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 1dbt_1_B DATA FIRST_RESID 3 DATA SEQUENCE NNLPIIALDF ASAEETLAFL APFQQEPLFV KVGMELFYQE GPSIVKQLKE DATA SEQUENCE RNCELFLDLK LHDIPTTVNK AMKRLASLGV DLVNVHAAGG KKMMQAALEG DATA SEQUENCE LEEGTPAGKK RPSLIAVTQL TSTSEQIMKD ELLIEKSLID TVVHYSKQAE DATA SEQUENCE ESGLDGVVCS VHEAKAIYQA VSPSFLTVTP GIRMSEDAAN DQVRVATPAI DATA SEQUENCE AREKGSSAIV VGRSITKAED PVKAYKAVRL EWEG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 N HA 0.000 nan 4.740 nan 0.000 0.220 3 N C 0.000 175.813 175.510 0.504 0.000 1.280 3 N CA 0.000 53.255 53.050 0.342 0.000 0.885 3 N CB 0.000 38.707 38.487 0.366 0.000 1.341 4 N N 0.549 119.473 118.700 0.374 0.000 2.364 4 N HA 0.013 4.753 4.740 -0.000 0.000 0.183 4 N C -0.072 175.732 175.510 0.490 0.000 1.022 4 N CA 0.898 54.181 53.050 0.388 0.000 0.883 4 N CB 0.263 38.860 38.487 0.184 0.000 0.965 4 N HN 0.410 nan 8.380 nan 0.000 0.438 5 L N 1.273 122.746 121.223 0.417 0.000 2.272 5 L HA 0.407 4.747 4.340 -0.000 0.000 0.289 5 L C -2.369 174.647 176.870 0.243 0.000 1.032 5 L CA -2.047 53.017 54.840 0.373 0.000 0.810 5 L CB 1.393 43.689 42.059 0.395 0.000 1.205 5 L HN -0.245 nan 8.230 nan 0.000 0.422 6 P HA 0.148 nan 4.420 nan 0.000 0.271 6 P C -0.456 176.863 177.300 0.032 0.000 1.220 6 P CA -0.040 62.991 63.100 -0.115 0.000 0.768 6 P CB 0.538 32.194 31.700 -0.074 0.000 0.848 7 I N 4.386 124.844 120.570 -0.187 0.000 2.421 7 I HA 0.125 4.295 4.170 -0.000 0.000 0.291 7 I C 0.652 176.729 176.117 -0.067 0.000 1.089 7 I CA -0.073 61.106 61.300 -0.202 0.000 1.354 7 I CB -0.117 37.615 38.000 -0.447 0.000 1.413 7 I HN 0.153 nan 8.210 nan 0.000 0.513 8 I N 6.117 126.693 120.570 0.010 0.000 2.416 8 I HA 0.234 4.404 4.170 -0.000 0.000 0.288 8 I C 0.801 176.886 176.117 -0.053 0.000 1.051 8 I CA -0.209 61.100 61.300 0.015 0.000 1.375 8 I CB 1.048 39.075 38.000 0.046 0.000 1.407 8 I HN 0.624 nan 8.210 nan 0.000 0.516 9 A N 8.207 130.958 122.820 -0.115 0.000 2.437 9 A HA 0.432 4.752 4.320 -0.000 0.000 0.303 9 A C 0.133 177.551 177.584 -0.277 0.000 1.324 9 A CA -0.446 51.471 52.037 -0.199 0.000 0.983 9 A CB -0.370 18.497 19.000 -0.221 0.000 1.142 9 A HN 0.753 nan 8.150 nan 0.000 0.541 10 L N 3.116 124.217 121.223 -0.202 0.000 2.382 10 L HA 0.138 4.478 4.340 -0.000 0.000 0.259 10 L C -0.521 176.155 176.870 -0.323 0.000 1.291 10 L CA -0.245 54.499 54.840 -0.159 0.000 1.176 10 L CB -0.340 41.764 42.059 0.075 0.000 1.373 10 L HN 0.491 nan 8.230 nan 0.000 0.426 11 D N 2.673 122.642 120.400 -0.719 0.000 2.639 11 D HA 0.312 4.952 4.640 -0.000 0.000 0.233 11 D C -0.306 175.472 176.300 -0.870 0.000 1.161 11 D CA 0.281 53.908 54.000 -0.621 0.000 1.003 11 D CB 0.094 40.595 40.800 -0.499 0.000 1.034 11 D HN 0.089 nan 8.370 nan 0.000 0.514 12 F N -0.301 119.566 119.950 -0.137 0.000 2.579 12 F HA 0.491 5.018 4.527 -0.000 0.000 0.324 12 F C 1.306 177.068 175.800 -0.063 0.000 1.058 12 F CA -1.256 56.684 58.000 -0.101 0.000 0.944 12 F CB 1.567 40.508 39.000 -0.099 0.000 1.245 12 F HN 0.071 nan 8.300 nan 0.000 0.477 13 A N 0.698 123.614 122.820 0.160 0.000 2.251 13 A HA 0.398 4.718 4.320 -0.000 0.000 0.209 13 A C 0.242 177.871 177.584 0.074 0.000 1.187 13 A CA 0.808 52.894 52.037 0.082 0.000 0.823 13 A CB -0.636 18.400 19.000 0.060 0.000 0.846 13 A HN 0.682 nan 8.150 nan 0.000 0.486 14 S N -4.060 111.696 115.700 0.093 0.000 2.615 14 S HA 0.585 5.055 4.470 -0.000 0.000 0.268 14 S C 0.639 175.266 174.600 0.045 0.000 1.146 14 S CA -0.018 58.213 58.200 0.052 0.000 0.818 14 S CB 0.796 64.015 63.200 0.032 0.000 1.111 14 S HN 0.955 nan 8.310 nan 0.000 0.465 15 A N 0.662 123.495 122.820 0.021 0.000 1.930 15 A HA 0.066 4.386 4.320 -0.000 0.000 0.217 15 A C 1.742 179.319 177.584 -0.012 0.000 1.175 15 A CA 1.844 53.888 52.037 0.010 0.000 0.627 15 A CB -1.147 17.855 19.000 0.004 0.000 0.815 15 A HN 0.865 nan 8.150 nan 0.000 0.443 16 E N 0.161 120.351 120.200 -0.016 0.000 2.106 16 E HA -0.132 4.218 4.350 -0.000 0.000 0.192 16 E C 1.863 178.423 176.600 -0.066 0.000 0.984 16 E CA 1.397 57.779 56.400 -0.030 0.000 