.221 91 G HA2 -0.309 3.651 3.960 0.000 0.000 0.265 91 G HA3 -0.309 3.651 3.960 0.000 0.000 0.265 91 G C 0.947 175.625 174.900 -0.370 0.000 1.041 91 G CA 0.364 45.412 45.100 -0.087 0.000 0.807 91 G HN 0.462 nan 8.290 nan 0.000 0.502 92 G N -0.012 108.496 108.800 -0.488 0.000 2.404 92 G HA2 0.058 4.019 3.960 0.000 0.000 0.214 92 G HA3 0.058 4.019 3.960 0.000 0.000 0.214 92 G C 1.718 176.320 174.900 -0.496 0.000 1.189 92 G CA 1.113 45.609 45.100 -1.007 0.000 0.789 92 G HN 0.591 nan 8.290 nan 0.000 0.533 93 I N 1.058 121.530 120.570 -0.163 0.000 2.394 93 I HA -0.118 4.053 4.170 0.000 0.000 0.251 93 I C 2.949 178.973 176.117 -0.155 0.000 1.136 93 I CA 0.761 62.019 61.300 -0.069 0.000 1.425 93 I CB 0.043 38.111 38.000 0.114 0.000 1.079 93 I HN 0.074 nan 8.210 nan 0.000 0.425 94 S N 0.548 116.209 115.700 -0.065 0.000 2.368 94 S HA -0.140 4.331 4.470 0.000 0.000 0.224 94 S C 2.254 176.895 174.600 0.069 0.000 1.029 94 S CA 1.296 59.538 58.200 0.070 0.000 0.988 94 S CB -0.298 63.038 63.200 0.225 0.000 0.838 94 S HN 0.543 nan 8.310 nan 0.000 0.462 95 A N 1.010 123.793 122.820 -0.062 0.000 1.930 95 A HA 0.095 4.416 4.320 0.000 0.000 0.217 95 A C 1.154 178.755 177.584 0.029 0.000 1.175 95 A CA 0.700 52.727 52.037 -0.016 0.000 0.627 95 A CB -0.515 18.416 19.000 -0.116 0.000 0.815 95 A HN 0.427 nan 8.150 nan 0.000 0.443 102 A N 0.194 123.086 122.820 0.120 0.000 1.978 102 A HA -0.255 4.065 4.320 0.000 0.000 0.220 102 A C 1.650 179.077 177.584 -0.261 0.000 1.170 102 A CA 2.556 54.479 52.037 -0.190 0.000 0.636 102 A CB -0.450 18.576 19.000 0.043 0.000 0.810 102 A HN 0.486 nan 8.150 nan 0.000 0.448 103 D N -0.462 119.874 120.400 -0.106 0.000 2.103 103 D HA -0.033 4.607 4.640 0.000 0.000 0.199 103 D C 1.882 178.134 176.300 -0.079 0.000 0.978 103 D CA 0.959 54.931 54.000 -0.047 0.000 0.829 103 D CB -0.118 40.739 40.800 0.095 0.000 0.981 103 D HN 0.401 nan 8.370 nan 0.000 0.464 104 L N 0.040 121.215 121.223 -0.080 0.000 2.093 104 L HA -0.041 4.299 4.340 0.000 0.000 0.208 104 L C 2.526 179.309 176.870 -0.145 0.000 1.085 104 L CA 0.995 55.794 54.840 -0.068 0.000 0.755 104 L CB -0.476 41.566 42.059 -0.030 0.000 0.904 104 L HN 0.030 nan 8.230 nan 0.000 0.435 105 A N 0.067 122.710 122.820 -0.296 0.000 1.877 105 A HA -0.253 4.067 4.320 0.000 0.000 0.216 105 A C 2.414 179.759 177.584 -0.399 0.000 1.186 105 A CA 1.852 53.591 52.037 -0.497 0.000 0.620 105 A CB -0.452 17.713 19.000 -1.391 0.000 0.822 105 A HN 0.287 nan 8.150 nan 0.000 0.443 106 K N -0.532 119.654 120.400 -0.356 0.000 2.211 106 K HA -0.122 4.198 4.320 0.000 0.000 0.203 106 K C 1.689 178.211 176.600 -0.131 0.000 1.050 106 K CA 1.359 57.512 56.287 -0.223 0.000 0.945 106 K CB -0.105 32.290 32.500 -0.175 0.000 0.732 106 K HN 0.639 nan 8.250 nan 0.000 0.451 107 Q N 0.186 119.922 119.800 -0.107 0.000 2.403 107 Q HA 0.041 4.381 4.340 0.000 0.000 0.203 107 Q C -0.476 175.491 176.000 -0.053 0.000 0.932 107 Q CA 0.069 55.834 55.803 -0.062 0.000 0.945 107 Q CB 0.566 29.279 28.738 -0.040 0.000 1.045 107 Q HN 0.054 nan 8.270 nan 0.000 0.511 108 K N -0.669 119.686 120.400 -0.074 0.000 3.117 108 K HA -0.139 4.181 4.320 0.000 0.000 0.269 108 K C -0.875 175.717 176.600 -0.014 0.000 1.098 108 K CA 0.283 56.545 56.287 -0.041 0.000 0.785 108 K CB -2.622 29.869 32.500 -0.014 0.000 1.242 108 K HN 0.100 nan 8.250 nan 0.000 0.491 109 V N 0.735 120.630 119.914 -0.031 0.000 2.529 109 V HA 0.107 4.227 4.120 0.000 0.000 0.292 109 V C 1.979 178.060 176.094 -0.022 0.000 1.028 109 V CA 0.875 63.165 62.300 -0.018 0.000 1.074 109 V CB 1.314 33.120 31.823 -0.030 0.000 0.958 109 V HN 0.501 nan 8.190 nan 0.000 0.481 110 A N 5.813 128.621 122.820 -0.020 0.000 1.935 110 A HA 0.325 4.645 4.320 0.000 0.000 0.214 110 A C 0.683 178.136 177.584 -0.219 0.000 1.178 110 A CA 0.863 52.846 52.037 -0.090 0.000 0.640 110 A CB 0.044 18.966 19.000 -0.130 0.000 0.825 110 A HN 0.628 nan 8.150 nan 0.000 0.447 111 L N -1.633 119.471 121.223 -0.198 0.000 2.424 111 L HA 0.574 4.914 4.340 0.000 0.000 0.258 111 L C -0.659 176.103 176.870 -0.179 0.000 0.995 111 L CA -0.552 54.144 54.840 -0.239 0.000 0.821 111 L CB 2.396 44.293 42.059 -0.270 0.000 1.383 111 L HN 0.060 nan 8.230 nan 0.000 0.410 112 S N 0.197 115.838 115.700 -0.098 0.000 2.547 112 S HA 0.744 5.214 4.470 0.000 0.000 0.281 112 S C -1.632 173.168 174.600 0.333 0.000 1.118 112 S CA -0.413 57.812 58.200 0.041 0.000 0.947 112 S CB 0.902 64.205 63.200 0.171 0.000 1.053 112 S HN 0.321 nan 8.310 nan 0.000 0.482 113 Y N 3.253 123.707 120.300 0.257 0.000 2.509 113 Y HA 0.812 5.362 4.550 0.000 0.000 0.341 113 Y C -0.120 175.883 175.900 0.171 0.000 1.038 113 Y CA -1.649 56.598 58.100 0.246 0.000 1.089 113 Y CB 1.498 40.072 38.460 0.191 0.000 1.241 113 Y HN 0.698 nan 8.280 nan 0.000 0.468 114 L N -0.499 120.776 121.223 0.087 0.000 2.582 114 L HA 0.976 5.316 4.340 0.000 0.000 0.257 114 L C -1.070 175.555 176.870 -0.408 0.000 0.974 114 L CA -1.799 52.915 54.840 -0.211 0.000 0.851 114 L CB 1.466 43.221 42.059 -0.506 0.000 1.424 114 L HN 0.565 nan 8.230 nan 0.000 0.412 115 A N 2.402 124.951 122.820 -0.452 0.000 2.316 115 A HA 0.815 5.135 4.320 0.000 0.000 0.311 115 A C -2.300 175.098 177.584 -0.310 0.000 1.339 115 A CA -1.147 50.654 52.037 -0.393 0.000 0.960 115 A CB -0.496 18.292 19.000 -0.352 0.000 1.152 115 A HN 0.654 nan 8.150 nan 0.000 0.547 116 P HA 0.213 nan 4.420 nan 0.000 0.286 116 P C 0.286 177.525 177.300 -0.102 0.000 1.269 116 P CA -0.428 62.469 63.100 -0.339 0.000 0.787 116 P CB 0.664 31.959 31.700 -0.674 0.000 0.920 117 F N 0.949 120.943 119.950 0.073 0.000 2.407 117 F HA 0.152 4.679 4.527 0.000 0.000 0.299 117 F C 0.603 176.412 175.800 0.016 0.000 1.097 117 F CA 0.017 58.033 58.000 0.027 0.000 1.422 117 F CB -0.157 38.831 39.000 -0.020 0.000 1.067 117 F HN 0.279 nan 8.300 nan 0.000 0.539 118 S N -1.193 113.946 115.700 -0.935 0.000 2.668 118 S HA 0.318 4.789 4.470 0.000 0.000 0.277 118 S C -0.170 174.237 174.600 -0.322 0.000 1.170 118 S CA -0.773 57.065 58.200 -0.603 0.000 0.994 118 S CB 0.297 62.996 63.200 -0.836 0.000 1.051 118 S HN 0.220 nan 8.310 nan 0.000 0.484 119 Y N 3.799 124.063 120.300 -0.061 0.000 2.133 119 Y HA 0.097 4.647 4.550 0.000 0.000 0.287 119 Y C -0.711 175.202 175.900 0.022 0.000 1.134 119 Y CA 1.885 59.998 58.100 0.021 0.000 1.133 119 Y CB -1.422 37.044 38.460 0.011 0.000 0.987 119 Y HN 0.529 nan 8.280 nan 0.000 0.502 120 P HA -0.209 nan 4.420 nan 0.000 0.218 120 P C 1.479 178.754 177.300 -0.042 0.000 1.148 120 P CA 1.452 64.570 63.100 0.031 0.000 0.822 120 P CB -0.277 31.436 31.700 0.022 0.000 0.784 121 F N -0.774 119.024 119.950 -0.252 0.000 2.069 121 F HA -0.227 4.300 4.527 0.000 0.000 0.298 121 F C 1.988 177.551 175.800 -0.395 0.000 1.113 121 F CA 1.704 59.477 58.000 -0.379 0.000 1.214 121 F CB -0.761 37.873 39.000 -0.610 0.000 0.978 121 F HN -0.129 nan 8.300 nan 0.000 0.474 122 Y N -0.538 119.768 120.300 0.009 0.000 2.475 122 Y HA 0.022 4.572 4.550 0.001 0.000 0.289 122 Y C 2.507 178.408 175.900 0.003 0.000 1.121 122 Y CA 0.843 58.960 58.100 0.028 0.000 1.257 122 Y CB -0.496 37.950 38.460 -0.023 0.000 1.026 122 Y HN -0.036 nan 8.280 nan 0.000 0.555 123 R N 1.480 122.037 120.500 0.095 0.000 2.159 123 R HA -0.244 4.096 4.340 0.000 0.000 0.237 123 R C 2.152 178.402 176.300 -0.083 0.000 1.131 123 R CA 1.849 57.983 56.100 0.056 0.000 0.982 123 R CB -0.203 30.119 30.300 0.038 0.000 0.868 123 R HN 0.574 nan 8.270 nan 0.000 0.453 124 Q N -0.995 118.609 119.800 -0.326 0.000 2.364 124 Q HA -0.186 4.154 4.340 0.000 0.000 0.207 124 Q C 0.437 176.096 176.000 -0.567 0.000 0.970 124 Q CA 1.398 56.914 55.803 -0.480 0.000 0.888 124 Q CB -0.111 28.197 28.738 -0.716 0.000 0.951 124 Q HN 0.579 nan 8.270 nan 0.000 0.469 125 Y N -0.283 119.892 120.300 -0.207 0.000 2.524 125 Y HA 0.386 4.937 4.550 0.001 0.000 0.266 125 Y C 1.319 177.207 175.900 -0.019 0.000 1.180 125 Y CA -0.139 57.775 58.100 -0.309 0.000 1.244 125 Y CB 1.070 39.382 38.460 -0.247 0.000 1.125 125 Y HN 0.329 nan 8.280 nan 0.000 0.524 126 G N -1.046 107.814 108.800 0.101 0.000 2.194 126 G HA2 -0.298 3.662 3.960 0.000 0.000 0.236 126 G HA3 -0.298 3.662 3.960 0.000 0.000 0.236 126 G C -0.173 174.708 174.900 -0.033 0.000 0.987 126 G CA -0.583 44.525 45.100 0.013 0.000 0.635 126 G HN 0.291 nan 8.290 nan 0.000 0.520 127 Y N 0.740 121.080 120.300 0.067 0.000 2.326 127 Y HA 0.603 5.154 4.550 0.000 0.000 0.333 127 Y C 0.755 176.682 175.900 0.046 0.000 1.240 127 Y CA 0.418 58.556 58.100 0.063 0.000 1.365 127 Y CB 1.116 39.629 38.460 0.089 0.000 1.289 127 Y HN 0.259 nan 8.280 nan 0.000 0.548 128 E N 0.755 121.053 120.200 0.163 0.000 2.390 128 E HA 0.189 4.540 4.350 0.000 0.000 0.277 128 E C -1.576 175.051 176.600 0.045 0.000 0.939 128 E CA -0.894 55.565 56.400 0.098 0.000 0.769 128 E CB 1.432 31.151 29.700 0.031 0.000 1.251 128 E HN 0.554 nan 8.360 nan 0.000 0.450 129 Q N 1.000 120.821 119.800 0.034 0.000 2.289 129 Q HA 0.200 4.540 4.340 0.000 0.000 0.273 129 Q C -0.029 175.622 176.000 -0.582 0.000 1.029 129 Q CA 1.022 56.768 55.803 -0.095 0.000 0.896 129 Q CB 0.446 29.161 28.738 -0.039 0.000 1.182 129 Q HN 0.710 nan 8.270 nan 0.000 0.385 130 T N 0.970 115.059 114.554 -0.775 0.000 3.087 130 T HA 0.311 4.661 4.350 0.000 0.000 0.283 130 T C -0.299 173.590 174.700 -1.352 0.000 0.956 130 T CA -0.311 60.993 62.100 -1.327 0.000 0.894 130 T CB 0.180 68.527 68.868 -0.869 0.000 1.160 130 T HN 0.346 nan 8.240 nan 0.000 0.532 131 F N 0.871 120.588 119.950 -0.388 0.000 2.588 131 F HA 0.791 5.318 4.527 0.000 0.000 0.314 131 F C 0.089 175.988 175.800 0.165 0.000 1.069 131 F CA -0.984 56.996 58.000 -0.032 0.000 0.931 131 F CB 2.164 41.154 39.000 -0.016 0.000 1.260 131 F HN -0.016 nan 8.300 nan 0.000 0.465 132 E N 0.635 121.121 120.200 0.477 0.000 2.408 132 E HA 0.428 4.778 4.350 0.000 0.000 0.275 132 E C -1.557 175.196 176.600 0.254 0.000 0.935 132 E CA -1.112 55.504 56.400 0.360 0.000 0.775 132 E CB 2.954 32.868 29.700 0.357 0.000 1.277 132 E HN 0.527 nan 8.360 nan 0.000 0.455 133 Q N 