0.806 16 E CB -0.162 29.527 29.700 -0.018 0.000 0.750 16 E HN 0.752 nan 8.360 nan 0.000 0.458 17 E N -0.431 119.718 120.200 -0.085 0.000 2.208 17 E HA -0.071 4.279 4.350 -0.000 0.000 0.193 17 E C 1.631 177.943 176.600 -0.480 0.000 0.988 17 E CA 1.174 57.456 56.400 -0.196 0.000 0.828 17 E CB 0.124 29.769 29.700 -0.091 0.000 0.763 17 E HN 0.173 nan 8.360 nan 0.000 0.478 18 T N 1.031 115.395 114.554 -0.316 0.000 2.809 18 T HA -0.056 4.294 4.350 -0.000 0.000 0.260 18 T C 1.646 176.278 174.700 -0.113 0.000 1.039 18 T CA 0.475 62.405 62.100 -0.283 0.000 1.141 18 T CB -0.013 68.856 68.868 0.002 0.000 0.869 18 T HN -0.015 nan 8.240 nan 0.000 0.437 19 L N 1.366 122.545 121.223 -0.072 0.000 2.141 19 L HA 0.143 4.483 4.340 -0.000 0.000 0.209 19 L C 2.696 179.540 176.870 -0.043 0.000 1.094 19 L CA 1.166 55.983 54.840 -0.039 0.000 0.763 19 L CB -1.230 40.812 42.059 -0.028 0.000 0.908 19 L HN 0.241 nan 8.230 nan 0.000 0.437 20 A N -1.629 121.152 122.820 -0.065 0.000 2.014 20 A HA -0.182 4.138 4.320 -0.000 0.000 0.218 20 A C 2.200 179.769 177.584 -0.025 0.000 1.163 20 A CA 0.975 52.983 52.037 -0.048 0.000 0.652 20 A CB -0.724 18.243 19.000 -0.054 0.000 0.808 20 A HN 0.394 nan 8.150 nan 0.000 0.449 21 F N -0.255 119.561 119.950 -0.222 0.000 2.187 21 F HA 0.031 4.558 4.527 -0.000 0.000 0.295 21 F C 1.550 177.380 175.800 0.050 0.000 1.091 21 F CA 1.156 59.065 58.000 -0.152 0.000 1.308 21 F CB -0.152 38.572 39.000 -0.459 0.000 1.030 21 F HN 0.122 nan 8.300 nan 0.000 0.487 22 L N 0.498 121.634 121.223 -0.144 0.000 2.395 22 L HA 0.137 4.477 4.340 -0.000 0.000 0.218 22 L C 2.482 179.346 176.870 -0.010 0.000 1.130 22 L CA 1.275 55.991 54.840 -0.207 0.000 0.826 22 L CB -1.247 40.742 42.059 -0.117 0.000 0.941 22 L HN 0.262 nan 8.230 nan 0.000 0.451 23 A N 0.430 123.246 122.820 -0.006 0.000 1.902 23 A HA -0.096 4.224 4.320 -0.000 0.000 0.217 23 A C -0.104 177.488 177.584 0.013 0.000 1.181 23 A CA 1.556 53.596 52.037 0.005 0.000 0.623 23 A CB -1.773 17.219 19.000 -0.014 0.000 0.818 23 A HN 0.349 nan 8.150 nan 0.000 0.443 24 P HA 0.008 nan 4.420 nan 0.000 0.237 24 P C 0.491 177.685 177.300 -0.175 0.000 1.178 24 P CA 0.539 63.569 63.100 -0.118 0.000 0.766 24 P CB -0.101 31.474 31.700 -0.208 0.000 0.876 25 F N -1.081 118.766 119.950 -0.171 0.000 2.615 25 F HA -0.017 4.510 4.527 -0.000 0.000 0.297 25 F C 1.879 177.627 175.800 -0.087 0.000 1.124 25 F CA 0.601 58.513 58.000 -0.148 0.000 1.451 25 F CB -0.295 38.569 39.000 -0.227 0.000 1.103 25 F HN -0.181 nan 8.300 nan 0.000 0.569 26 Q N -0.300 119.556 119.800 0.093 0.000 1.959 26 Q HA -0.389 3.951 4.340 -0.000 0.000 0.375 26 Q C 1.008 177.035 176.000 0.045 0.000 0.685 26 Q CA 2.136 57.966 55.803 0.045 0.000 0.942 26 Q CB -1.323 27.427 28.738 0.020 0.000 2.698 26 Q HN 0.359 nan 8.270 nan 0.000 0.782 27 Q N 1.015 120.840 119.800 0.042 0.000 2.172 27 Q HA 0.292 4.632 4.340 -0.000 0.000 0.217 27 Q C -0.408 175.621 176.000 0.048 0.000 0.832 27 Q CA 0.098 55.922 55.803 0.035 0.000 1.010 27 Q CB 0.774 29.526 28.738 0.024 0.000 1.133 27 Q HN 0.265 nan 8.270 nan 0.000 0.489 28 E N 1.651 121.897 120.200 0.077 0.000 2.344 28 E HA 0.098 4.448 4.350 -0.000 0.000 0.270 28 E C -2.160 174.490 176.600 0.083 0.000 1.021 28 E CA -1.957 54.506 56.400 0.104 0.000 0.887 28 E CB 0.684 30.487 29.700 0.171 0.000 0.997 28 E HN -0.001 nan 8.360 nan 0.000 0.429 29 P HA 0.037 nan 4.420 nan 0.000 0.266 29 P C -1.080 176.273 177.300 0.088 0.000 1.215 29 P CA 0.527 63.667 63.100 0.068 0.000 0.763 29 P CB 0.309 32.053 31.700 0.074 0.000 0.806 30 L N 3.550 124.793 121.223 0.032 0.000 2.381 30 L HA 0.513 4.853 4.340 -0.000 0.000 0.268 30 L C -0.401 176.530 176.870 0.102 0.000 0.997 30 L CA -0.821 54.031 54.840 0.020 0.000 0.818 30 L CB 1.953 43.920 42.059 -0.153 0.000 1.310 30 L HN 0.313 nan 8.230 nan 0.000 0.416 31 F N 4.120 124.078 119.950 0.014 0.000 2.361 31 F HA 0.566 5.093 4.527 -0.000 0.000 0.364 31 F C -0.015 175.796 175.800 0.018 0.000 1.117 31 F CA -0.969 57.052 58.000 0.035 0.000 1.071 31 F CB 1.253 40.291 39.000 0.063 0.000 1.188 31 F HN 0.241 nan 8.300 nan 0.000 0.464 32 V N 3.027 123.185 119.914 0.407 0.000 2.994 32 V HA 0.601 4.721 4.120 -0.000 0.000 0.318 32 V C -1.179 175.034 176.094 0.198 0.000 1.085 32 V CA -0.975 61.441 62.300 0.195 0.000 0.998 32 V CB 1.902 33.783 31.823 0.097 0.000 1.063 32 V HN 0.758 nan 8.190 nan 0.000 0.447 33 K N 1.841 122.264 120.400 0.037 0.000 2.463 33 K HA 0.694 5.014 4.320 -0.000 0.000 0.255 33 K C -1.766 174.748 176.600 -0.143 0.000 0.942 33 K CA -0.621 55.608 56.287 -0.096 0.000 0.814 33 K CB 2.132 34.473 32.500 -0.266 0.000 1.122 33 K HN 0.712 nan 8.250 nan 0.000 0.425 34 V N 3.808 123.637 119.914 -0.143 0.000 2.350 34 V HA 0.431 4.551 4.120 -0.000 0.000 0.276 34 V C 0.757 176.711 176.094 -0.233 0.000 1.028 34 V CA -0.455 61.779 62.300 -0.110 0.000 0.860 34 V CB 1.052 32.880 31.823 0.008 0.000 0.990 34 V HN 0.950 nan 8.190 nan 0.000 0.453 35 G N 3.020 111.680 108.800 -0.235 0.000 2.671 35 G HA2 0.470 4.430 3.960 -0.000 0.000 0.275 35 G HA3 0.470 4.430 3.960 -0.000 0.000 0.275 35 G C 0.742 175.452 174.900 -0.316 0.000 1.368 35 G CA -0.773 44.144 45.100 -0.306 0.000 1.044 35 G HN 0.551 nan 8.290 nan 0.000 0.543 36 M N -0.776 118.567 119.600 -0.428 0.000 2.159 36 M HA -0.056 4.424 4.480 -0.000 0.000 0.263 36 M C 2.306 178.254 176.300 -0.587 0.000 1.063 36 M CA 1.530 56.358 55.300 -0.787 0.000 1.110 36 M CB -0.185 32.032 32.600 -0.639 0.000 1.374 36 M HN 0.773 nan 8.290 nan 0.000 0.411 37 E N 0.898 120.932 120.200 -0.277 0.000 2.031 37 E HA -0.196 4.154 4.350 -0.000 0.000 0.193 37 E C 2.035 178.603 176.600 -0.052 0.000 0.994 37 E CA 1.099 57.422 56.400 -0.129 0.000 0.800 37 E CB -0.004 29.624 29.700 -0.120 0.000 0.752 37 E HN 0.473 nan 8.360 nan 0.000 0.447 38 L N -0.078 121.118 121.223 -0.044 0.000 2.072 38 L HA -0.124 4.216 4.340 -0.000 0.000 0.205 38 L C 2.391 179.307 176.870 0.076 0.000 1.079 38 L CA 0.865 55.723 54.840 0.030 0.000 0.752 38 L CB -0.217 41.870 42.059 0.046 0.000 0.906 38 L HN 0.240 nan 8.230 nan 0.000 0.436 39 F N -0.525 119.375 119.950 -0.083 0.000 2.206 39 F HA -0.229 4.298 4.527 -0.000 0.000 0.298 39 F C 2.099 178.005 175.800 0.177 0.000 1.090 39 F CA 1.398 59.401 58.000 0.005 0.000 1.323 39 F CB -0.264 38.709 39.000 -0.044 0.000 1.028 39 F HN 0.035 nan 8.300 nan 0.000 0.492 40 Y N -1.242 119.118 120.300 0.101 0.000 2.583 40 Y HA -0.149 4.401 4.550 -0.000 0.000 0.293 40 Y C 2.155 178.028 175.900 -0.045 0.000 1.157 40 Y CA 0.136 58.248 58.100 0.020 0.000 1.315 40 Y CB -0.027 38.470 38.460 0.063 0.000 1.021 40 Y HN 0.201 nan 8.280 nan 0.000 0.536 41 Q N 0.384 120.241 119.800 0.095 0.000 2.304 41 Q HA -0.054 4.286 4.340 -0.000 0.000 0.204 41 Q C 1.614 177.597 176.000 -0.028 0.000 0.936 41 Q CA 1.080 56.902 55.803 0.032 0.000 0.878 41 Q CB 0.347 29.106 28.738 0.035 0.000 0.983 41 Q HN 0.171 nan 8.270 nan 0.000 0.516 42 E N -0.565 119.594 120.200 -0.068 0.000 2.340 42 E HA 0.264 4.614 4.350 -0.000 0.000 0.198 42 E C 0.832 177.304 176.600 -0.214 0.000 0.961 42 E CA 0.743 57.080 56.400 -0.105 0.000 0.905 42 E CB 0.513 30.176 29.700 -0.062 0.000 0.884 42 E HN 0.361 nan 8.360 nan 0.000 0.491 43 G N 1.461 109.999 108.800 -0.437 0.000 2.632 43 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.224 43 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.224 43 G C -2.078 172.375 174.900 -0.745 0.000 1.341 43 G CA -0.169 44.489 45.100 -0.738 0.000 0.880 43 G HN 0.011 nan 8.290 nan 0.000 0.566 44 P HA -0.053 nan 4.420 nan 0.000 0.221 44 P C 2.202 179.514 177.300 0.020 0.000 1.145 44 P CA 2.474 65.566 63.100 -0.012 0.000 0.795 44 P CB -0.155 31.579 31.700 0.056 0.000 0.775 45 S N -0.770 114.902 115.700 -0.047 0.000 2.383 45 S HA -0.199 4.271 4.470 -0.000 0.000 0.229 45 S C 1.898 176.505 174.600 0.012 0.000 1.030 45 S CA 1.080 59.271 58.200 -0.014 0.000 1.002 45 S CB -1.500 61.680 63.200 -0.033 0.000 0.829 45 S HN 0.029 nan 8.310 nan 0.000 0.467 46 I N 1.880 122.458 120.570 0.014 0.000 2.315 46 I HA -0.044 4.126 4.170 -0.000 0.000 0.248 46 I C 2.209 178.376 176.117 0.084 0.000 