0.307 120.144 119.800 0.061 0.000 2.377 133 Q HA 0.687 5.027 4.340 0.000 0.000 0.271 133 Q C -1.374 174.538 176.000 -0.147 0.000 1.077 133 Q CA -0.949 54.804 55.803 -0.082 0.000 0.820 133 Q CB 2.334 30.910 28.738 -0.270 0.000 1.347 133 Q HN 0.516 nan 8.270 nan 0.000 0.444 134 A N 1.856 124.572 122.820 -0.172 0.000 2.260 134 A HA 0.344 4.665 4.320 0.000 0.000 0.314 134 A C -0.793 176.540 177.584 -0.418 0.000 1.257 134 A CA -0.407 51.402 52.037 -0.380 0.000 0.871 134 A CB 0.659 19.467 19.000 -0.320 0.000 1.166 134 A HN 0.724 nan 8.150 nan 0.000 0.522 135 E N 2.835 122.795 120.200 -0.400 0.000 2.113 135 E HA 0.459 4.810 4.350 0.000 0.000 0.273 135 E C -1.653 174.793 176.600 -0.256 0.000 0.924 135 E CA -0.317 55.934 56.400 -0.247 0.000 0.764 135 E CB 0.568 30.213 29.700 -0.092 0.000 1.104 135 E HN 0.626 nan 8.360 nan 0.000 0.406 136 Y N 2.271 122.564 120.300 -0.013 0.000 2.330 136 Y HA 0.330 4.880 4.550 0.001 0.000 0.336 136 Y C 0.105 176.139 175.900 0.224 0.000 1.036 136 Y CA -0.547 57.623 58.100 0.117 0.000 1.125 136 Y CB 2.190 40.775 38.460 0.209 0.000 1.194 136 Y HN 0.299 nan 8.280 nan 0.000 0.469 137 T N 5.307 120.098 114.554 0.395 0.000 2.879 137 T HA 0.548 4.899 4.350 0.000 0.000 0.290 137 T C -1.151 173.758 174.700 0.349 0.000 0.993 137 T CA -0.530 61.816 62.100 0.411 0.000 0.975 137 T CB 0.988 70.056 68.868 0.333 0.000 0.981 137 T HN 0.565 nan 8.240 nan 0.000 0.439 138 I N 2.380 123.189 120.570 0.399 0.000 2.545 138 I HA 0.507 4.677 4.170 0.000 0.000 0.292 138 I C -0.632 175.704 176.117 0.365 0.000 1.040 138 I CA -0.948 60.564 61.300 0.353 0.000 1.068 138 I CB 1.567 39.786 38.000 0.365 0.000 1.251 138 I HN 0.413 nan 8.210 nan 0.000 0.424 139 K N 3.866 124.426 120.400 0.265 0.000 2.295 139 K HA 0.110 4.430 4.320 0.000 0.000 0.270 139 K C 0.936 177.716 176.600 0.300 0.000 1.011 139 K CA -0.013 56.410 56.287 0.227 0.000 0.953 139 K CB 1.091 33.679 32.500 0.147 0.000 0.956 139 K HN 0.677 nan 8.250 nan 0.000 0.477 140 T N 1.976 116.684 114.554 0.257 0.000 2.759 140 T HA -0.155 4.195 4.350 0.000 0.000 0.269 140 T C 1.058 175.936 174.700 0.298 0.000 1.042 140 T CA 1.843 64.147 62.100 0.338 0.000 1.140 140 T CB -0.020 68.925 68.868 0.127 0.000 0.864 140 T HN 0.588 nan 8.240 nan 0.000 0.455 141 E N 0.993 121.303 120.200 0.183 0.000 2.204 141 E HA -0.040 4.310 4.350 0.000 0.000 0.194 141 E C 1.835 178.511 176.600 0.127 0.000 0.989 141 E CA 1.098 57.576 56.400 0.130 0.000 0.824 141 E CB -0.150 29.601 29.700 0.086 0.000 0.756 141 E HN 0.514 nan 8.360 nan 0.000 0.477 142 D N -0.438 120.050 120.400 0.147 0.000 2.323 142 D HA -0.085 4.555 4.640 0.000 0.000 0.209 142 D C -0.119 176.223 176.300 0.070 0.000 0.973 142 D CA 0.115 54.172 54.000 0.095 0.000 0.874 142 D CB -0.121 40.737 40.800 0.098 0.000 0.930 142 D HN 0.212 nan 8.370 nan 0.000 0.521 143 W N 4.329 125.611 121.300 -0.029 0.000 2.397 143 W HA 0.065 4.725 4.660 0.000 0.000 0.327 143 W C -2.109 174.320 176.519 -0.150 0.000 1.421 143 W CA -1.096 56.139 57.345 -0.183 0.000 1.288 143 W CB 0.308 29.503 29.460 -0.441 0.000 1.312 143 W HN -0.042 nan 8.180 nan 0.000 0.559 144 P HA 0.088 nan 4.420 nan 0.000 0.272 144 P C -0.536 176.711 177.300 -0.089 0.000 1.230 144 P CA -0.008 62.939 63.100 -0.255 0.000 0.788 144 P CB 0.685 32.176 31.700 -0.349 0.000 0.949 145 R N 0.742 121.213 120.500 -0.047 0.000 2.438 145 R HA 0.377 4.717 4.340 0.000 0.000 0.287 145 R C -0.895 175.377 176.300 -0.048 0.000 1.077 145 R CA -0.317 55.771 56.100 -0.020 0.000 1.034 145 R CB 0.282 30.572 30.300 -0.018 0.000 0.993 145 R HN 0.258 nan 8.270 nan 0.000 0.459 146 V N 5.033 124.924 119.914 -0.039 0.000 2.483 146 V HA 0.228 4.349 4.120 0.000 0.000 0.297 146 V C -0.321 175.745 176.094 -0.046 0.000 1.027 146 V CA -0.988 61.274 62.300 -0.063 0.000 0.855 146 V CB 1.692 33.461 31.823 -0.091 0.000 0.995 146 V HN 0.776 nan 8.190 nan 0.000 0.424 147 K N 3.229 123.605 120.400 -0.040 0.000 2.489 147 K HA 0.203 4.524 4.320 0.000 0.000 0.278 147 K C 0.409 176.995 176.600 -0.023 0.000 1.000 147 K CA -0.066 56.206 56.287 -0.026 0.000 1.012 147 K CB 0.527 33.016 32.500 -0.019 0.000 0.903 147 K HN 0.497 nan 8.250 nan 0.000 0.485 148 R N 1.086 121.580 120.500 -0.010 0.000 2.697 148 R HA 0.054 4.395 4.340 0.000 0.000 0.265 148 R C -0.324 175.983 176.300 0.013 0.000 1.009 148 R CA 0.224 56.327 56.100 0.005 0.000 1.099 148 R CB 0.479 30.787 30.300 0.014 0.000 0.965 148 R HN 0.292 nan 8.270 nan 0.000 0.428 149 V N 4.104 124.036 119.914 0.030 0.000 3.078 149 V HA 0.442 4.562 4.120 0.000 0.000 0.311 149 V C -2.134 174.017 176.094 0.095 0.000 1.138 149 V CA -2.066 60.258 62.300 0.042 0.000 1.007 149 V CB 2.338 34.163 31.823 0.004 0.000 1.045 149 V HN 0.730 nan 8.190 nan 0.000 0.432 150 P HA 0.578 nan 4.420 nan 0.000 0.271 150 P C 0.039 177.484 177.300 0.240 0.000 1.233 150 P CA 1.222 64.403 63.100 0.135 0.000 0.789 150 P CB 0.255 32.020 31.700 0.108 0.000 0.951 151 G N -0.218 108.682 108.800 0.166 0.000 2.549 151 G HA2 0.270 4.231 3.960 0.000 0.000 0.404 151 G HA3 0.270 4.231 3.960 0.000 0.000 0.404 151 G C -0.855 174.095 174.900 0.083 0.000 1.292 151 G CA -0.336 44.817 45.100 0.088 0.000 0.935 151 G HN 0.999 nan 8.290 nan 0.000 0.512 152 T N -2.265 112.277 114.554 -0.020 0.000 2.916 152 T HA 0.727 5.077 4.350 0.000 0.000 0.305 152 T C -0.435 174.331 174.700 0.111 0.000 1.119 152 T CA -0.642 61.498 62.100 0.068 0.000 1.008 152 T CB 1.952 70.839 68.868 0.031 0.000 1.129 152 T HN 1.010 nan 8.240 nan 0.000 0.480 153 I N 1.720 122.381 120.570 0.152 0.000 2.412 153 I HA 0.463 4.633 4.170 0.000 0.000 0.296 153 I C 0.119 176.301 176.117 0.108 0.000 0.987 153 I CA -0.837 60.526 61.300 0.104 0.000 1.180 153 I CB 1.783 39.755 38.000 -0.048 0.000 1.340 153 I HN 0.475 nan 8.210 nan 0.000 0.455 154 K N 6.295 126.783 120.400 0.146 0.000 2.358 154 K HA 0.480 4.801 4.320 0.000 0.000 0.260 154 K C -0.709 175.962 176.600 0.119 0.000 0.956 154 K CA -0.833 55.547 56.287 0.154 0.000 0.834 154 K CB 1.741 34.377 32.500 0.227 0.000 1.102 154 K HN 0.492 nan 8.250 nan 0.000 0.431 155 R N 1.506 122.091 120.500 0.142 0.000 2.537 155 R HA 0.250 4.590 4.340 0.000 0.000 0.280 155 R C -0.354 176.027 176.300 0.134 0.000 1.058 155 R CA -0.138 56.068 56.100 0.177 0.000 1.057 155 R CB 0.724 31.174 30.300 0.250 0.000 0.973 155 R HN 0.213 nan 8.270 nan 0.000 0.438 156 V N 1.910 121.897 119.914 0.121 0.000 2.971 156 V HA 0.168 4.288 4.120 0.000 0.000 0.309 156 V C -0.151 175.994 176.094 0.084 0.000 1.130 156 V CA -0.799 61.556 62.300 0.091 0.000 0.964 156 V CB 2.404 34.277 31.823 0.084 0.000 1.029 156 V HN 1.018 nan 8.190 nan 0.000 0.427 157 S N 3.660 119.402 115.700 0.070 0.000 2.589 157 S HA 0.082 4.552 4.470 0.000 0.000 0.265 157 S C 0.971 175.639 174.600 0.113 0.000 1.342 157 S CA -0.097 58.159 58.200 0.093 0.000 1.005 157 S CB 0.630 63.874 63.200 0.074 0.000 0.909 157 S HN 0.958 nan 8.310 nan 0.000 0.555 158 W N 1.572 122.858 121.300 -0.023 0.000 2.358 158 W HA -0.175 4.485 4.660 0.001 0.000 0.303 158 W C 2.166 178.675 176.519 -0.018 0.000 1.208 158 W CA 1.487 58.813 57.345 -0.032 0.000 1.274 158 W CB -0.802 28.633 29.460 -0.041 0.000 1.138 158 W HN 0.919 nan 8.180 nan 0.000 0.515 159 A N 0.815 123.624 122.820 -0.019 0.000 1.883 159 A HA -0.259 4.061 4.320 0.000 0.000 0.217 159 A C 1.622 179.113 177.584 -0.155 0.000 1.186 159 A CA 2.195 54.176 52.037 -0.093 0.000 0.624 159 A CB -1.081 17.930 19.000 0.019 0.000 0.822 159 A HN 0.272 nan 8.150 nan 0.000 0.444 160 D N -0.974 119.368 120.400 -0.097 0.000 2.234 160 D HA 0.005 4.645 4.640 0.000 0.000 0.205 160 D C 1.859 178.088 176.300 -0.119 0.000 0.962 160 D CA 1.295 55.249 54.000 -0.077 0.000 0.855 160 D CB -0.336 40.453 40.800 -0.019 0.000 0.951 160 D HN 0.476 nan 8.370 nan 0.000 0.500 161 G N 1.137 109.817 108.800 -0.200 0.000 2.796 161 G HA2 -0.116 3.844 3.960 0.000 0.000 0.210 161 G HA3 -0.116 3.844 3.960 0.000 0.000 0.210 161 G C 1.498 176.123 174.900 -0.459 0.000 1.146 161 G CA 0.149 45.105 45.100 -0.241 0.000 0.779 161 G HN 0.302 nan 8.290 nan 0.000 0.535 162 K N 0.634 120.577 120.400 -0.762 0.000 2.152 162 K HA 0.013 4.333 4.320 0.000 0.000 0.206 162 K C 1.740 178.056 176.600 -0.472 0.000 1.048 162 K CA 1.364 57.056 56.287 -0.991 0.000 0.933 162 K CB 0.025 31.782 32.500 -1.238 0.000 0.721 162 K HN 0.095 nan 8.250 nan 0.000 0.447 163 E N 0.868 120.895 120.200 -0.289 0.000 2.216 163 E HA -0.002 4.348 4.350 0.000 0.000 0.192 163 E C 2.250 178.787 176.600 -0.105 0.000 0.973 163 E CA 0.614 56.925 56.400 -0.148 0.000 0.851 163 E CB -0.015 29.634 29.700 -0.086 0.000 0.804 163 E HN 0.160 nan 8.360 nan 0.000 0.477 164 V N 1.946 121.794 119.914 -0.109 0.000 2.343 164 V HA -0.243 3.877 4.120 0.000 0.000 0.247 164 V C 2.444 178.475 176.094 -0.106 0.000 1.051 164 V CA 1.421 63.682 62.300 -0.065 0.000 1.036 164 V CB -0.496 31.304 31.823 -0.038 0.000 0.654 164 V HN 0.187 nan 8.190 nan 0.000 0.451 165 I N -0.247 120.168 120.570 -0.259 0.000 2.163 165 I HA -0.311 3.859 4.170 0.000 0.000 0.243 165 I C 2.636 178.620 176.117 -0.222 0.000 1.085 165 I CA 1.958 62.961 61.300 -0.495 0.000 1.347 165 I CB -0.413 37.172 38.000 -0.692 0.000 1.044 165 I HN 0.277 nan 8.210 nan 0.000 0.408 166 K N 0.704 121.036 120.400 -0.113 0.000 2.063 166 K HA -0.233 4.087 4.320 0.000 0.000 0.208 166 K C 1.647 178.336 176.600 0.149 0.000 1.048 166 K CA 1.968 58.288 56.287 0.056 0.000 0.928 166 K CB -0.018 32.503 32.500 0.034 0.000 0.713 166 K HN 0.264 nan 8.250 nan 0.000 0.442 167 D N 0.013 120.466 120.400 0.087 0.000 2.117 167 D HA -0.125 4.515 4.640 0.000 0.000 0.198 167 D C 1.941 178.325 176.300 0.139 0.000 0.982 167 D CA 0.914 54.975 54.000 0.102 0.000 0.828 167 D CB -0.230 40.609 40.800 0.065 0.000 0.967 167 D HN 0.016 nan 8.370 nan 0.000 0.464 168 V N 0.641 120.661 119.914 0.176 0.000 2.427 168 V HA -0.253 3.867 4.120 0.000 0.000 0.248 168 V C 2.200 178.465 176.094 0.285 0.000 1.051 168 V CA 1.361 63.805 62.300 0.240 0.000 1.048 168 V CB -0.626 31.422 31.823 0.373 0.000 0.666 168 V HN 0.198 nan 