1.117 46 I CA 0.722 62.051 61.300 0.048 0.000 1.404 46 I CB -0.387 37.646 38.000 0.056 0.000 1.071 46 I HN 0.188 nan 8.210 nan 0.000 0.419 47 V N 0.535 120.528 119.914 0.132 0.000 2.358 47 V HA -0.265 3.855 4.120 -0.000 0.000 0.246 47 V C 2.444 178.589 176.094 0.086 0.000 1.047 47 V CA 1.878 64.260 62.300 0.137 0.000 1.035 47 V CB -0.863 31.082 31.823 0.204 0.000 0.658 47 V HN 0.372 nan 8.190 nan 0.000 0.452 48 K N -0.452 119.991 120.400 0.072 0.000 2.211 48 K HA -0.147 4.173 4.320 -0.000 0.000 0.203 48 K C 2.280 178.900 176.600 0.033 0.000 1.050 48 K CA 1.132 57.447 56.287 0.047 0.000 0.945 48 K CB -0.121 32.402 32.500 0.039 0.000 0.732 48 K HN 0.530 nan 8.250 nan 0.000 0.451 49 Q N 0.445 120.264 119.800 0.032 0.000 2.096 49 Q HA -0.022 4.318 4.340 -0.000 0.000 0.197 49 Q C 2.103 178.115 176.000 0.021 0.000 0.964 49 Q CA 0.916 56.732 55.803 0.022 0.000 0.838 49 Q CB 0.073 28.822 28.738 0.018 0.000 0.906 49 Q HN 0.272 nan 8.270 nan 0.000 0.444 50 L N 0.547 121.789 121.223 0.031 0.000 2.141 50 L HA -0.140 4.199 4.340 -0.000 0.000 0.209 50 L C 2.304 179.185 176.870 0.019 0.000 1.094 50 L CA 0.730 55.586 54.840 0.027 0.000 0.763 50 L CB -0.223 41.862 42.059 0.043 0.000 0.908 50 L HN 0.024 nan 8.230 nan 0.000 0.437 51 K N 0.318 120.732 120.400 0.023 0.000 2.288 51 K HA -0.091 4.229 4.320 -0.000 0.000 0.201 51 K C 1.783 178.386 176.600 0.005 0.000 1.048 51 K CA 0.933 57.227 56.287 0.013 0.000 0.956 51 K CB 0.094 32.605 32.500 0.019 0.000 0.746 51 K HN 0.438 nan 8.250 nan 0.000 0.461 52 E N -0.001 120.203 120.200 0.008 0.000 2.285 52 E HA -0.060 4.290 4.350 -0.000 0.000 0.194 52 E C 1.106 177.706 176.600 0.000 0.000 0.997 52 E CA 0.405 56.807 56.400 0.004 0.000 0.845 52 E CB 0.155 29.858 29.700 0.006 0.000 0.782 52 E HN 0.160 nan 8.360 nan 0.000 0.491 53 R N 1.109 121.608 120.500 -0.001 0.000 2.391 53 R HA 0.119 4.459 4.340 -0.000 0.000 0.249 53 R C -0.072 176.223 176.300 -0.009 0.000 0.957 53 R CA -0.101 55.996 56.100 -0.004 0.000 1.093 53 R CB -0.064 30.232 30.300 -0.007 0.000 1.156 53 R HN 0.094 nan 8.270 nan 0.000 0.526 54 N N 0.500 119.194 118.700 -0.010 0.000 2.714 54 N HA -0.180 4.560 4.740 -0.000 0.000 0.252 54 N C -0.798 174.695 175.510 -0.028 0.000 1.014 54 N CA 0.748 53.787 53.050 -0.018 0.000 0.735 54 N CB -1.299 37.179 38.487 -0.015 0.000 0.924 54 N HN 0.260 nan 8.380 nan 0.000 0.540 55 C N 0.721 120.006 119.300 -0.025 0.000 2.401 55 C HA 0.257 4.717 4.460 -0.000 0.000 0.365 55 C C 1.281 176.235 174.990 -0.060 0.000 1.250 55 C CA -0.694 58.308 59.018 -0.028 0.000 2.131 55 C CB 1.058 28.797 27.740 -0.001 0.000 2.445 55 C HN 0.313 nan 8.230 nan 0.000 0.550 56 E N 1.688 121.811 120.200 -0.129 0.000 2.289 56 E HA 0.471 4.821 4.350 -0.000 0.000 0.278 56 E C -1.164 175.368 176.600 -0.113 0.000 1.032 56 E CA -0.205 55.994 56.400 -0.335 0.000 0.854 56 E CB 0.691 29.902 29.700 -0.815 0.000 1.046 56 E HN 0.534 nan 8.360 nan 0.000 0.409 57 L N 5.515 126.733 121.223 -0.007 0.000 2.346 57 L HA 0.500 4.840 4.340 -0.000 0.000 0.274 57 L C -1.252 175.866 176.870 0.412 0.000 1.007 57 L CA -0.661 54.313 54.840 0.224 0.000 0.818 57 L CB 1.208 43.340 42.059 0.122 0.000 1.284 57 L HN 0.588 nan 8.230 nan 0.000 0.424 58 F N 6.006 126.097 119.950 0.236 0.000 2.445 58 F HA 0.408 4.935 4.527 -0.000 0.000 0.348 58 F C -1.139 174.659 175.800 -0.004 0.000 1.125 58 F CA -0.992 57.079 58.000 0.119 0.000 0.983 58 F CB 1.089 40.102 39.000 0.021 0.000 1.198 58 F HN 0.278 nan 8.300 nan 0.000 0.436 59 L N 6.301 127.662 121.223 0.230 0.000 2.282 59 L HA 0.169 4.509 4.340 -0.000 0.000 0.287 59 L C -0.567 176.180 176.870 -0.206 0.000 1.075 59 L CA -0.187 54.598 54.840 -0.091 0.000 0.839 59 L CB 0.389 42.375 42.059 -0.122 0.000 1.219 59 L HN 0.597 nan 8.230 nan 0.000 0.434 60 D N 4.473 124.554 120.400 -0.531 0.000 2.631 60 D HA 0.154 4.794 4.640 -0.000 0.000 0.227 60 D C 0.806 176.895 176.300 -0.353 0.000 1.146 60 D CA -0.001 53.645 54.000 -0.591 0.000 1.009 60 D CB 0.412 40.636 40.800 -0.959 0.000 1.057 60 D HN 0.451 nan 8.370 nan 0.000 0.509 61 L N 1.393 122.472 121.223 -0.240 0.000 2.616 61 L HA 0.187 4.527 4.340 -0.000 0.000 0.229 61 L C 0.760 177.605 176.870 -0.041 0.000 1.110 61 L CA -0.222 54.519 54.840 -0.166 0.000 0.884 61 L CB -0.150 41.806 42.059 -0.171 0.000 1.115 61 L HN 0.186 nan 8.230 nan 0.000 0.481 62 K N 1.424 121.789 120.400 -0.058 0.000 3.730 62 K HA -0.191 4.129 4.320 -0.000 0.000 0.276 62 K C -0.643 176.034 176.600 0.127 0.000 0.904 62 K CA 0.054 56.323 56.287 -0.031 0.000 0.741 62 K CB -1.574 30.882 32.500 -0.073 0.000 1.542 62 K HN 0.076 nan 8.250 nan 0.000 0.446 63 L N 1.626 122.903 121.223 0.090 0.000 2.615 63 L HA 0.001 4.341 4.340 -0.000 0.000 0.271 63 L C 0.836 177.836 176.870 0.216 0.000 1.183 63 L CA 1.214 56.135 54.840 0.134 0.000 0.933 63 L CB -0.112 41.993 42.059 0.077 0.000 1.199 63 L HN 0.289 nan 8.230 nan 0.000 0.487 64 H N 3.102 122.241 119.070 0.115 0.000 2.917 64 H HA 0.356 4.912 4.556 -0.000 0.000 0.279 64 H C -1.148 174.205 175.328 0.042 0.000 1.211 64 H CA -0.409 55.693 56.048 0.091 0.000 1.534 64 H CB 0.637 30.453 29.762 0.089 0.000 1.581 64 H HN 0.696 nan 8.280 nan 0.000 0.510 65 D N 2.730 123.238 120.400 0.181 0.000 2.921 65 D HA 0.125 4.764 4.640 -0.000 0.000 0.329 65 D C -0.120 176.221 176.300 0.069 0.000 1.293 65 D CA -0.537 53.502 54.000 0.065 0.000 0.964 65 D CB 1.901 42.730 40.800 0.049 0.000 1.435 65 D HN 0.536 nan 8.370 nan 0.000 0.548 66 I N -1.184 119.406 120.570 0.034 0.000 2.779 66 I HA 0.280 4.449 4.170 -0.000 0.000 0.285 66 I C -1.754 174.383 176.117 0.033 0.000 1.134 66 I CA -1.220 60.098 61.300 0.029 0.000 1.398 66 I CB 0.725 38.733 38.000 0.014 0.000 1.404 66 I HN 0.121 nan 8.210 nan 0.000 0.587 67 P HA -0.249 nan 4.420 nan 0.000 0.217 67 P C 1.565 178.877 177.300 0.021 0.000 1.162 67 P CA 2.796 65.910 63.100 0.024 0.000 0.901 67 P CB -0.203 31.507 31.700 0.017 0.000 0.793 68 T N -5.031 109.533 114.554 0.018 0.000 2.867 68 T HA -0.100 4.250 4.350 -0.000 0.000 0.268 68 T C 1.713 176.423 174.700 0.018 0.000 1.057 68 T CA 1.887 63.997 62.100 0.016 0.000 1.136 68 T CB -1.633 67.242 68.868 0.012 0.000 0.874 68 T HN 0.049 nan 8.240 nan 0.000 0.466 69 T N 1.767 116.333 114.554 0.020 0.000 2.857 69 T HA 0.018 4.368 4.350 -0.000 0.000 0.266 69 T C 2.132 176.850 174.700 0.029 0.000 1.048 69 T CA 1.061 63.174 62.100 0.022 0.000 1.139 69 T CB -0.477 68.403 68.868 0.020 0.000 0.874 69 T HN 0.261 nan 8.240 nan 0.000 0.455 70 V N 2.775 122.709 119.914 0.034 0.000 2.358 70 V HA -0.163 3.957 4.120 -0.000 0.000 0.246 70 V C 2.560 178.672 176.094 0.029 0.000 1.047 70 V CA 1.463 63.786 62.300 0.038 0.000 1.035 70 V CB -0.685 31.165 31.823 0.045 0.000 0.658 70 V HN 0.586 nan 8.190 nan 0.000 0.452 71 N N 0.771 119.485 118.700 0.024 0.000 2.043 71 N HA -0.237 4.503 4.740 -0.000 0.000 0.193 71 N C 1.931 177.454 175.510 0.021 0.000 1.037 71 N CA 1.860 54.922 53.050 0.020 0.000 0.851 71 N CB -0.053 38.444 38.487 0.017 0.000 1.027 71 N HN 0.464 nan 8.380 nan 0.000 0.422 72 K N 0.273 120.686 120.400 0.022 0.000 2.097 72 K HA -0.004 4.316 4.320 -0.000 0.000 0.206 72 K C 2.104 178.721 176.600 0.028 0.000 1.049 72 K CA 1.188 57.489 56.287 0.023 0.000 0.933 72 K CB -0.114 32.398 32.500 0.020 0.000 0.717 72 K HN 0.255 nan 8.250 nan 0.000 0.442 73 A N 0.700 123.539 122.820 0.032 0.000 1.968 73 A HA -0.094 4.226 4.320 -0.000 0.000 0.217 73 A C 2.015 179.620 177.584 0.036 0.000 1.169 73 A CA 1.064 53.125 52.037 0.040 0.000 0.638 73 A CB -0.231 18.795 19.000 0.044 0.000 0.812 73 A HN 0.116 nan 8.150 nan 0.000 0.446 74 M N -0.094 119.523 119.600 0.028 0.000 2.296 74 M HA -0.062 4.418 4.480 -0.000 0.000 0.265 74 M C 1.755 178.069 176.300 0.023 0.000 1.064 74 M CA 1.313 56.625 55.300 0.021 0.000 1.109 74 M CB -0.911 31.699 32.600 0.017 0.000 1.396 74 M HN 0.411 nan 8.290 nan 0.000 0.430 75 K N -0.560 119.854 120.400 0.025 0.000 2.148 75 K HA -0.101 4.219 4.320 -0.000 0.000 0.204 75 K C 1.987 178.606 176.600 0.032 0.000 1.050 75 K CA 0.745 57.046 56.287 0.025 0.000 0.942 75 K CB 0.050 32.563 32.500 0.023 0.000 0.724 75 K HN 0.167 