8.190 nan 0.000 0.456 169 Y N 0.556 121.019 120.300 0.272 0.000 2.163 169 Y HA -0.161 4.389 4.550 0.000 0.000 0.288 169 Y C 2.171 178.156 175.900 0.141 0.000 1.136 169 Y CA 1.609 59.856 58.100 0.244 0.000 1.147 169 Y CB -0.273 38.352 38.460 0.276 0.000 0.987 169 Y HN 0.141 nan 8.280 nan 0.000 0.509 170 L N 0.381 121.633 121.223 0.048 0.000 2.131 170 L HA -0.193 4.148 4.340 0.000 0.000 0.210 170 L C 2.530 179.418 176.870 0.031 0.000 1.092 170 L CA 1.944 56.773 54.840 -0.019 0.000 0.759 170 L CB -0.557 41.587 42.059 0.140 0.000 0.903 170 L HN 0.343 nan 8.230 nan 0.000 0.435 171 E N 1.004 121.232 120.200 0.046 0.000 2.152 171 E HA -0.173 4.177 4.350 0.000 0.000 0.192 171 E C 0.915 177.458 176.600 -0.095 0.000 0.983 171 E CA 0.130 56.574 56.400 0.074 0.000 0.818 171 E CB 0.096 29.833 29.700 0.061 0.000 0.758 171 E HN 0.502 nan 8.360 nan 0.000 0.467 172 N N 0.248 118.806 118.700 -0.236 0.000 2.492 172 N HA -0.100 4.640 4.740 0.000 0.000 0.262 172 N C 0.546 175.660 175.510 -0.660 0.000 1.202 172 N CA 0.260 53.102 53.050 -0.346 0.000 0.926 172 N CB 0.901 39.229 38.487 -0.264 0.000 1.078 172 N HN 0.038 nan 8.380 nan 0.000 0.454 173 Q N 1.656 121.128 119.800 -0.547 0.000 2.197 173 Q HA -0.162 4.179 4.340 0.000 0.000 0.207 173 Q C 1.144 176.852 176.000 -0.487 0.000 0.984 173 Q CA 1.502 56.971 55.803 -0.558 0.000 0.869 173 Q CB -0.033 28.539 28.738 -0.276 0.000 0.906 173 Q HN 0.658 nan 8.270 nan 0.000 0.426 174 R N -0.206 120.064 120.500 -0.383 0.000 2.307 174 R HA 0.128 4.468 4.340 0.000 0.000 0.199 174 R C 1.545 177.714 176.300 -0.218 0.000 1.000 174 R CA 0.716 56.671 56.100 -0.242 0.000 1.023 174 R CB 0.071 30.264 30.300 -0.179 0.000 0.908 174 R HN 0.105 nan 8.270 nan 0.000 0.473 175 A N 0.593 123.182 122.820 -0.385 0.000 2.251 175 A HA -0.008 4.312 4.320 0.000 0.000 0.209 175 A C 0.694 178.256 177.584 -0.036 0.000 1.187 175 A CA 0.326 52.172 52.037 -0.317 0.000 0.823 175 A CB -0.395 18.165 19.000 -0.733 0.000 0.846 175 A HN 0.398 nan 8.150 nan 0.000 0.486 176 H N -0.916 118.041 119.070 -0.188 0.000 2.487 176 H HA 0.258 4.814 4.556 0.000 0.000 0.290 176 H C -0.092 174.991 175.328 -0.408 0.000 1.081 176 H CA -0.052 55.861 56.048 -0.225 0.000 1.116 176 H CB 0.531 30.164 29.762 -0.215 0.000 1.560 176 H HN 0.351 nan 8.280 nan 0.000 0.548 177 S N 0.275 115.855 115.700 -0.201 0.000 2.558 177 S HA 0.287 4.757 4.470 0.000 0.000 0.238 177 S C 1.126 175.800 174.600 0.123 0.000 1.183 177 S CA 0.212 58.196 58.200 -0.360 0.000 1.185 177 S CB 0.934 64.014 63.200 -0.199 0.000 1.003 177 S HN 0.729 nan 8.310 nan 0.000 0.478 178 G N 0.965 109.952 108.800 0.312 0.000 2.159 178 G HA2 -0.161 3.799 3.960 0.000 0.000 0.227 178 G HA3 -0.161 3.799 3.960 0.000 0.000 0.227 178 G C 0.387 175.554 174.900 0.445 0.000 0.986 178 G CA -0.406 45.047 45.100 0.588 0.000 0.651 178 G HN 0.878 nan 8.290 nan 0.000 0.523 179 G N -0.571 108.398 108.800 0.283 0.000 2.527 179 G HA2 0.547 4.507 3.960 0.000 0.000 0.248 179 G HA3 0.547 4.507 3.960 0.000 0.000 0.248 179 G C 0.504 175.566 174.900 0.270 0.000 1.231 179 G CA 0.223 45.476 45.100 0.256 0.000 0.838 179 G HN 0.947 nan 8.290 nan 0.000 0.570 180 V N 2.207 122.274 119.914 0.256 0.000 2.585 180 V HA 0.003 4.123 4.120 0.000 0.000 0.296 180 V C 0.888 177.146 176.094 0.272 0.000 1.035 180 V CA 0.099 62.502 62.300 0.171 0.000 1.084 180 V CB 0.874 32.697 31.823 0.001 0.000 0.953 180 V HN 0.480 nan 8.190 nan 0.000 0.483 181 I N 6.726 127.422 120.570 0.211 0.000 2.357 181 I HA 0.150 4.320 4.170 0.000 0.000 0.300 181 I C 0.949 177.194 176.117 0.213 0.000 1.159 181 I CA 0.112 61.543 61.300 0.219 0.000 1.339 181 I CB -0.317 37.771 38.000 0.147 0.000 1.458 181 I HN 0.554 nan 8.210 nan 0.000 0.577 182 R N 5.375 126.041 120.500 0.277 0.000 2.489 182 R HA 0.194 4.534 4.340 0.000 0.000 0.287 182 R C -0.117 176.279 176.300 0.159 0.000 1.053 182 R CA -0.155 56.074 56.100 0.214 0.000 1.036 182 R CB 0.638 31.070 30.300 0.219 0.000 0.966 182 R HN 0.543 nan 8.270 nan 0.000 0.432 183 E N 0.679 120.937 120.200 0.096 0.000 2.283 183 E HA 0.097 4.448 4.350 0.000 0.000 0.267 183 E C 0.681 177.312 176.600 0.052 0.000 1.045 183 E CA -0.510 55.944 56.400 0.091 0.000 0.884 183 E CB 1.140 30.928 29.700 0.147 0.000 1.106 183 E HN 0.458 nan 8.360 nan 0.000 0.408 184 T N 1.373 115.995 114.554 0.112 0.000 2.653 184 T HA -0.222 4.128 4.350 0.000 0.000 0.268 184 T C 1.483 176.271 174.700 0.147 0.000 1.035 184 T CA 1.839 64.013 62.100 0.123 0.000 1.154 184 T CB -0.281 68.674 68.868 0.145 0.000 0.862 184 T HN 0.724 nan 8.240 nan 0.000 0.441 185 W N 0.101 121.469 121.300 0.113 0.000 2.402 185 W HA -0.057 4.603 4.660 0.000 0.000 0.286 185 W C 2.109 178.716 176.519 0.147 0.000 1.221 185 W CA 0.270 57.663 57.345 0.080 0.000 1.257 185 W CB -0.993 28.414 29.460 -0.089 0.000 1.120 185 W HN 0.385 nan 8.180 nan 0.000 0.551 186 W N 1.782 122.329 121.300 -1.256 0.000 2.453 186 W HA -0.113 4.547 4.660 0.000 0.000 0.289 186 W C 2.020 178.343 176.519 -0.327 0.000 1.215 186 W CA 0.690 57.328 57.345 -1.180 0.000 1.297 186 W CB -0.561 28.224 29.460 -1.126 0.000 1.113 186 W HN -0.133 nan 8.180 nan 0.000 0.551 187 L N 1.677 122.822 121.223 -0.130 0.000 2.046 187 L HA -0.202 4.138 4.340 0.000 0.000 0.208 187 L C 2.018 178.921 176.870 0.055 0.000 1.077 187 L CA 2.265 57.100 54.840 -0.008 0.000 0.747 187 L CB -1.097 41.048 42.059 0.143 0.000 0.896 187 L HN -0.214 nan 8.230 nan 0.000 0.432 188 D N -1.678 118.815 120.400 0.156 0.000 2.097 188 D HA -0.269 4.371 4.640 0.000 0.000 0.195 188 D C 2.018 178.274 176.300 -0.074 0.000 0.989 188 D CA 1.579 55.664 54.000 0.142 0.000 0.827 188 D CB -0.374 40.585 40.800 0.266 0.000 0.966 188 D HN 0.442 nan 8.370 nan 0.000 0.456 189 Y N 1.400 121.579 120.300 -0.201 0.000 2.207 189 Y HA -0.242 4.308 4.550 0.000 0.000 0.287 189 Y C 2.345 178.008 175.900 -0.396 0.000 1.156 189 Y CA 2.347 60.308 58.100 -0.233 0.000 1.182 189 Y CB -0.204 38.127 38.460 -0.215 0.000 0.979 189 Y HN 0.068 nan 8.280 nan 0.000 0.521 190 T N -2.926 111.318 114.554 -0.517 0.000 3.031 190 T HA 0.070 4.420 4.350 0.000 0.000 0.254 190 T C 1.445 175.900 174.700 -0.409 0.000 1.060 190 T CA 0.983 62.763 62.100 -0.533 0.000 1.135 190 T CB -0.373 68.112 68.868 -0.638 0.000 0.896 190 T HN 0.329 nan 8.240 nan 0.000 0.472 191 L N 0.230 121.189 121.223 -0.440 0.000 2.858 191 L HA 0.471 4.811 4.340 0.000 0.000 0.251 191 L C 0.392 176.760 176.870 -0.837 0.000 1.149 191 L CA -0.128 54.409 54.840 -0.505 0.000 0.955 191 L CB 0.382 42.222 42.059 -0.365 0.000 1.289 191 L HN 0.152 nan 8.230 nan 0.000 0.542 192 N N 1.328 119.541 118.700 -0.812 0.000 2.791 192 N HA 0.189 4.929 4.740 0.000 0.000 0.265 192 N C -0.852 174.385 175.510 -0.455 0.000 1.580 192 N CA -0.321 52.229 53.050 -0.833 0.000 0.809 192 N CB 0.595 38.369 38.487 -1.187 0.000 1.178 192 N HN -0.058 nan 8.380 nan 0.000 0.499 193 R N 0.450 120.733 120.500 -0.361 0.000 2.604 193 R HA 0.561 4.901 4.340 0.000 0.000 0.287 193 R C 0.641 176.824 176.300 -0.195 0.000 0.970 193 R CA -0.567 55.382 56.100 -0.252 0.000 0.946 193 R CB 1.246 31.405 30.300 -0.235 0.000 1.127 193 R HN 0.274 nan 8.270 nan 0.000 0.473 194 A N 1.208 123.945 122.820 -0.137 0.000 2.015 194 A HA -0.146 4.174 4.320 0.000 0.000 0.219 194 A C 1.840 179.366 177.584 -0.095 0.000 1.163 194 A CA 1.768 53.743 52.037 -0.103 0.000 0.646 194 A CB -0.276 18.682 19.000 -0.070 0.000 0.806 194 A HN 0.774 nan 8.150 nan 0.000 0.448 195 S N -1.286 114.356 115.700 -0.096 0.000 2.562 195 S HA 0.154 4.625 4.470 0.000 0.000 0.221 195 S C 0.541 175.085 174.600 -0.093 0.000 0.975 195 S CA 0.243 58.395 58.200 -0.079 0.000 0.918 195 S CB -0.102 63.060 63.200 -0.063 0.000 0.772 195 S HN 0.440 nan 8.310 nan 0.000 0.531 196 K N 2.154 122.480 120.400 -0.123 0.000 2.895 196 K HA 0.345 4.665 4.320 0.000 0.000 0.191 196 K C -3.281 173.221 176.600 -0.163 0.000 1.117 196 K CA -1.386 54.822 56.287 -0.133 0.000 0.988 196 K CB 1.766 34.183 32.500 -0.138 0.000 1.181 196 K HN 0.172 nan 8.250 nan 0.000 0.598 197 P HA 0.174 nan 4.420 nan 0.000 0.282 197 P C -0.903 176.281 177.300 -0.193 0.000 1.274 197 P CA -0.439 62.561 63.100 -0.167 0.000 0.770 197 P CB 0.671 32.293 31.700 -0.129 0.000 0.867 198 N N 2.670 121.235 118.700 -0.225 0.000 2.430 198 N HA 0.327 5.067 4.740 0.000 0.000 0.298 198 N C -0.137 175.196 175.510 -0.295 0.000 1.130 198 N CA -0.462 52.428 53.050 -0.268 0.000 0.894 198 N CB 0.868 39.215 38.487 -0.233 0.000 1.209 198 N HN 0.284 nan 8.380 nan 0.000 0.503 199 N N 0.779 119.170 118.700 -0.516 0.000 2.476 199 N HA 0.428 5.168 4.740 0.000 0.000 0.276 199 N C -0.717 174.498 175.510 -0.492 0.000 1.204 199 N CA -0.307 52.418 53.050 -0.542 0.000 0.974 199 N CB 0.901 38.923 38.487 -0.775 0.000 1.204 199 N HN 0.377 nan 8.380 nan 0.000 0.543 200 Q N -0.227 119.503 119.800 -0.117 0.000 2.345 200 Q HA 0.799 5.139 4.340 0.000 0.000 0.275 200 Q C -1.466 174.675 176.000 0.236 0.000 1.063 200 Q CA -0.678 55.206 55.803 0.135 0.000 0.819 200 Q CB 2.479 31.312 28.738 0.158 0.000 1.356 200 Q HN 0.700 nan 8.270 nan 0.000 0.418 201 A N 2.346 125.316 122.820 0.250 0.000 2.435 201 A HA 0.898 5.218 4.320 0.000 0.000 0.304 201 A C -1.269 176.337 177.584 0.037 0.000 1.064 201 A CA -0.561 51.503 52.037 0.045 0.000 0.727 201 A CB 1.107 19.887 19.000 -0.367 0.000 1.284 201 A HN 0.680 nan 8.150 nan 0.000 0.415 202 I N 1.527 122.093 120.570 -0.007 0.000 2.465 202 I HA 0.264 4.434 4.170 0.000 0.000 0.291 202 I C -1.174 174.857 176.117 -0.142 0.000 1.014 202 I CA -0.634 60.627 61.300 -0.064 0.000 1.093 202 I CB 1.917 39.802 38.000 -0.191 0.000 1.267 202 I HN 0.787 nan 8.210 nan 0.000 0.431 203 Y N 7.022 127.191 120.300 -0.218 0.000 2.313 203 Y HA 0.416 4.966 4.550 0.001 0.000 0.332 203 Y C -1.352 174.376 175.900 -0.287 0.000 1.071 203 Y CA -0.329 57.684 58.100 -0.147 0.000 1.169 203 Y CB 0.543 38.984 38.460 -0.031 0.000 1.192 203 Y HN 0.305 nan 8.280 nan 0.000 0.487 204 Y N 3.673 123.544 120.300 -0.716 0.000 2.377 204 Y HA 0.367 4.917 4.550 0.001 0.000 0.339 204 Y C 0.571 175.908 