nan 8.250 nan 0.000 0.446 76 R N 0.831 121.355 120.500 0.040 0.000 2.093 76 R HA 0.029 4.369 4.340 -0.000 0.000 0.224 76 R C 2.184 178.523 176.300 0.065 0.000 1.101 76 R CA 0.885 57.018 56.100 0.055 0.000 0.979 76 R CB -0.720 29.622 30.300 0.069 0.000 0.877 76 R HN 0.227 nan 8.270 nan 0.000 0.441 77 L N 0.277 121.530 121.223 0.051 0.000 2.291 77 L HA 0.064 4.404 4.340 -0.000 0.000 0.214 77 L C 2.155 179.045 176.870 0.034 0.000 1.120 77 L CA 0.872 55.734 54.840 0.038 0.000 0.799 77 L CB -0.480 41.575 42.059 -0.006 0.000 0.925 77 L HN 0.083 nan 8.230 nan 0.000 0.446 78 A N -0.124 122.714 122.820 0.030 0.000 2.168 78 A HA -0.099 4.221 4.320 -0.000 0.000 0.215 78 A C 2.354 179.955 177.584 0.029 0.000 1.152 78 A CA 1.283 53.335 52.037 0.025 0.000 0.716 78 A CB -0.339 18.672 19.000 0.019 0.000 0.794 78 A HN 0.475 nan 8.150 nan 0.000 0.465 79 S N -0.778 114.945 115.700 0.037 0.000 2.558 79 S HA 0.168 4.638 4.470 -0.000 0.000 0.217 79 S C 1.424 176.051 174.600 0.044 0.000 0.975 79 S CA 0.309 58.532 58.200 0.037 0.000 0.912 79 S CB -0.390 62.834 63.200 0.040 0.000 0.776 79 S HN 0.450 nan 8.310 nan 0.000 0.526 80 L N 0.948 122.204 121.223 0.054 0.000 2.446 80 L HA 0.305 4.645 4.340 -0.000 0.000 0.219 80 L C 1.647 178.546 176.870 0.048 0.000 1.116 80 L CA 0.381 55.260 54.840 0.065 0.000 0.844 80 L CB -0.925 41.192 42.059 0.096 0.000 0.970 80 L HN 0.562 nan 8.230 nan 0.000 0.457 81 G N 1.684 110.505 108.800 0.035 0.000 2.298 81 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.287 81 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.287 81 G C 0.195 175.108 174.900 0.021 0.000 1.075 81 G CA 0.295 45.409 45.100 0.023 0.000 0.960 81 G HN 0.240 nan 8.290 nan 0.000 0.502 82 V N -3.433 116.499 119.914 0.029 0.000 3.170 82 V HA 0.642 4.762 4.120 -0.000 0.000 0.309 82 V C 1.021 177.130 176.094 0.024 0.000 1.071 82 V CA 0.279 62.602 62.300 0.040 0.000 1.063 82 V CB 1.495 33.355 31.823 0.062 0.000 1.123 82 V HN 0.152 nan 8.190 nan 0.000 0.464 83 D N 0.160 120.578 120.400 0.030 0.000 2.324 83 D HA 0.226 4.866 4.640 -0.000 0.000 0.212 83 D C -0.069 176.247 176.300 0.027 0.000 0.984 83 D CA 0.777 54.774 54.000 -0.005 0.000 0.885 83 D CB 1.132 41.868 40.800 -0.106 0.000 0.996 83 D HN 0.391 nan 8.370 nan 0.000 0.505 84 L N 0.766 122.040 121.223 0.086 0.000 2.455 84 L HA 0.481 4.821 4.340 -0.000 0.000 0.264 84 L C -1.385 175.554 176.870 0.116 0.000 0.968 84 L CA -0.732 54.103 54.840 -0.008 0.000 0.827 84 L CB 2.597 44.531 42.059 -0.208 0.000 1.317 84 L HN -0.292 nan 8.230 nan 0.000 0.407 85 V N 4.071 124.018 119.914 0.054 0.000 3.159 85 V HA 0.778 4.898 4.120 -0.000 0.000 0.308 85 V C -1.696 174.460 176.094 0.103 0.000 1.190 85 V CA -0.377 62.008 62.300 0.142 0.000 1.037 85 V CB 2.591 34.447 31.823 0.055 0.000 1.060 85 V HN 1.086 nan 8.190 nan 0.000 0.437 86 N N 1.934 120.701 118.700 0.112 0.000 2.525 86 N HA 0.746 5.486 4.740 -0.000 0.000 0.270 86 N C -1.040 174.462 175.510 -0.013 0.000 1.321 86 N CA -0.115 52.960 53.050 0.042 0.000 0.797 86 N CB 1.840 40.381 38.487 0.090 0.000 1.529 86 N HN 1.002 nan 8.380 nan 0.000 0.491 87 V N -3.754 116.131 119.914 -0.049 0.000 3.158 87 V HA 0.634 4.754 4.120 -0.000 0.000 0.311 87 V C -0.736 175.278 176.094 -0.133 0.000 1.181 87 V CA -0.804 61.468 62.300 -0.046 0.000 1.054 87 V CB 1.826 33.639 31.823 -0.016 0.000 1.085 87 V HN 0.797 nan 8.190 nan 0.000 0.446 88 H N 0.733 119.738 119.070 -0.108 0.000 2.467 88 H HA 0.627 5.183 4.556 -0.000 0.000 0.326 88 H C 0.913 176.082 175.328 -0.265 0.000 1.094 88 H CA 0.356 56.279 56.048 -0.209 0.000 1.253 88 H CB 2.202 31.696 29.762 -0.447 0.000 1.439 88 H HN 0.995 nan 8.280 nan 0.000 0.479 89 A N 3.419 126.191 122.820 -0.080 0.000 2.121 89 A HA -0.027 4.292 4.320 -0.000 0.000 0.218 89 A C 2.099 179.417 177.584 -0.444 0.000 1.154 89 A CA 1.152 53.067 52.037 -0.204 0.000 0.679 89 A CB -0.221 18.707 19.000 -0.120 0.000 0.795 89 A HN 0.720 nan 8.150 nan 0.000 0.458 90 A N -0.635 121.954 122.820 -0.385 0.000 2.239 90 A HA 0.279 4.599 4.320 -0.000 0.000 0.209 90 A C 1.923 179.354 177.584 -0.255 0.000 1.171 90 A CA 1.138 52.957 52.037 -0.363 0.000 0.768 90 A CB -0.727 18.192 19.000 -0.136 0.000 0.790 90 A HN 0.623 nan 8.150 nan 0.000 0.478 91 G N -1.253 107.368 108.800 -0.298 0.000 2.838 91 G HA2 0.442 4.402 3.960 -0.000 0.000 0.210 91 G HA3 0.442 4.402 3.960 -0.000 0.000 0.210 91 G C 0.870 175.749 174.900 -0.035 0.000 1.153 91 G CA 0.577 45.644 45.100 -0.055 0.000 0.778 91 G HN 1.596 nan 8.290 nan 0.000 0.539 92 G N -0.312 108.422 108.800 -0.111 0.000 2.662 92 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.686 92 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.686 92 G C 0.453 175.316 174.900 -0.062 0.000 1.271 92 G CA 0.037 45.089 45.100 -0.081 0.000 0.816 92 G HN 0.218 nan 8.290 nan 0.000 0.608 93 K N 0.117 120.489 120.400 -0.048 0.000 2.026 93 K HA -0.074 4.246 4.320 -0.000 0.000 0.208 93 K C 2.605 179.195 176.600 -0.016 0.000 1.048 93 K CA 1.639 57.907 56.287 -0.033 0.000 0.929 93 K CB -0.101 32.382 32.500 -0.027 0.000 0.713 93 K HN 0.485 nan 8.250 nan 0.000 0.439 94 K N 0.816 121.210 120.400 -0.009 0.000 2.103 94 K HA -0.148 4.172 4.320 -0.000 0.000 0.207 94 K C 2.184 178.786 176.600 0.003 0.000 1.048 94 K CA 1.247 57.533 56.287 -0.001 0.000 0.930 94 K CB 0.011 32.513 32.500 0.003 0.000 0.716 94 K HN 0.113 nan 8.250 nan 0.000 0.444 95 M N 0.191 119.793 119.600 0.003 0.000 2.200 95 M HA -0.122 4.358 4.480 -0.000 0.000 0.265 95 M C 1.880 178.184 176.300 0.006 0.000 1.066 95 M CA 1.440 56.747 55.300 0.012 0.000 1.127 95 M CB -0.046 32.568 32.600 0.023 0.000 1.379 95 M HN 0.263 nan 8.290 nan 0.000 0.420 96 M N -0.625 118.971 119.600 -0.007 0.000 2.254 96 M HA -0.200 4.280 4.480 -0.000 0.000 0.265 96 M C 1.955 178.256 176.300 0.001 0.000 1.066 96 M CA 1.442 56.737 55.300 -0.007 0.000 1.123 96 M CB -0.346 32.244 32.600 -0.017 0.000 1.388 96 M HN 0.339 nan 8.290 nan 0.000 0.425 97 Q N 0.098 119.898 119.800 0.002 0.000 2.083 97 Q HA -0.068 4.272 4.340 -0.000 0.000 0.198 97 Q C 2.267 178.271 176.000 0.007 0.000 0.969 97 Q CA 1.538 57.344 55.803 0.005 0.000 0.838 97 Q CB -0.184 28.556 28.738 0.004 0.000 0.900 97 Q HN 0.561 nan 8.270 nan 0.000 0.436 98 A N 0.944 123.769 122.820 0.008 0.000 1.972 98 A HA -0.120 4.200 4.320 -0.000 0.000 0.219 98 A C 2.228 179.819 177.584 0.012 0.000 1.169 98 A CA 1.553 53.596 52.037 0.011 0.000 0.635 98 A CB -0.652 18.356 19.000 0.013 0.000 0.810 98 A HN 0.397 nan 8.150 nan 0.000 0.446 99 A N -0.689 122.138 122.820 0.012 0.000 1.930 99 A HA 0.040 4.360 4.320 -0.000 0.000 0.217 99 A C 2.100 179.689 177.584 0.008 0.000 1.175 99 A CA 1.571 53.615 52.037 0.012 0.000 0.627 99 A CB -0.506 18.499 19.000 0.010 0.000 0.815 99 A HN 0.584 nan 8.150 nan 0.000 0.443 100 L N 0.032 121.259 121.223 0.007 0.000 2.056 100 L HA -0.105 4.235 4.340 -0.000 0.000 0.207 100 L C 2.197 179.072 176.870 0.008 0.000 1.078 100 L CA 2.218 57.061 54.840 0.006 0.000 0.749 100 L CB -0.513 41.551 42.059 0.008 0.000 0.901 100 L HN 0.499 nan 8.230 nan 0.000 0.433 101 E N -0.822 119.383 120.200 0.009 0.000 2.077 101 E HA -0.158 4.192 4.350 -0.000 0.000 0.193 101 E C 2.045 178.651 176.600 0.010 0.000 0.989 101 E CA 0.968 57.373 56.400 0.009 0.000 0.800 101 E CB -0.453 29.252 29.700 0.009 0.000 0.746 101 E HN 0.667 nan 8.360 nan 0.000 0.452 102 G N 0.962 109.768 108.800 0.011 0.000 2.408 102 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.217 102 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.217 102 G C 1.511 176.419 174.900 0.013 0.000 1.150 102 G CA 0.213 45.321 45.100 0.013 0.000 0.776 102 G HN 0.080 nan 8.290 nan 0.000 0.542 103 L N 1.280 122.509 121.223 0.011 0.000 2.072 103 L HA 0.027 4.367 4.340 -0.000 0.000 0.205 103 L C 2.973 179.848 176.870 0.009 0.000 1.079 103 L CA 2.269 57.114 54.840 0.009 0.000 0.752 103 L CB -0.479 41.584 42.059 0.006 0.000 0.906 103 L HN 0.588 nan 8.230 nan 0.000 0.436 104 E N -1.295 118.910 120.200 0.008 0.000 2.208 104 E HA -0.249 4.101 4.350 -0.000 0.000 0.193 104 E C 1.835 178.440 176.600 0.008 0.000 0.988 104 E CA 1.140 