175.900 -0.938 0.000 1.011 204 Y CA -0.817 56.923 58.100 -0.601 0.000 1.093 204 Y CB 1.497 39.787 38.460 -0.284 0.000 1.201 204 Y HN 0.710 nan 8.280 nan 0.000 0.455 205 S N 0.267 115.758 115.700 -0.349 0.000 2.596 205 S HA -0.009 4.461 4.470 0.000 0.000 0.260 205 S C 1.370 175.936 174.600 -0.056 0.000 1.336 205 S CA -0.058 58.066 58.200 -0.127 0.000 0.993 205 S CB 0.818 64.050 63.200 0.054 0.000 0.923 205 S HN 0.850 nan 8.310 nan 0.000 0.567 206 S N 0.430 116.141 115.700 0.019 0.000 2.440 206 S HA -0.119 4.351 4.470 0.000 0.000 0.238 206 S C 1.093 175.701 174.600 0.012 0.000 1.010 206 S CA 0.974 59.187 58.200 0.021 0.000 0.972 206 S CB -0.614 62.613 63.200 0.045 0.000 0.774 206 S HN 0.785 nan 8.310 nan 0.000 0.501 207 E N 0.857 121.070 120.200 0.021 0.000 2.489 207 E HA 0.229 4.579 4.350 0.000 0.000 0.193 207 E C 1.431 178.039 176.600 0.013 0.000 1.057 207 E CA 0.579 56.990 56.400 0.019 0.000 0.866 207 E CB -0.186 29.533 29.700 0.031 0.000 0.916 207 E HN 0.736 nan 8.360 nan 0.000 0.500 208 G N 1.753 110.559 108.800 0.010 0.000 2.176 208 G HA2 -0.255 3.705 3.960 0.000 0.000 0.232 208 G HA3 -0.255 3.705 3.960 0.000 0.000 0.232 208 G C 0.304 175.265 174.900 0.102 0.000 0.986 208 G CA 0.058 45.164 45.100 0.009 0.000 0.643 208 G HN 0.174 nan 8.290 nan 0.000 0.522 209 K N 1.107 121.567 120.400 0.100 0.000 2.201 209 K HA 0.668 4.988 4.320 0.000 0.000 0.278 209 K C 0.748 177.412 176.600 0.108 0.000 1.027 209 K CA 0.082 56.440 56.287 0.119 0.000 0.909 209 K CB 0.943 33.491 32.500 0.081 0.000 1.062 209 K HN 0.564 nan 8.250 nan 0.000 0.465 210 A N 4.544 127.417 122.820 0.088 0.000 2.505 210 A HA 0.027 4.348 4.320 0.000 0.000 0.271 210 A C 0.237 177.833 177.584 0.020 0.000 1.112 210 A CA 0.411 52.375 52.037 -0.122 0.000 0.781 210 A CB -0.132 18.792 19.000 -0.127 0.000 1.059 210 A HN 0.894 nan 8.150 nan 0.000 0.508 211 E N 1.723 121.989 120.200 0.110 0.000 2.538 211 E HA 0.351 4.701 4.350 0.000 0.000 0.207 211 E C 0.581 177.350 176.600 0.280 0.000 1.002 211 E CA 0.403 56.948 56.400 0.242 0.000 0.952 211 E CB 0.787 30.701 29.700 0.357 0.000 1.031 211 E HN 0.902 nan 8.360 nan 0.000 0.476 212 G N 0.980 109.938 108.800 0.264 0.000 2.355 212 G HA2 0.360 4.320 3.960 0.000 0.000 0.296 212 G HA3 0.360 4.320 3.960 0.000 0.000 0.296 212 G C -1.949 173.120 174.900 0.281 0.000 1.507 212 G CA -0.898 44.358 45.100 0.260 0.000 0.823 212 G HN 0.104 nan 8.290 nan 0.000 0.569 213 Y N -2.023 118.426 120.300 0.247 0.000 2.638 213 Y HA 0.808 5.359 4.550 0.000 0.000 0.335 213 Y C -1.140 174.925 175.900 0.274 0.000 1.155 213 Y CA -1.679 56.529 58.100 0.180 0.000 1.046 213 Y CB 1.525 40.060 38.460 0.124 0.000 1.303 213 Y HN 0.674 nan 8.280 nan 0.000 0.460 214 V N 3.230 123.336 119.914 0.319 0.000 2.531 214 V HA 0.501 4.621 4.120 0.000 0.000 0.301 214 V C -0.414 175.957 176.094 0.462 0.000 1.034 214 V CA -0.866 61.591 62.300 0.262 0.000 0.865 214 V CB 1.557 33.385 31.823 0.008 0.000 0.995 214 V HN 0.743 nan 8.190 nan 0.000 0.424 215 I N 5.879 126.714 120.570 0.442 0.000 2.359 215 I HA 0.654 4.824 4.170 0.000 0.000 0.294 215 I C -0.638 175.623 176.117 0.240 0.000 0.987 215 I CA -0.528 60.955 61.300 0.305 0.000 1.225 215 I CB 1.236 39.393 38.000 0.262 0.000 1.366 215 I HN 0.832 nan 8.210 nan 0.000 0.466 216 Y N 4.279 124.548 120.300 -0.052 0.000 2.609 216 Y HA 0.820 5.370 4.550 0.000 0.000 0.336 216 Y C -1.111 174.592 175.900 -0.329 0.000 1.129 216 Y CA -1.453 56.493 58.100 -0.257 0.000 1.040 216 Y CB 1.360 39.550 38.460 -0.451 0.000 1.310 216 Y HN 0.601 nan 8.280 nan 0.000 0.460 217 R N 1.548 121.833 120.500 -0.357 0.000 2.764 217 R HA 0.796 5.137 4.340 0.000 0.000 0.270 217 R C -1.990 174.072 176.300 -0.397 0.000 1.014 217 R CA -1.032 54.851 56.100 -0.363 0.000 0.904 217 R CB 2.289 32.437 30.300 -0.253 0.000 1.236 217 R HN 0.754 nan 8.270 nan 0.000 0.466 218 I N 1.049 121.446 120.570 -0.288 0.000 2.377 218 I HA 0.677 4.847 4.170 0.000 0.000 0.293 218 I C -0.554 175.482 176.117 -0.134 0.000 0.987 218 I CA -0.796 60.376 61.300 -0.214 0.000 1.185 218 I CB 1.901 39.819 38.000 -0.137 0.000 1.341 218 I HN 0.870 nan 8.210 nan 0.000 0.455 219 A N 4.717 127.473 122.820 -0.106 0.000 2.540 219 A HA 0.709 5.029 4.320 0.000 0.000 0.297 219 A C 0.164 177.708 177.584 -0.066 0.000 1.056 219 A CA 0.001 51.990 52.037 -0.079 0.000 0.700 219 A CB 1.480 20.434 19.000 -0.078 0.000 1.280 219 A HN 1.501 nan 8.150 nan 0.000 0.398 220 A N 0.708 123.495 122.820 -0.055 0.000 2.872 220 A HA 0.301 4.621 4.320 0.000 0.000 0.273 220 A C 2.038 179.592 177.584 -0.050 0.000 1.442 220 A CA 2.186 54.194 52.037 -0.048 0.000 0.801 220 A CB -1.758 17.213 19.000 -0.049 0.000 1.031 220 A HN 3.210 nan 8.150 nan 0.000 0.582 221 G N -3.517 105.250 108.800 -0.054 0.000 2.199 221 G HA2 -0.033 3.927 3.960 0.000 0.000 0.254 221 G HA3 -0.033 3.927 3.960 0.000 0.000 0.254 221 G C 0.359 175.213 174.900 -0.077 0.000 0.982 221 G CA 0.847 45.912 45.100 -0.058 0.000 0.632 221 G HN 1.958 nan 8.290 nan 0.000 0.529 222 T N 0.706 115.217 114.554 -0.073 0.000 2.797 222 T HA 0.514 4.864 4.350 0.000 0.000 0.279 222 T C -0.561 174.102 174.700 -0.061 0.000 0.991 222 T CA -0.430 61.633 62.100 -0.061 0.000 0.979 222 T CB 1.725 70.577 68.868 -0.027 0.000 0.943 222 T HN 0.404 nan 8.240 nan 0.000 0.444 223 F N 4.062 123.849 119.950 -0.272 0.000 2.434 223 F HA 0.217 4.744 4.527 0.000 0.000 0.358 223 F C 0.545 176.325 175.800 -0.034 0.000 1.136 223 F CA -0.516 57.336 58.000 -0.247 0.000 1.157 223 F CB 0.361 39.027 39.000 -0.557 0.000 1.167 223 F HN 0.390 nan 8.300 nan 0.000 0.539 224 E N 7.855 127.987 120.200 -0.113 0.000 2.105 224 E HA 0.155 4.505 4.350 0.000 0.000 0.285 224 E C 0.017 176.642 176.600 0.042 0.000 1.055 224 E CA -0.228 56.219 56.400 0.080 0.000 0.843 224 E CB 1.251 30.979 29.700 0.047 0.000 1.067 224 E HN 0.638 nan 8.360 nan 0.000 0.398 225 I N 3.912 124.608 120.570 0.211 0.000 2.372 225 I HA -0.075 4.095 4.170 0.000 0.000 0.298 225 I C 1.575 177.789 176.117 0.163 0.000 1.137 225 I CA -0.179 61.176 61.300 0.093 0.000 1.314 225 I CB 0.309 38.152 38.000 -0.263 0.000 1.444 225 I HN 0.284 nan 8.210 nan 0.000 0.541 226 V N 4.736 124.741 119.914 0.152 0.000 2.358 226 V HA -0.108 4.012 4.120 0.000 0.000 0.246 226 V C 0.859 177.118 176.094 0.276 0.000 1.047 226 V CA 1.464 63.870 62.300 0.176 0.000 1.035 226 V CB -0.464 31.411 31.823 0.086 0.000 0.658 226 V HN 0.838 nan 8.190 nan 0.000 0.452 227 E N -1.738 118.643 120.200 0.302 0.000 2.381 227 E HA 0.300 4.651 4.350 0.000 0.000 0.286 227 E C -2.270 174.557 176.600 0.379 0.000 0.960 227 E CA -0.637 56.009 56.400 0.410 0.000 0.793 227 E CB 1.722 31.673 29.700 0.419 0.000 1.225 227 E HN 0.118 nan 8.360 nan 0.000 0.420 228 W N 5.655 127.019 121.300 0.105 0.000 2.802 228 W HA 0.546 5.206 4.660 0.000 0.000 0.331 228 W C -1.863 174.638 176.519 -0.029 0.000 1.021 228 W CA -0.740 56.557 57.345 -0.079 0.000 1.259 228 W CB 0.884 30.169 29.460 -0.292 0.000 1.323 228 W HN 0.414 nan 8.180 nan 0.000 0.432 229 N N 4.779 123.370 118.700 -0.181 0.000 2.229 229 N HA 0.526 5.267 4.740 0.000 0.000 0.298 229 N C -1.678 173.732 175.510 -0.165 0.000 1.114 229 N CA -0.330 52.523 53.050 -0.327 0.000 0.776 229 N CB 2.577 40.886 38.487 -0.297 0.000 1.501 229 N HN 0.361 nan 8.380 nan 0.000 0.474 230 Y N -1.473 118.731 120.300 -0.160 0.000 2.482 230 Y HA 0.472 5.022 4.550 0.000 0.000 0.334 230 Y C -0.234 175.632 175.900 -0.057 0.000 1.091 230 Y CA -0.899 57.160 58.100 -0.068 0.000 1.027 230 Y CB 0.999 39.429 38.460 -0.051 0.000 1.306 230 Y HN 0.317 nan 8.280 nan 0.000 0.446 231 L N 1.968 123.273 121.223 0.136 0.000 2.590 231 L HA 0.250 4.591 4.340 0.000 0.000 0.227 231 L C 0.341 177.275 176.870 0.107 0.000 1.099 231 L CA 0.711 55.590 54.840 0.066 0.000 0.872 231 L CB 0.488 42.593 42.059 0.077 0.000 1.088 231 L HN 0.929 nan 8.230 nan 0.000 0.479 232 T N -6.246 108.413 114.554 0.175 0.000 2.883 232 T HA 0.199 4.549 4.350 0.000 0.000 0.301 232 T C 0.375 175.153 174.700 0.129 0.000 1.158 232 T CA -0.652 61.527 62.100 0.131 0.000 1.007 232 T CB 1.900 70.843 68.868 0.124 0.000 1.186 232 T HN -0.185 nan 8.240 nan 0.000 0.499 233 N N 0.589 119.336 118.700 0.078 0.000 2.149 233 N HA -0.155 4.585 4.740 0.000 0.000 0.188 233 N C 2.003 177.543 175.510 0.049 0.000 1.019 233 N CA 2.534 55.627 53.050 0.073 0.000 0.857 233 N CB -0.385 38.132 38.487 0.050 0.000 0.997 233 N HN 0.838 nan 8.380 nan 0.000 0.426 234 T N -2.178 112.378 114.554 0.004 0.000 2.942 234 T HA 0.157 4.507 4.350 0.000 0.000 0.265 234 T C 1.798 176.295 174.700 -0.338 0.000 1.062 234 T CA 1.107 63.163 62.100 -0.073 0.000 1.139 234 T CB -0.401 68.481 68.868 0.024 0.000 0.883 234 T HN 0.208 nan 8.240 nan 0.000 0.468 235 A N 1.041 123.640 122.820 -0.368 0.000 1.873 235 A HA 0.104 4.425 4.320 0.000 0.000 0.215 235 A C 2.028 179.425 177.584 -0.311 0.000 1.186 235 A CA 1.566 53.205 52.037 -0.665 0.000 0.616 235 A CB -1.299 17.638 19.000 -0.105 0.000 0.823 235 A HN 0.602 nan 8.150 nan 0.000 0.442 236 F N 0.888 120.608 119.950 -0.383 0.000 2.063 236 F HA -0.249 4.278 4.527 0.000 0.000 0.298 236 F C 2.058 177.714 175.800 -0.239 0.000 1.109 236 F CA 2.450 60.070 58.000 -0.633 0.000 1.212 236 F CB -0.386 38.042 39.000 -0.952 0.000 0.973 236 F HN 0.153 nan 8.300 nan 0.000 0.480 237 K N -0.056 120.091 120.400 -0.422 0.000 2.062 237 K HA 0.007 4.328 4.320 0.000 0.000 0.205 237 K C 2.363 178.789 176.600 -0.290 0.000 1.051 237 K CA 1.047 57.079 56.287 -0.425 0.000 0.941 237 K CB -0.555 31.822 32.500 -0.205 0.000 0.719 237 K HN 0.347 nan 8.250 nan 0.000 0.440 238 A N 1.110 123.754 122.820 -0.293 0.000 1.865 238 A HA -0.170 4.151 4.320 0.000 0.000 0.217 238 A C 2.084 179.593 177.584 -0.126 0.000 1.191 238 A CA 1.456 53.369 52.037 -0.208 0.000 0.623 238 A CB -0.739 18.030 19.000 -0.384 0.000 0.826 238 A HN 0.185 nan 8.150 nan 0.000 0.444 239 L N -0.860 120.276 121.223 -0.145 0.000 2.141 239 L HA -0.122 4.218 4.340 0.000 0.000 0.209 239 L C 3.029 179.756 176.870 -0.239 0.000 1.094 239 L CA 0.826 55.594 54.840 -0.119 0.000 0.763 239 L CB -0.450 41.622 42.059 0.022 0.000 0.908 239 L HN 0.433 nan 8.230 nan 0.000 0.437 240 A N 0.304 123.007 122.820 -0.195 0.000 1.902 240 A HA -0.126 4.194 4.320 0.000 0.000 0.217 240 A C 2.393 179.943 177.584 -0.057 0.000 1.181 240 A CA 1.737 53.682 52.037 -0.153 0.000 0.623 240 A CB -1.183 17.658 19.000 -0.266 0.000 0.818 240 A HN 0.428 nan 8.150 nan 0.000 0.443 241 G N -1.750 107.000 108.800 -0.084 0.000 2.448 241 G HA2 -0.123 3.837 3.960 0.000 0.000 0.218 241 G HA3 -0.123 3.837 3.960 0.000 0.000 0.218 241 G C 1.409 176.252 174.900 -0.096 0.000 1.135 241 G CA 0.998 46.062 45.100 -0.060 0.000 0.784 241 G HN 0.505 nan 8.290 nan 0.000 0.543 242 F N 1.186 121.000 119.950 -0.227 0.000 2.128 242 F HA 0.109 4.636 4.527 0.000 0.000 0.295 242 F C 2.436 178.051 175.800 -0.309 0.000 1.100 242 F CA 0.935 58.802 58.000 -0.223 0.000 1.260 242 F CB -0.088 38.814 39.000 -0.164 0.000 1.009 242 F HN 0.067 nan 8.300 nan 0.000 0.476 243 I N 0.520 120.852 120.570 -0.396 0.000 2.127 243 I HA -0.291 3.880 4.170 0.000 0.000 0.241 243 I C 2.772 178.251 176.117 -1.063 0.000 1.075 243 I CA 1.674 62.421 61.300 -0.921 0.000 1.334 243 I CB -1.388 35.856 38.000 -1.261 0.000 1.040 243 I HN 0.329 nan 8.210 nan 0.000 0.405 244 G N -0.066 108.094 108.800 -1.067 0.000 2.450 244 G HA2 -0.239 3.722 3.960 0.000 0.000 0.220 244 G HA3 -0.239 3.722 3.960 0.000 0.000 0.220 244 G C 1.672 176.300 174.900 -0.453 0.000 1.130 244 G CA 0.968 45.486 45.100 -0.970 0.000 0.760 244 G HN 0.406 nan 8.290 nan 0.000 0.557 245 S N 0.209 115.654 115.700 -0.425 0.000 2.488 245 S HA -0.100 4.370 4.470 0.000 0.000 0.246 245 S C 1.604 175.909 174.600 -0.491 0.000 0.992 245 S CA 0.651 58.595 58.200 -0.428 0.000 0.963 245 S CB -0.351 62.517 63.200 -0.554 0.000 0.754 245 S HN 0.624 nan 8.310 nan 0.000 0.519 246 H N 0.562 119.406 119.070 -0.378 0.000 2.526 246 H HA 0.194 4.750 4.556 0.001 0.000 0.274 246 H C 2.110 177.323 175.328 -0.191 0.000 0.999 246 H CA 0.744 56.633 56.048 -0.265 0.000 1.157 246 H CB 0.027 29.622 29.762 -0.277 0.000 1.407 246 H HN 0.524 nan 8.280 nan 0.000 0.568 247 S N 0.211 115.906 115.700 -0.008 0.000 2.399 247 S HA -0.097 4.373 4.470 0.000 0.000 0.231 247 S C 2.344 176.933 174.600 -0.018 0.000 1.022 247 S CA 0.936 59.173 58.200 0.062 0.000 0.983 247 S CB -0.588 62.695 63.200 0.139 0.000 0.803 247 S HN 0.406 nan 8.310 nan 0.000 0.480 248 G N 0.583 109.360 108.800 -0.039 0.000 2.598 248 G HA2 0.057 4.018 3.960 0.000 0.000 0.215 248 G HA3 0.057 4.018 3.960 0.000 0.000 0.215 248 G C 1.174 176.050 174.900 -0.040 0.000 1.131 248 G CA 0.653 45.732 45.100 -0.036 0.000 0.785 248 G HN 0.611 nan 8.290 nan 0.000 0.539 249 S N -1.133 114.540 115.700 -0.046 0.000 2.539 249 S HA 0.447 4.917 4.470 0.000 0.000 0.221 249 S C -0.121 174.446 174.600 -0.054 0.000 0.987 249 S CA -0.253 57.927 58.200 -0.033 0.000 0.929 249 S CB 1.178 64.378 63.200 0.000 0.000 0.832 249 S HN 0.117 nan 8.310 nan 0.000 0.492 250 V N 1.243 121.096 119.914 -0.101 0.000 3.114 250 V HA 0.365 4.485 4.120 0.000 0.000 0.308 250 V C -0.785 175.221 176.094 -0.147 0.000 1.168 250 V CA -0.587 61.618 62.300 -0.157 0.000 1.015 250 V CB 2.417 34.066 31.823 -0.289 0.000 1.050 250 V HN -0.052 nan 8.190 nan 0.000 0.433 251 Q N 1.380 121.109 119.800 -0.118 0.000 2.373 251 Q HA 0.311 4.652 4.340 0.000 0.000 0.210 251 Q C 0.402 176.382 176.000 -0.033 0.000 0.913 251 Q CA 0.798 56.569 55.803 -0.054 0.000 0.911 251 Q CB 0.765 29.487 28.738 -0.026 0.000 1.040 251 Q HN 0.880 nan 8.270 nan 0.000 0.521 252 S N -1.035 114.613 115.700 -0.087 0.000 2.596 252 S HA 0.702 5.172 4.470 0.000 0.000 0.270 252 S C -0.904 173.638 174.600 -0.096 0.000 1.155 252 S CA -0.902 57.315 58.200 0.028 0.000 0.827 252 S CB 0.974 64.243 63.200 0.115 0.000 1.130 252 S HN -0.016 nan 8.310 nan 0.000 0.467 253 F N 1.175 121.248 119.950 0.206 0.000 2.458 253 F HA 0.599 5.127 4.527 0.000 0.000 0.330 253 F C 0.720 176.758 175.800 0.397 0.000 1.082 253 F CA -0.376 57.776 58.000 0.252 0.000 0.995 253 F CB 1.463 40.554 39.000 0.152 0.000 1.170 253 F HN 0.754 nan 8.300 nan 0.000 0.478 254 H N 1.561 120.899 119.070 0.447 0.000 2.717 254 H HA 0.289 4.845 4.556 0.000 0.000 0.366 254 H C -2.092 173.554 175.328 0.530 0.000 1.132 254 H CA -0.732 55.563 56.048 0.412 0.000 1.180 254 H CB 1.890 31.809 29.762 0.261 0.000 1.678 254 H HN 0.744 nan 8.280 nan 0.000 0.537 255 W N 6.631 127.860 121.300 -0.118 0.000 3.405 255 W HA 0.428 5.088 4.660 0.001 0.000 0.329 255 W C -2.147 174.344 176.519 -0.048 0.000 1.142 255 W CA -1.110 56.259 57.345 0.041 0.000 1.235 255 W CB 0.636 30.265 29.460 0.280 0.000 1.341 255 W HN 0.436 nan 8.180 nan 0.000 0.481 256 I N 7.751 128.397 120.570 0.127 0.000 2.378 256 I HA 0.390 4.560 4.170 0.000 0.000 0.291 256 I C -0.020 176.017 176.117 -0.133 0.000 0.992 256 I CA -0.530 60.719 61.300 -0.086 0.000 1.154 256 I CB 1.307 39.260 38.000 -0.079 0.000 1.315 256 I HN 0.442 nan 8.210 nan 0.000 0.448 257 N N 4.061 122.588 118.700 -0.288 0.000 3.102 257 N HA 0.489 5.230 4.740 0.000 0.000 0.299 257 N C -0.456 174.981 175.510 -0.122 0.000 1.482 257 N CA -0.804 52.130 53.050 -0.194 0.000 0.785 257 N CB 0.611 38.880 38.487 -0.363 0.000 1.680 257 N HN 0.471 nan 8.380 nan 0.000 0.594 258 G N -0.852 107.927 108.800 -0.035 0.000 2.403 258 G HA2 0.407 4.368 3.960 0.000 0.000 0.259 258 G HA3 0.407 4.368 3.960 0.000 0.000 0.259 258 G C -1.295 173.665 174.900 0.100 0.000 1.244 258 G CA -0.354 44.774 45.100 0.046 0.000 0.849 258 G HN 0.404 nan 8.290 nan 0.000 0.532 259 F N 2.828 122.779 119.950 0.002 0.000 2.405 259 F HA 0.525 5.052 4.527 0.001 0.000 0.355 259 F C 0.842 176.669 175.800 0.045 0.000 1.121 259 F CA -1.209 56.788 58.000 -0.005 0.000 1.112 259 F CB 1.834 40.825 39.000 -0.015 0.000 1.126 259 F HN 0.466 nan 8.300 nan 0.000 0.481 260 A N 3.580 126.047 122.820 -0.588 0.000 2.348 260 A HA 0.510 4.830 4.320 0.000 0.000 0.224 260 A C 1.446 178.673 177.584 -0.595 0.000 1.227 260 A CA 0.538 52.330 52.037 -0.408 0.000 0.885 260 A CB -0.610 18.236 19.000 -0.257 0.000 0.933 260 A HN 1.561 nan 8.150 nan 0.000 0.506 261 G N -1.207 106.840 108.800 -1.256 0.000 2.284 261 G HA2 -0.133 3.828 3.960 0.000 0.000 0.201 261 G HA3 -0.133 3.828 3.960 0.000 0.000 0.201 261 G C 0.037 174.629 174.900 -0.513 0.000 0.998 261 G CA 0.221 44.894 45.100 -0.712 0.000 0.651 261 G HN 0.642 nan 8.290 nan 0.000 0.489 262 K N 1.925 121.986 120.400 -0.566 0.000 2.541 262 K HA 0.497 4.817 4.320 0.000 0.000 0.250 262 K C -0.635 175.961 176.600 -0.007 0.000 0.950 262 K CA -0.560 55.637 56.287 -0.150 0.000 0.805 262 K CB 1.355 33.782 32.500 -0.122 0.000 1.166 262 K HN 0.265 nan 8.250 nan 0.000 0.430 263 D N 3.820 124.358 120.400 0.230 0.000 2.387 263 D HA 0.072 4.712 4.640 0.000 0.000 0.251 263 D C 0.465 176.893 176.300 0.213 0.000 1.141 263 D CA -0.542 53.649 54.000 0.318 0.000 0.987 263 D CB 0.941 41.928 40.800 0.312 0.000 1.116 263 D HN 0.287 nan 8.370 nan 0.000 0.491 264 L N 0.723 122.104 121.223 0.265 0.000 2.591 264 L HA -0.010 4.330 4.340 0.000 0.000 0.228 264 L C 1.844 178.762 176.870 0.080 0.000 1.133 264 L CA 0.301 55.185 54.840 0.073 0.000 0.880 264 L CB -1.990 40.029 42.059 -0.066 0.000 1.033 264 L HN 0.467 nan 8.230 nan 0.000 0.450 265 N N 1.398 120.202 118.700 0.174 0.000 2.091 265 N HA -0.231 4.510 4.740 0.000 0.000 0.193 265 N C 1.400 176.938 175.510 0.046 0.000 1.021 265 N CA 1.770 54.893 53.050 0.122 0.000 0.862 265 N CB 0.055 38.630 38.487 0.146 0.000 1.018 265 N HN 0.511 nan 8.380 nan 0.000 0.429 266 D N -0.391 120.032 120.400 0.039 0.000 2.350 266 D HA -0.117 4.523 4.640 0.000 0.000 0.216 266 D C 0.933 177.232 176.300 -0.003 0.000 0.968 266 D CA 0.116 54.124 54.000 0.013 0.000 0.894 266 D CB -0.176 40.630 40.800 0.010 0.000 0.909 266 D HN 0.295 nan 8.370 nan 0.000 0.520 270 T N 3.999 118.530 114.554 -0.038 0.000 2.791 270 T HA 0.473 4.824 4.350 0.000 0.000 0.288 270 T C -2.761 171.926 174.700 -0.021 0.000 0.999 270 T CA -0.917 61.170 62.100 -0.023 0.000 0.952 270 T CB 2.258 71.114 68.868 -0.019 0.000 0.938 270 T HN 0.026 nan 8.240 nan 0.000 0.444 271 P HA 0.347 nan 4.420 nan 0.000 0.244 271 P C 0.126 177.443 177.300 0.029 0.000 1.769 271 P CA -0.286 62.822 63.100 0.013 0.000 1.102 271 P CB 0.072 31.785 31.700 0.021 0.000 1.937 272 A N 1.872 124.708 122.820 0.027 0.000 2.348 272 A HA 0.479 4.800 4.320 0.000 0.000 0.224 272 A C 1.169 178.805 177.584 0.087 0.000 1.227 272 A CA -0.020 52.045 52.037 0.047 0.000 0.885 272 A CB -0.003 19.019 19.000 0.037 0.000 0.933 272 A HN 0.484 nan 8.150 nan 0.000 0.506 273 A N 0.513 123.401 122.820 0.114 0.000 2.462 273 A HA 0.470 4.790 4.320 0.000 0.000 0.243 273 A C 0.696 178.371 177.584 0.153 0.000 1.076 273 A CA 0.456 52.607 52.037 0.189 0.000 0.773 273 A CB -0.015 19.170 19.000 0.307 0.000 1.010 273 A HN 0.728 nan 8.150 nan 0.000 0.493 274 S N 1.928 117.716 115.700 0.146 0.000 2.474 274 S HA 0.434 4.904 4.470 0.000 0.000 0.276 274 S C -0.428 174.202 174.600 0.050 0.000 1.227 274 S CA -0.504 57.748 58.200 0.088 0.000 1.050 274 S CB -0.104 63.147 63.200 0.086 0.000 0.939 274 S HN 0.731 nan 8.310 nan 0.000 0.490 275 V N 6.823 126.713 119.914 -0.040 0.000 2.357 275 V HA 0.452 4.572 4.120 0.000 0.000 0.284 275 V C -0.145 175.826 176.094 -0.204 0.000 1.018 275 V CA -0.725 61.453 62.300 -0.203 0.000 0.841 275 V CB 1.304 32.977 31.823 -0.251 0.000 0.991 275 V HN 0.837 nan 8.190 nan 0.000 0.437 276 K N 5.287 125.552 120.400 -0.224 0.000 2.221 276 K HA 0.676 4.996 4.320 0.000 0.000 0.258 276 K C -0.997 175.429 176.600 -0.290 0.000 0.944 276 K CA -0.625 55.543 56.287 -0.198 0.000 0.823 276 K CB 2.592 35.026 32.500 -0.111 0.000 1.113 276 K HN 0.512 nan 8.250 nan 0.000 0.431 277 I N 4.557 124.943 120.570 -0.307 0.000 2.315 277 I HA 0.218 4.388 4.170 0.000 0.000 0.291 277 I C -0.456 175.537 176.117 -0.206 0.000 1.006 277 I CA -0.668 60.403 61.300 -0.382 0.000 1.265 277 I CB 0.585 38.281 38.000 -0.506 0.000 1.387 277 I HN 0.309 nan 8.210 nan 0.000 0.475 278 L N 8.540 129.674 121.223 -0.148 0.000 2.307 278 L HA 0.510 4.850 4.340 0.000 0.000 0.284 278 L C -2.234 174.657 176.870 0.034 0.000 1.023 278 L CA -2.115 52.697 54.840 -0.048 0.000 0.810 278 L CB 1.190 43.227 42.059 -0.038 0.000 1.231 278 L HN 0.314 nan 8.230 nan 0.000 0.423 279 P HA 0.015 nan 4.420 nan 0.000 0.268 279 P C -1.409 176.092 177.300 0.335 0.000 1.205 279 P CA 0.268 63.446 63.100 0.131 0.000 0.771 279 P CB 0.811 32.492 31.700 -0.030 0.000 0.858 284 R N 0.763 121.169 120.500 -0.156 0.000 2.651 284 R HA 0.773 5.113 4.340 0.000 0.000 0.278 284 R C -1.355 174.767 176.300 -0.296 0.000 1.010 284 R CA -0.793 55.108 56.100 -0.332 0.000 0.896 284 R CB 1.058 30.967 30.300 -0.651 0.000 1.211 284 R HN 0.554 nan 8.270 nan 0.000 0.456 285 I N 3.132 123.504 120.570 -0.329 0.000 2.618 285 I HA -0.046 4.124 4.170 0.000 0.000 0.284 285 I C 0.886 176.868 176.117 -0.226 0.000 1.146 285 I CA -0.090 60.958 61.300 -0.420 0.000 1.425 285 I CB 1.202 38.876 38.000 -0.544 0.000 1.383 285 I HN 0.532 nan 8.210 nan 0.000 0.562 286 V N 4.210 124.042 119.914 -0.137 0.000 2.502 286 V HA 0.046 4.166 4.120 0.000 0.000 0.234 286 V C 0.966 177.214 176.094 0.256 0.000 1.072 286 V CA 0.783 63.127 62.300 0.072 0.000 1.094 286 V CB -0.157 31.691 31.823 0.041 0.000 0.761 286 V HN 0.651 nan 8.190 nan 0.000 0.489 287 E N 1.370 121.642 120.200 0.120 0.000 1.986 287 E HA 0.155 4.506 4.350 0.000 0.000 0.264 287 E C 0.628 177.244 176.600 0.026 0.000 1.023 287 E CA -0.254 56.234 56.400 0.146 0.000 0.834 287 E CB 1.282 31.000 29.700 0.030 0.000 1.111 287 E HN 0.245 nan 8.360 nan 0.000 0.417 288 L N 4.821 126.018 121.223 -0.044 0.000 2.042 288 L HA -0.223 4.118 4.340 0.000 0.000 0.210 288 L C 2.295 178.974 176.870 -0.318 0.000 1.076 288 L CA 2.136 56.822 54.840 -0.258 0.000 0.749 288 L CB -0.364 41.410 42.059 -0.476 0.000 0.893 288 L HN 0.558 nan 8.230 nan 0.000 0.432 289 Q N -1.326 118.256 119.800 -0.363 0.000 2.061 289 Q HA -0.221 4.119 4.340 0.000 0.000 0.204 289 Q C 1.916 177.866 176.000 -0.082 0.000 0.984 289 Q CA 2.722 58.357 55.803 -0.280 0.000 0.846 289 Q CB -0.195 28.496 28.738 -0.078 0.000 0.902 289 Q HN 0.573 nan 8.270 nan 0.000 0.421 290 T N 0.473 115.025 114.554 -0.003 0.000 2.746 290 T HA -0.144 4.207 4.350 0.000 0.000 0.267 290 T C 1.258 176.023 174.700 0.109 0.000 1.039 290 T CA 1.223 63.358 62.100 0.057 0.000 1.142 290 T CB -0.444 68.466 68.868 0.070 0.000 0.866 290 T HN 0.373 nan 8.240 nan 0.000 0.444 291 F N 1.698 121.587 119.950 -0.102 0.000 2.102 291 F HA 0.001 4.528 4.527 0.001 0.000 0.298 291 F C 1.887 177.652 175.800 -0.059 0.000 1.105 291 F CA 1.200 59.099 58.000 -0.168 0.000 1.239 291 F CB -0.449 38.315 39.000 -0.393 0.000 0.991 291 F HN 0.036 nan 8.300 nan 0.000 0.474 292 L N -0.110 120.971 121.223 -0.238 0.000 2.109 292 L HA -0.137 4.203 4.340 0.000 0.000 0.207 292 L C 2.343 179.177 176.870 -0.059 0.000 1.086 292 L CA 1.283 55.939 54.840 -0.306 0.000 0.760 292 L CB -0.730 41.136 42.059 -0.322 0.000 0.910 292 L HN 0.164 nan 8.230 nan 0.000 0.437 293 E N 0.433 120.623 120.200 -0.017 0.000 2.118 293 E HA -0.233 4.117 4.350 0.000 0.000 0.195 293 E C 1.819 178.448 176.600 0.048 0.000 0.992 293 E CA 1.190 57.615 56.400 0.042 0.000 0.804 293 E CB 0.051 29.773 29.700 0.038 0.000 0.741 293 E HN 0.425 nan 8.360 nan 0.000 0.458 294 K N -0.205 120.210 120.400 0.026 0.000 2.426 294 K HA 0.009 4.330 4.320 0.000 0.000 0.193 294 K C 0.071 176.624 176.600 -0.079 0.000 1.028 294 K CA -0.219 56.050 56.287 -0.031 0.000 1.047 294 K CB 0.152 32.607 32.500 -0.074 0.000 0.821 294 K HN 0.099 nan 8.250 nan 0.000 0.513 295 Y N 3.828 123.969 120.300 -0.266 0.000 2.620 295 Y HA -0.006 4.544 4.550 0.001 0.000 0.330 295 Y C -2.004 173.675 175.900 -0.368 0.000 1.186 295 Y CA -2.058 55.764 58.100 -0.463 0.000 1.467 295 Y CB 0.647 38.537 38.460 -0.949 0.000 1.262 295 Y HN -0.011 nan 8.280 nan 0.000 0.550 296 P HA 0.056 nan 4.420 nan 0.000 0.231 296 P C -0.964 176.250 177.300 -0.143 0.000 1.811 296 P CA 0.134 63.089 63.100 -0.243 0.000 1.051 296 P CB -0.821 30.734 31.700 -0.241 0.000 1.951 297 F N 0.880 120.947 119.950 0.195 0.000 2.545 297 F HA 0.048 4.576 4.527 0.000 0.000 0.348 297 F C 1.699 177.565 175.800 0.111 0.000 1.163 297 F CA 0.386 58.529 58.000 0.238 0.000 1.331 297 F CB 0.192 39.328 39.000 0.227 0.000 1.138 297 F HN 0.157 nan 8.300 nan 0.000 0.602 298 Q N 1.238 121.221 119.800 0.304 0.000 2.392 298 Q HA 0.154 4.494 4.340 0.000 0.000 0.262 298 Q C 0.129 176.222 176.000 0.154 0.000 1.003 298 Q CA -0.235 55.666 55.803 0.163 0.000 0.888 298 Q CB 0.922 29.737 28.738 0.128 0.000 1.260 298 Q HN 0.759 nan 8.270 nan 0.000 0.435 299 S N -0.063 115.697 115.700 0.101 0.000 2.600 299 S HA 0.737 5.208 4.470 0.000 0.000 0.265 299 S C 0.518 175.161 174.600 0.072 0.000 1.325 299 S CA 0.034 58.283 58.200 0.082 0.000 1.002 299 S CB 1.316 64.550 63.200 0.056 0.000 0.921 299 S HN 0.876 nan 8.310 nan 0.000 0.554 300 G N 0.416 109.251 108.800 0.058 0.000 2.452 300 G HA2 0.300 4.260 3.960 0.000 0.000 0.224 300 G HA3 0.300 4.260 3.960 0.000 0.000 0.224 300 G C -1.777 173.145 174.900 0.037 0.000 1.208 300 G CA -0.889 44.241 45.100 0.050 0.000 0.946 300 G HN 0.708 nan 8.290 nan 0.000 0.481 301 E N 0.320 120.538 120.200 0.030 0.000 2.280 301 E HA 0.396 4.747 4.350 0.000 0.000 0.264 301 E C -0.335 176.269 176.600 0.006 0.000 1.064 301 E CA -0.747 55.661 56.400 0.014 0.000 0.900 301 E CB 1.642 31.345 29.700 0.005 0.000 1.123 301 E HN 0.428 nan 8.360 nan 0.000 0.418 302 K N 1.782 122.178 120.400 -0.007 0.000 2.419 302 K HA -0.017 4.304 4.320 0.000 0.000 0.282 302 K C -0.729 175.839 176.600 -0.053 0.000 1.056 302 K CA 0.688 56.962 56.287 -0.022 0.000 1.035 302 K CB 0.269 32.757 32.500 -0.021 0.000 0.921 302 K HN 0.346 nan 8.250 nan 0.000 0.472 303 E N 2.039 122.193 120.200 -0.077 0.000 2.288 303 E HA 0.272 4.622 4.350 0.000 0.000 0.268 303 E C -1.169 175.287 176.600 -0.240 0.000 0.885 303 E CA -0.941 55.342 56.400 -0.194 0.000 0.767 303 E CB 2.318 31.874 29.700 -0.240 0.000 1.220 303 E HN 0.388 nan 8.360 nan 0.000 0.427 304 T N 1.674 116.020 114.554 -0.347 0.000 2.797 304 T HA 0.476 4.827 4.350 0.000 0.000 0.279 304 T C -1.309 173.140 174.700 -0.418 0.000 0.991 304 T CA -0.511 61.443 62.100 -0.243 0.000 0.979 304 T CB 0.301 69.094 68.868 -0.125 0.000 0.943 304 T HN 0.251 nan 8.240 nan 0.000 0.444 305 Y N 0.717 121.013 120.300 -0.006 0.000 2.499 305 Y HA 0.559 5.110 4.550 0.000 0.000 0.347 305 Y C 0.444 176.370 175.900 0.044 0.000 0.987 305 Y CA -1.052 57.064 58.100 0.025 0.000 1.044 305 Y CB 1.938 40.419 38.460 0.034 0.000 1.245 305 Y HN 0.561 nan 8.280 nan 0.000 0.461 306 S N 4.019 119.849 115.700 0.216 0.000 2.429 306 S HA 0.685 5.155 4.470 0.000 0.000 0.302 306 S C -1.315 173.406 174.600 0.201 0.000 1.115 306 S CA -0.561 57.741 58.200 0.170 0.000 1.095 306 S CB -0.164 63.107 63.200 0.119 0.000 0.987 306 S HN 0.622 nan 8.310 nan 0.000 0.474 307 L N 4.149 125.473 121.223 0.167 0.000 2.319 307 L HA 0.532 4.872 4.340 0.000 0.000 0.281 307 L C 0.085 177.061 176.870 0.177 0.000 1.005 307 L CA -0.527 54.382 54.840 0.115 0.000 0.828 307 L CB 1.625 43.526 42.059 -0.263 0.000 1.227 307 L HN 0.705 nan 8.230 nan 0.000 0.415 308 E N 3.358 123.737 120.200 0.298 0.000 2.167 308 E HA 0.412 4.762 4.350 0.000 0.000 0.284 308 E C -1.093 175.746 176.600 0.399 0.000 1.016 308 E CA -0.791 55.778 56.400 0.282 0.000 0.817 308 E CB 1.115 30.947 29.700 0.220 0.000 1.080 308 E HN 0.345 nan 8.360 nan 0.000 0.397 309 I N 4.105 124.863 120.570 0.312 0.000 2.354 309 I HA 0.163 4.333 4.170 0.000 0.000 0.292 309 I C 0.064 176.319 176.117 0.231 0.000 0.989 309 I CA -0.388 61.109 61.300 0.328 0.000 1.188 309 I CB 1.556 39.657 38.000 0.168 0.000 1.342 309 I HN 0.522 nan 8.210 nan 0.000 0.457 310 E N 5.141 125.471 120.200 0.217 0.000 2.156 310 E HA 0.435 4.785 4.350 0.000 0.000 0.279 310 E C -1.335 175.311 176.600 0.075 0.000 0.965 310 E CA -0.361 56.105 56.400 0.109 0.000 0.789 310 E CB 1.044 30.793 29.700 0.082 0.000 1.098 310 E HN 0.489 nan 8.360 nan 0.000 0.397 311 D N 3.176 123.583 120.400 0.011 0.000 2.474 311 D HA 0.003 4.644 4.640 0.000 0.000 0.234 311 D C 0.359 176.610 176.300 -0.081 0.000 1.323 311 D CA -0.058 53.918 54.000 -0.040 0.000 0.915 311 D CB 0.564 41.302 40.800 -0.104 0.000 1.487 311 D HN 0.367 nan 8.370 nan 0.000 0.524 312 S N 1.670 117.357 115.700 -0.021 0.000 2.402 312 S HA -0.146 4.324 4.470 0.000 0.000 0.229 312 S C 1.458 175.976 174.600 -0.136 0.000 1.021 312 S CA 0.753 58.913 58.200 -0.066 0.000 0.974 312 S CB -0.329 62.853 63.200 -0.031 0.000 0.800 312 S HN 0.441 nan 8.310 nan 0.000 0.484 313 Y N 1.813 122.064 120.300 -0.081 0.000 2.490 313 Y HA 0.415 4.965 4.550 0.000 0.000 0.281 313 Y C 1.619 177.369 175.900 -0.250 0.000 1.174 313 Y CA 0.051 58.119 58.100 -0.052 0.000 1.295 313 Y CB 0.248 38.761 38.460 0.089 0.000 1.062 313 Y HN 0.469 nan 8.280 nan 0.000 0.522 314 G N 0.374 108.924 108.800 -0.416 0.000 4.782 314 G HA2 0.177 4.137 3.960 0.000 0.000 0.327 314 G HA3 0.177 4.137 3.960 0.000 0.000 0.327 314 G C -1.997 172.197 174.900 -1.176 0.000 1.466 314 G CA -0.999 43.316 45.100 -1.308 0.000 1.017 314 G HN -0.056 nan 8.290 nan 0.000 0.543 315 P HA -0.150 nan 4.420 nan 0.000 0.219 315 P C 1.490 178.702 177.300 -0.146 0.000 1.146 315 P CA 0.788 63.716 63.100 -0.288 0.000 0.808 315 P CB 0.001 31.651 31.700 -0.083 0.000 0.779 316 W N 0.653 122.005 121.300 0.087 0.000 2.421 316 W HA -0.016 4.645 4.660 0.001 0.000 0.270 316 W C 1.275 177.937 176.519 0.239 0.000 1.233 316 W CA 0.644 58.064 57.345 0.126 0.000 1.226 316 W CB -2.104 27.419 29.460 0.106 0.000 1.121 316 W HN -0.147 nan 8.180 nan 0.000 0.579 317 N N 0.671 119.247 118.700 -0.206 0.000 2.424 317 N HA -0.020 4.721 4.740 0.000 0.000 0.178 317 N C -0.013 175.654 175.510 0.263 0.000 1.060 317 N CA 0.531 53.637 53.050 0.092 0.000 0.901 317 N CB -0.197 38.175 38.487 -0.192 0.000 0.979 317 N HN 0.413 nan 8.380 nan 0.000 0.451 318 E N 0.286 120.535 120.200 0.081 0.000 2.366 318 E HA 0.424 4.775 4.350 0.000 0.000 0.266 318 E C 0.687 177.328 176.600 0.068 0.000 1.051 318 E CA -0.063 56.384 56.400 0.078 0.000 0.884 318 E CB 0.833 30.528 29.700 -0.007 0.000 1.006 318 E HN 0.237 nan 8.360 nan 0.000 0.417 319 G N 1.347 110.183 108.800 0.060 0.000 2.422 319 G HA2 -0.162 3.798 3.960 0.000 0.000 0.607 319 G HA3 -0.162 3.798 3.960 0.000 0.000 0.607 319 G C -0.831 174.047 174.900 -0.037 0.000 1.270 319 G CA -0.972 44.103 45.100 -0.042 0.000 0.992 319 G HN 0.435 nan 8.290 nan 0.000 0.499 320 I N 0.095 120.587 120.570 -0.131 0.000 2.396 320 I HA 0.562 4.732 4.170 0.000 0.000 0.292 320 I C -0.258 175.738 176.117 -0.201 0.000 0.999 320 I CA -0.290 60.982 61.300 -0.046 0.000 1.310 320 I CB 1.098 39.087 38.000 -0.018 0.000 1.404 320 I HN 0.494 nan 8.210 nan 0.000 0.496 321 W N 3.601 124.884 121.300 -0.029 0.000 2.761 321 W HA 0.507 5.167 4.660 0.000 0.000 0.340 321 W C -0.412 176.098 176.519 -0.015 0.000 1.072 321 W CA -0.531 56.794 57.345 -0.034 0.000 1.215 321 W CB 1.704 31.121 29.460 -0.073 0.000 1.420 321 W HN 0.178 nan 8.180 nan 0.000 0.519 322 T N 3.986 118.672 114.554 0.220 0.000 2.771 322 T HA 0.546 4.897 4.350 0.000 0.000 0.281 322 T C -0.892 173.899 174.700 0.151 0.000 0.982 322 T CA -0.476 61.711 62.100 0.146 0.000 0.978 322 T CB 0.680 69.598 68.868 0.082 0.000 0.930 322 T HN 0.372 nan 8.240 nan 0.000 0.447 323 I N 3.652 124.298 120.570 0.126 0.000 2.436 323 I HA 0.554 4.725 4.170 0.000 0.000 0.289 323 I C -0.299 175.856 176.117 0.064 0.000 1.010 323 I CA -0.504 60.846 61.300 0.084 0.000 1.098 323 I CB 1.568 39.596 38.000 0.047 0.000 1.266 323 I HN 0.663 nan 8.210 nan 0.000 0.434 324 T N 6.649 121.217 114.554 0.023 0.000 2.786 324 T HA 0.575 4.925 4.350 0.000 0.000 0.283 324 T C -0.537 174.138 174.700 -0.040 0.000 0.992 324 T CA -0.561 61.534 62.100 -0.008 0.000 0.954 324 T CB 0.760 69.622 68.868 -0.010 0.000 0.934 324 T HN 0.420 nan 8.240 nan 0.000 0.440 325 I N 4.998 125.522 120.570 -0.078 0.000 2.321 325 I HA 0.314 4.485 4.170 0.000 0.000 0.291 325 I C 0.469 176.559 176.117 -0.044 0.000 0.998 325 I CA -0.900 60.316 61.300 -0.139 0.000 1.227 325 I CB 1.088 38.903 38.000 -0.309 0.000 1.368 325 I HN 0.778 nan 8.210 nan 0.000 0.466 326 D N 4.347 124.745 120.400 -0.003 0.000 2.447 326 D HA 0.070 4.711 4.640 0.000 0.000 0.265 326 D C 0.687 177.003 176.300 0.026 0.000 1.250 326 D CA -0.290 53.717 54.000 0.012 0.000 1.046 326 D CB 0.706 41.519 40.800 0.022 0.000 1.095 326 D HN 0.425 nan 8.370 nan 0.000 0.555 327 E N -0.932 119.283 120.200 0.026 0.000 2.150 327 E HA -0.076 4.274 4.350 0.000 0.000 0.193 327 E C 0.795 177.423 176.600 0.046 0.000 0.985 327 E CA 1.073 57.492 56.400 0.032 0.000 0.814 327 E CB -0.104 29.609 29.700 0.023 0.000 0.752 327 E HN 0.395 nan 8.360 nan 0.000 0.466 328 Q N -0.852 118.977 119.800 0.049 0.000 2.422 328 Q HA 0.341 4.681 4.340 0.000 0.000 0.179 328 Q C 1.399 177.457 176.000 0.096 0.000 1.119 328 Q CA 0.744 56.584 55.803 0.060 0.000 1.063 328 Q CB -0.121 28.647 28.738 0.049 0.000 2.493 328 Q HN 0.242 nan 8.270 nan 0.000 0.545 329 G N -0.536 108.338 108.800 0.124 0.000 3.434 329 G HA2 0.137 4.098 3.960 0.000 0.000 0.258 329 G HA3 0.137 4.098 3.960 0.000 0.000 0.258 329 G C -0.550 174.515 174.900 0.274 0.000 1.128 329 G CA -0.221 45.016 45.100 0.227 0.000 0.792 329 G HN 0.074 nan 8.290 nan 0.000 0.539 330 K N 1.326 121.825 120.400 0.164 0.000 2.312 330 K HA 0.565 4.885 4.320 0.000 0.000 0.287 330 K C 0.189 176.871 176.600 0.137 0.000 1.062 330 K CA -0.060 56.319 56.287 0.152 0.000 0.934 330 K CB 1.717 34.269 32.500 0.085 0.000 1.027 330 K HN 0.130 nan 8.250 nan 0.000 0.478 331 A N 2.329 125.263 122.820 0.191 0.000 2.301 331 A HA 0.451 4.771 4.320 0.000 0.000 0.312 331 A C -0.119 177.515 177.584 0.083 0.000 1.182 331 A CA -0.692 51.407 52.037 0.105 0.000 0.826 331 A CB 0.465 19.578 19.000 0.188 0.000 1.134 331 A HN 0.722 nan 8.150 nan 0.000 0.501 332 T N -0.471 114.115 114.554 0.053 0.000 2.829 332 T HA 0.616 4.967 4.350 0.000 0.000 0.282 332 T C -0.522 174.220 174.700 0.069 0.000 0.990 332 T CA -0.597 61.538 62.100 0.058 0.000 1.028 332 T CB 1.055 69.951 68.868 0.047 0.000 0.951 332 T HN 0.557 nan 8.240 nan 0.000 0.460 333 V N 3.958 123.927 119.914 0.091 0.000 2.407 333 V HA 0.664 4.785 4.120 0.000 0.000 0.291 333 V C 0.279 176.507 176.094 0.224 0.000 1.018 333 V CA -0.786 61.594 62.300 0.134 0.000 0.842 333 V CB 1.461 33.320 31.823 0.060 0.000 0.996 333 V HN 1.255 nan 8.190 nan 0.000 0.426 334 T N 1.314 116.023 114.554 0.258 0.000 2.876 334 T HA 0.591 4.941 4.350 0.000 0.000 0.289 334 T C -0.696 174.105 174.700 0.167 0.000 1.014 334 T CA -0.914 61.308 62.100 0.204 0.000 0.986 334 T CB 2.172 71.094 68.868 0.091 0.000 1.021 334 T HN 0.491 nan 8.240 nan 0.000 0.458 335 K N 0.941 121.278 120.400 -0.104 0.000 2.205 335 K HA 0.588 4.908 4.320 0.000 0.000 0.279 335 K C 0.354 176.758 176.600 -0.326 0.000 1.027 335 K CA 0.362 56.293 56.287 -0.593 0.000 0.932 335 K CB 0.312 32.292 32.500 -0.866 0.000 1.032 335 K HN 1.226 nan 8.250 nan 0.000 0.466 336 G N 1.126 109.731 108.800 -0.325 0.000 2.428 336 G HA2 0.203 4.164 3.960 0.000 0.000 0.681 336 G HA3 0.203 4.164 3.960 0.000 0.000 0.681 336 G C -1.132 173.709 174.900 -0.099 0.000 1.340 336 G CA -0.476 44.519 45.100 -0.176 0.000 0.915 336 G HN 0.769 nan 8.290 nan 0.000 0.645 337 A N 0.352 123.135 122.820 -0.062 0.000 2.336 337 A HA 1.237 5.558 4.320 0.000 0.000 0.291 337 A C 1.312 178.887 177.584 -0.016 0.000 1.266 337 A CA 1.529 53.553 52.037 -0.022 0.000 0.891 337 A CB 0.384 19.377 19.000 -0.012 0.000 1.366 337 A HN 3.147 nan 8.150 nan 0.000 0.507 344 A N -0.456 122.383 122.820 0.031 0.000 2.974 344 A HA 0.500 4.820 4.320 0.000 0.000 0.272 344 A C 0.117 177.774 177.584 0.122 0.000 1.343 344 A CA 0.290 52.356 52.037 0.049 0.000 0.729 344 A CB -1.990 16.997 19.000 -0.023 0.000 1.087 344 A HN 2.378 nan 8.150 nan 0.000 0.398 345 A N 1.971 124.863 122.820 0.121 0.000 2.288 345 A HA 0.791 5.111 4.320 0.000 0.000 0.320 345 A C -0.371 177.319 177.584 0.177 0.000 1.217 345 A CA -0.404 51.720 52.037 0.145 0.000 0.840 345 A CB 0.521 19.584 19.000 0.104 0.000 1.179 345 A HN 1.450 nan 8.150 nan 0.000 0.504 346 L N 1.593 122.966 121.223 0.250 0.000 2.342 346 L HA 0.663 5.003 4.340 0.000 0.000 0.271 346 L C 0.078 177.169 176.870 0.369 0.000 1.008 346 L CA -0.379 54.634 54.840 0.287 0.000 0.818 346 L CB 1.878 44.182 42.059 0.409 0.000 1.296 346 L HN 0.802 nan 8.230 nan 0.000 0.427 347 K N 1.567 122.116 120.400 0.249 0.000 2.482 347 K HA 0.903 5.223 4.320 0.000 0.000 0.251 347 K C -1.681 174.931 176.600 0.020 0.000 0.936 347 K CA -0.397 56.046 56.287 0.261 0.000 0.791 347 K CB 2.297 34.885 32.500 0.145 0.000 1.213 347 K HN 0.768 nan 8.250 nan 0.000 0.428 348 A N 2.353 125.191 122.820 0.030 0.000 2.599 348 A HA 0.452 4.772 4.320 0.000 0.000 0.290 348 A C -1.877 175.682 177.584 -0.042 0.000 1.101 348 A CA -0.854 50.964 52.037 -0.366 0.000 0.674 348 A CB 1.095 19.320 19.000 -1.291 0.000 1.277 348 A HN 0.848 nan 8.150 nan 0.000 0.419 349 D N -0.426 119.923 120.400 -0.086 0.000 2.348 349 D HA 0.365 5.005 4.640 0.000 0.000 0.249 349 D C 0.869 177.258 176.300 0.148 0.000 1.110 349 D CA -0.607 53.434 54.000 0.068 0.000 0.967 349 D CB 0.519 41.328 40.800 0.016 0.000 1.139 349 D HN 0.317 nan 8.370 nan 0.000 0.466 350 I N 0.117 120.801 120.570 0.191 0.000 2.315 350 I HA -0.307 3.863 4.170 0.000 0.000 0.251 350 I C 1.952 178.132 176.117 0.105 0.000 1.125 350 I CA 1.743 63.160 61.300 0.195 0.000 1.392 350 I CB -0.407 37.621 38.000 0.047 0.000 1.065 350 I HN 0.356 nan 8.210 nan 0.000 0.424 351 Q N -0.493 119.328 119.800 0.034 0.000 2.030 351 Q HA -0.182 4.159 4.340 0.000 0.000 0.204 351 Q C 2.241 178.232 176.000 -0.014 0.000 0.986 351 Q CA 2.759 58.564 55.803 0.003 0.000 0.843 351 Q CB -0.783 27.954 28.738 -0.001 0.000 0.904 351 Q HN 0.455 nan 8.270 nan 0.000 0.420 352 T N -0.410 114.092 114.554 -0.086 0.000 2.746 352 T HA -0.168 4.182 4.350 0.000 0.000 0.267 352 T C 1.238 175.839 174.700 -0.165 0.000 1.039 352 T CA 1.307 63.297 62.100 -0.183 0.000 1.142 352 T CB -0.472 68.191 68.868 -0.342 0.000 0.866 352 T HN 0.409 nan 8.240 nan 0.000 0.444 353 W N 1.492 122.779 121.300 -0.022 0.000 2.363 353 W HA -0.132 4.528 4.660 0.001 0.000 0.296 353 W C 2.779 179.341 176.519 0.072 0.000 1.212 353 W CA 0.861 58.207 57.345 0.002 0.000 1.260 353 W CB -0.840 28.695 29.460 0.126 0.000 1.131 353 W HN 0.173 nan 8.180 nan 0.000 0.530 354 T N 0.121 114.809 114.554 0.223 0.000 2.708 354 T HA -0.263 4.087 4.350 0.000 0.000 0.266 354 T C 1.581 176.335 174.700 0.089 0.000 1.037 354 T CA 1.650 63.799 62.100 0.082 0.000 1.146 354 T CB -0.524 68.321 68.868 -0.038 0.000 0.865 354 T HN 0.256 nan 8.240 nan 0.000 0.435 355 Q N 0.192 120.028 119.800 0.060 0.000 2.084 355 Q HA -0.059 4.281 4.340 0.000 0.000 0.202 355 Q C 2.388 178.459 176.000 0.118 0.000 0.978 355 Q CA 1.067 56.930 55.803 0.101 0.000 0.844 355 Q CB -0.386 28.426 28.738 0.125 0.000 0.898 355 Q HN 0.337 nan 8.270 nan 0.000 0.426 356 L N -0.202 121.040 121.223 0.031 0.000 1.976 356 L HA -0.150 4.190 4.340 0.000 0.000 0.209 356 L C 1.933 178.832 176.870 0.049 0.000 1.071 356 L CA 1.781 56.588 54.840 -0.056 0.000 0.746 356 L CB -0.445 41.453 42.059 -0.269 0.000 0.890 356 L HN 0.104 nan 8.230 nan 0.000 0.432 357 F N -1.687 118.412 119.950 0.249 0.000 2.259 357 F HA -0.136 4.392 4.527 0.001 0.000 0.298 357 F C 1.977 178.110 175.800 0.554 0.000 1.088 357 F CA 0.197 58.404 58.000 0.343 0.000 1.358 357 F CB -0.101 39.101 39.000 0.338 0.000 1.040 357 F HN 0.091 nan 8.300 nan 0.000 0.505 358 L N -0.501 121.047 121.223 0.541 0.000 2.395 358 L HA 0.173 4.513 4.340 0.000 0.000 0.218 358 L C 1.833 179.044 176.870 0.569 0.000 1.130 358 L CA 1.267 56.443 54.840 0.560 0.000 0.826 358 L CB -1.159 41.045 42.059 0.242 0.000 0.941 358 L HN 0.300 nan 8.230 nan 0.000 0.451 359 G N -2.571 106.461 108.800 0.386 0.000 2.138 359 G HA2 -0.380 3.580 3.960 0.000 0.000 0.193 359 G HA3 -0.380 3.580 3.960 0.000 0.000 0.193 359 G C 0.804 175.823 174.900 0.198 0.000 0.998 359 G CA 0.275 45.535 45.100 0.266 0.000 0.668 359 G HN 0.282 nan 8.290 nan 0.000 0.516 360 Y N 1.070 121.395 120.300 0.041 0.000 2.206 360 Y HA 0.371 4.922 4.550 0.000 0.000 0.292 360 Y C 1.451 177.349 175.900 -0.002 0.000 1.123 360 Y CA 1.321 59.413 58.100 -0.014 0.000 1.142 360 Y CB 0.288 38.703 38.460 -0.076 0.000 1.006 360 Y HN 0.207 nan 8.280 nan 0.000 0.518 361 R N 0.348 120.842 120.500 -0.009 0.000 2.803 361 R HA 0.342 4.682 4.340 0.000 0.000 0.276 361 R C -0.104 176.180 176.300 -0.027 0.000 0.978 361 R CA -0.311 55.736 56.100 -0.088 0.000 0.939 361 R CB 1.246 31.517 30.300 -0.048 0.000 1.179 361 R HN 0.243 nan 8.270 nan 0.000 0.472 362 S N 0.028 115.707 115.700 -0.035 0.000 2.603 362 S HA 0.281 4.752 4.470 0.000 0.000 0.268 362 S C 1.249 175.833 174.600 -0.027 0.000 1.317 362 S CA -0.057 58.130 58.200 -0.022 0.000 1.012 362 S CB 1.497 64.682 63.200 -0.025 0.000 0.926 362 S HN 0.654 nan 8.310 nan 0.000 0.539 363 A N 1.074 123.873 122.820 -0.034 0.000 1.933 363 A HA -0.081 4.239 4.320 0.000 0.000 0.218 363 A C 2.150 179.717 177.584 -0.027 0.000 1.175 363 A CA 1.498 53.504 52.037 -0.051 0.000 0.628 363 A CB -1.066 17.905 19.000 -0.049 0.000 0.814 363 A HN 0.983 nan 8.150 nan 0.000 0.444 364 E N -0.664 119.527 120.200 -0.015 0.000 2.049 364 E HA -0.189 4.162 4.350 0.000 0.000 0.198 364 E C 2.092 178.696 176.600 0.006 0.000 1.007 364 E CA 1.967 58.362 56.400 -0.007 0.000 0.809 364 E CB -0.205 29.481 29.700 -0.023 0.000 0.749 364 E HN 0.581 nan 8.360 nan 0.000 0.450 365 T N 1.546 116.102 114.554 0.004 0.000 2.708 365 T HA -0.121 4.230 4.350 0.000 0.000 0.266 365 T C 1.999 176.788 174.700 0.147 0.000 1.037 365 T CA 0.991 63.127 62.100 0.059 0.000 1.146 365 T CB -0.204 68.707 68.868 0.073 0.000 0.865 365 T HN 0.128 nan 8.240 nan 0.000 0.435 366 L N 0.767 122.034 121.223 0.073 0.000 2.191 366 L HA -0.063 4.277 4.340 0.000 0.000 0.212 366 L C 2.788 179.670 176.870 0.019 0.000 1.103 366 L CA 0.831 55.699 54.840 0.046 0.000 0.769 366 L CB -0.442 41.578 42.059 -0.064 0.000 0.908 366 L HN 0.258 nan 8.230 nan 0.000 0.438 367 S N -0.531 115.171 115.700 0.002 0.000 2.395 367 S HA -0.143 4.327 4.470 0.000 0.000 0.225 367 S C 1.905 176.499 174.600 -0.010 0.000 1.027 367 S CA 0.666 58.856 58.200 -0.018 0.000 0.965 367 S CB -0.205 62.987 63.200 -0.013 0.000 0.812 367 S HN 0.415 nan 8.310 nan 0.000 0.482 368 F N 1.132 120.991 119.950 -0.150 0.000 2.113 368 F HA -0.019 4.509 4.527 0.001 0.000 0.297 368 F C 1.352 176.973 175.800 -0.298 0.000 1.103 368 F CA 1.382 59.221 58.000 -0.268 0.000 1.248 368 F CB -0.329 38.414 39.000 -0.428 0.000 0.999 368 F HN 0.248 nan 8.300 nan 0.000 0.475 369 Y N 1.227 121.583 120.300 0.093 0.000 2.553 369 Y HA 0.078 4.629 4.550 0.000 0.000 0.303 369 Y C 0.777 176.627 175.900 -0.084 0.000 1.194 369 Y CA 0.402 58.498 58.100 -0.007 0.000 1.305 369 Y CB -1.101 37.401 38.460 0.071 0.000 1.045 369 Y HN 0.235 nan 8.280 nan 0.000 0.514 370 E N -1.190 119.001 120.200 -0.015 0.000 2.868 370 E HA -0.310 4.041 4.350 0.000 0.000 0.278 370 E C 1.197 177.772 176.600 -0.042 0.000 1.009 370 E CA 0.378 56.745 56.400 -0.055 0.000 0.856 370 E CB -0.998 28.657 29.700 -0.075 0.000 1.428 370 E HN 0.584 nan 8.360 nan 0.000 0.423 371 R N -0.152 120.326 120.500 -0.036 0.000 2.140 371 R HA 0.082 4.423 4.340 0.000 0.000 0.213 371 R C 0.910 177.101 176.300 -0.182 0.000 1.059 371 R CA 0.363 56.409 56.100 -0.090 0.000 1.000 371 R CB 0.153 30.408 30.300 -0.075 0.000 0.910 371 R HN -0.003 nan 8.270 nan 0.000 0.455 372 L N 2.609 123.717 121.223 -0.192 0.000 2.259 372 L HA 0.188 4.528 4.340 0.000 0.000 0.288 372 L C -0.754 176.027 176.870 -0.148 0.000 1.051 372 L CA -0.023 54.655 54.840 -0.270 0.000 0.824 372 L CB 1.121 43.010 42.059 -0.283 0.000 1.206 372 L HN -0.017 nan 8.230 nan 0.000 0.429 373 Q N 3.510 123.242 119.800 -0.113 0.000 2.230 373 Q HA 0.820 5.160 4.340 0.000 0.000 0.248 373 Q C 0.120 176.116 176.000 -0.007 0.000 0.915 373 Q CA -0.230 55.544 55.803 -0.048 0.000 0.900 373 Q CB 1.784 30.505 28.738 -0.028 0.000 1.229 373 Q HN 0.937 nan 8.270 nan 0.000 0.439 374 G N 1.277 110.080 108.800 0.005 0.000 2.353 374 G HA2 -0.114 3.846 3.960 0.000 0.000 0.424 374 G HA3 -0.114 3.846 3.960 0.000 0.000 0.424 374 G C -1.653 173.261 174.900 0.023 0.000 1.320 374 G CA -1.092 44.027 45.100 0.032 0.000 0.995 374 G HN 0.585 nan 8.290 nan 0.000 0.580 375 D N 0.552 120.974 120.400 0.036 0.000 2.458 375 D HA 0.451 5.092 4.640 0.000 0.000 0.243 375 D C 1.617 177.935 176.300 0.030 0.000 1.146 375 D CA 0.822 54.839 54.000 0.029 0.000 0.877 375 D CB 1.432 42.255 40.800 0.037 0.000 1.176 375 D HN 0.892 nan 8.370 nan 0.000 0.461 376 A N 3.262 126.092 122.820 0.018 0.000 2.019 376 A HA -0.143 4.177 4.320 0.000 0.000 0.219 376 A C 2.091 179.694 177.584 0.031 0.000 1.164 376 A CA 1.516 53.564 52.037 0.018 0.000 0.644 376 A CB -0.263 18.744 19.000 0.012 0.000 0.805 376 A HN 0.656 nan 8.150 nan 0.000 0.449 377 T N 0.401 114.977 114.554 0.036 0.000 2.821 377 T HA -0.068 4.283 4.350 0.000 0.000 0.267 377 T C 1.761 176.504 174.700 0.072 0.000 1.046 377 T CA 1.283 63.409 62.100 0.044 0.000 1.139 377 T CB -0.217 68.672 68.868 0.036 0.000 0.871 377 T HN 0.345 nan 8.240 nan 0.000 0.454 378 I N 1.762 122.385 120.570 0.089 0.000 2.163 378 I HA -0.061 4.109 4.170 0.000 0.000 0.240 378 I C 3.011 179.220 176.117 0.153 0.000 1.081 378 I CA 1.098 62.491 61.300 0.154 0.000 1.353 378 I CB -1.718 36.377 38.000 0.158 0.000 1.054 378 I HN 0.172 nan 8.210 nan 0.000 0.407 379 A N 0.502 123.375 122.820 0.088 0.000 1.903 379 A HA -0.294 4.026 4.320 0.000 0.000 0.219 379 A C 2.287 179.891 177.584 0.032 0.000 1.191 379 A CA 2.063 54.123 52.037 0.039 0.000 0.638 379 A CB -0.848 18.156 19.000 0.006 0.000 0.823 379 A HN 0.537 nan 8.150 nan 0.000 0.451 380 Q N -1.446 118.380 119.800 0.044 0.000 2.119 380 Q HA -0.148 4.192 4.340 0.000 0.000 0.201 380 Q C 2.390 178.429 176.000 0.065 0.000 0.972 380 Q CA 1.512 57.339 55.803 0.041 0.000 0.847 380 Q CB -0.151 28.608 28.738 0.037 0.000 0.903 380 Q HN 0.708 nan 8.270 nan 0.000 0.433 381 R N 0.326 120.890 120.500 0.108 0.000 2.081 381 R HA -0.169 4.171 4.340 0.000 0.000 0.235 381 R C 2.154 178.559 176.300 0.175 0.000 1.131 381 R CA 1.090 57.288 56.100 0.164 0.000 0.960 381 R CB -0.187 30.248 30.300 0.225 0.000 0.856 381 R HN 0.219 nan 8.270 nan 0.000 0.436 382 L N 0.264 121.531 121.223 0.073 0.000 2.027 382 L HA 0.079 4.419 4.340 0.000 0.000 0.206 382 L C 2.187 179.034 176.870 -0.039 0.000 1.074 382 L CA 2.267 56.983 54.840 -0.206 0.000 0.745 382 L CB -1.029 40.741 42.059 -0.482 0.000 0.898 382 L HN 0.278 nan 8.230 nan 0.000 0.433 383 G N -1.202 107.595 108.800 -0.006 0.000 2.475 383 G HA2 -0.390 3.570 3.960 0.000 0.000 0.220 383 G HA3 -0.390 3.570 3.960 0.000 0.000 0.220 383 G C 1.518 176.456 174.900 0.064 0.000 1.125 383 G CA 0.974 46.089 45.100 0.025 0.000 0.755 383 G HN 0.483 nan 8.290 nan 0.000 0.565 384 Q N 0.065 119.908 119.800 0.071 0.000 2.224 384 Q HA -0.009 4.332 4.340 0.000 0.000 0.203 384 Q C 2.409 178.481 176.000 0.121 0.000 0.970 384 Q CA 0.907 56.760 55.803 0.083 0.000 0.865 384 Q CB -0.014 28.771 28.738 0.079 0.000 0.922 384 Q HN 0.271 nan 8.270 nan 0.000 0.445 385 R N -0.570 120.027 120.500 0.162 0.000 2.276 385 R HA 0.206 4.547 4.340 0.000 0.000 0.196 385 R C 0.285 176.834 176.300 0.414 0.000 0.961 385 R CA 0.108 56.365 56.100 0.262 0.000 1.024 385 R CB -0.346 30.093 30.300 0.233 0.000 0.940 385 R HN 0.280 nan 8.270 nan 0.000 0.480 386 L N 0.403 121.825 121.223 0.332 0.000 2.466 386 L HA 0.151 4.491 4.340 0.000 0.000 0.257 386 L C 0.885 177.894 176.870 0.231 0.000 1.189 386 L CA -0.552 54.523 54.840 0.392 0.000 0.813 386 L CB 0.512 42.741 42.059 0.282 0.000 1.118 386 L HN -0.241 nan 8.230 nan 0.000 0.471 387 V N 1.126 121.155 119.914 0.191 0.000 3.332 387 V HA -0.065 4.055 4.120 0.000 0.000 0.305 387 V C -0.105 175.910 176.094 -0.133 0.000 1.114 387 V CA 0.134 62.331 62.300 -0.173 0.000 1.194 387 V CB 1.051 32.566 31.823 -0.514 0.000 1.027 387 V HN 0.738 nan 8.190 nan 0.000 0.492 388 K N 2.635 122.889 120.400 -0.244 0.000 2.394 388 K HA 0.795 5.116 4.320 0.000 0.000 0.260 388 K C -0.112 176.457 176.600 -0.052 0.000 0.967 388 K CA 0.180 56.409 56.287 -0.097 0.000 0.855 388 K CB 1.202 33.659 32.500 -0.072 0.000 1.101 388 K HN 1.242 nan 8.250 nan 0.000 0.433 392 I N 1.815 122.608 120.570 0.372 0.000 2.389 392 I HA 0.429 4.599 4.170 0.000 0.000 0.288 392 I C -0.635 175.610 176.117 0.212 0.000 0.999 392 I CA -1.007 60.465 61.300 0.287 0.000 1.129 392 I CB 2.010 40.082 38.000 0.119 0.000 1.288 392 I HN 0.221 nan 8.210 nan 0.000 0.444 393 L N 6.786 128.033 121.223 0.041 0.000 2.325 393 L HA 0.437 4.777 4.340 0.000 0.000 0.281 393 L C 0.004 176.922 176.870 0.080 0.000 1.004 393 L CA 0.286 55.035 54.840 -0.152 0.000 0.823 393 L CB 1.168 42.704 42.059 -0.871 0.000 1.236 393 L HN 0.560 nan 8.230 nan 0.000 0.415 394 E N 2.869 123.164 120.200 0.159 0.000 2.869 394 E HA 0.233 4.584 4.350 0.000 0.000 0.207 394 E C -1.048 175.674 176.600 0.204 0.000 0.986 394 E CA -0.090 56.424 56.400 0.189 0.000 1.131 394 E CB 0.653 30.499 29.700 0.245 0.000 1.098 394 E HN 0.700 nan 8.360 nan 0.000 0.459 395 D N -0.098 120.428 120.400 0.209 0.000 2.419 395 D HA 0.301 4.942 4.640 0.000 0.000 0.234 395 D C -1.413 175.023 176.300 0.227 0.000 1.014 395 D CA -0.538 53.636 54.000 0.290 0.000 0.919 395 D CB 1.588 42.638 40.800 0.417 0.000 1.366 395 D HN -0.025 nan 8.370 nan 0.000 0.490 396 Y N 1.703 122.107 120.300 0.175 0.000 2.409 396 Y HA 0.626 5.176 4.550 0.000 0.000 0.343 396 Y C -1.573 174.419 175.900 0.154 0.000 0.973 396 Y CA -0.838 57.270 58.100 0.014 0.000 1.064 396 Y CB 0.706 39.233 38.460 0.112 0.000 1.207 396 Y HN 0.425 nan 8.280 nan 0.000 0.452 397 F N 0.000 119.585 119.950 -0.609 0.000 2.286 397 F HA 0.000 4.527 4.527 0.001 0.000 0.279 397 F CA 0.000 57.828 58.000 -0.286 0.000 1.383 397 F CB 0.000 39.066 39.000 0.109 0.000 1.145 397 F HN 0.000 nan 8.300 nan 0.000 0.574