57.544 56.400 0.007 0.000 0.828 104 E CB -0.370 29.334 29.700 0.007 0.000 0.763 104 E HN 0.671 nan 8.360 nan 0.000 0.478 105 E N 0.881 121.086 120.200 0.009 0.000 2.122 105 E HA -0.041 4.309 4.350 -0.000 0.000 0.190 105 E C 2.057 178.663 176.600 0.011 0.000 0.977 105 E CA 0.871 57.277 56.400 0.010 0.000 0.820 105 E CB -0.091 29.616 29.700 0.010 0.000 0.770 105 E HN 0.366 nan 8.360 nan 0.000 0.462 106 G N 0.073 108.881 108.800 0.013 0.000 2.572 106 G HA2 -0.064 3.896 3.960 -0.000 0.000 0.216 106 G HA3 -0.064 3.896 3.960 -0.000 0.000 0.216 106 G C 0.622 175.531 174.900 0.015 0.000 1.133 106 G CA 0.243 45.353 45.100 0.016 0.000 0.791 106 G HN 0.113 nan 8.290 nan 0.000 0.538 107 T N 2.931 117.493 114.554 0.012 0.000 2.814 107 T HA 0.381 4.731 4.350 -0.000 0.000 0.297 107 T C -2.184 172.522 174.700 0.010 0.000 0.956 107 T CA -0.701 61.406 62.100 0.011 0.000 1.123 107 T CB 1.643 70.516 68.868 0.008 0.000 0.902 107 T HN -0.033 nan 8.240 nan 0.000 0.528 108 P HA 0.301 nan 4.420 nan 0.000 0.269 108 P C -0.661 176.643 177.300 0.006 0.000 1.215 108 P CA -0.465 62.640 63.100 0.008 0.000 0.780 108 P CB 0.387 32.092 31.700 0.009 0.000 0.898 109 A N 2.134 124.957 122.820 0.006 0.000 2.511 109 A HA 0.442 4.762 4.320 -0.000 0.000 0.242 109 A C 1.512 179.098 177.584 0.003 0.000 1.069 109 A CA 0.774 52.813 52.037 0.004 0.000 0.763 109 A CB -1.177 17.826 19.000 0.004 0.000 1.001 109 A HN 0.862 nan 8.150 nan 0.000 0.498 110 G N 1.313 110.114 108.800 0.002 0.000 2.268 110 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.240 110 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.240 110 G C 0.450 175.350 174.900 -0.001 0.000 1.010 110 G CA 0.522 45.623 45.100 0.001 0.000 0.618 110 G HN 0.748 nan 8.290 nan 0.000 0.516 111 K N 0.732 121.132 120.400 0.000 0.000 2.118 111 K HA 0.490 4.810 4.320 -0.000 0.000 0.267 111 K C 0.039 176.637 176.600 -0.002 0.000 0.991 111 K CA -0.674 55.612 56.287 -0.001 0.000 0.916 111 K CB 1.279 33.780 32.500 0.001 0.000 1.041 111 K HN 0.075 nan 8.250 nan 0.000 0.455 112 K N 2.142 122.538 120.400 -0.006 0.000 2.322 112 K HA 0.077 4.397 4.320 -0.000 0.000 0.283 112 K C 0.174 176.771 176.600 -0.006 0.000 1.042 112 K CA -0.149 56.133 56.287 -0.008 0.000 0.958 112 K CB 0.535 33.026 32.500 -0.014 0.000 0.984 112 K HN 0.266 nan 8.250 nan 0.000 0.473 113 R N 4.370 124.867 120.500 -0.004 0.000 2.449 113 R HA 0.085 4.425 4.340 -0.000 0.000 0.296 113 R C -2.197 174.098 176.300 -0.007 0.000 1.047 113 R CA -1.332 54.766 56.100 -0.003 0.000 1.018 113 R CB 0.137 30.436 30.300 -0.002 0.000 0.962 113 R HN 0.442 nan 8.270 nan 0.000 0.428 114 P HA 0.030 nan 4.420 nan 0.000 0.268 114 P C -0.767 176.522 177.300 -0.018 0.000 1.204 114 P CA 0.194 63.290 63.100 -0.007 0.000 0.768 114 P CB 0.657 32.360 31.700 0.005 0.000 0.842 115 S N 2.352 118.033 115.700 -0.033 0.000 2.533 115 S HA 0.177 4.647 4.470 -0.000 0.000 0.282 115 S C -0.019 174.535 174.600 -0.076 0.000 1.304 115 S CA -0.130 58.035 58.200 -0.058 0.000 1.063 115 S CB -0.101 63.053 63.200 -0.077 0.000 0.881 115 S HN 0.305 nan 8.310 nan 0.000 0.493 116 L N 5.885 127.063 121.223 -0.075 0.000 2.298 116 L HA 0.639 4.979 4.340 -0.000 0.000 0.284 116 L C -0.561 176.239 176.870 -0.116 0.000 1.013 116 L CA -0.380 54.416 54.840 -0.073 0.000 0.824 116 L CB 0.551 42.588 42.059 -0.037 0.000 1.221 116 L HN 0.660 nan 8.230 nan 0.000 0.418 117 I N 1.995 122.483 120.570 -0.137 0.000 2.693 117 I HA 0.963 5.133 4.170 -0.000 0.000 0.303 117 I C -0.541 175.510 176.117 -0.111 0.000 1.025 117 I CA -0.948 60.245 61.300 -0.178 0.000 1.086 117 I CB 2.129 39.975 38.000 -0.256 0.000 1.268 117 I HN 0.663 nan 8.210 nan 0.000 0.440 118 A N 4.485 127.245 122.820 -0.100 0.000 2.331 118 A HA 0.681 5.001 4.320 -0.000 0.000 0.320 118 A C -0.481 177.069 177.584 -0.057 0.000 1.138 118 A CA -0.652 51.346 52.037 -0.064 0.000 0.790 118 A CB 1.366 20.353 19.000 -0.021 0.000 1.206 118 A HN 0.575 nan 8.150 nan 0.000 0.470 119 V N 3.470 123.314 119.914 -0.117 0.000 2.479 119 V HA 0.193 4.313 4.120 -0.000 0.000 0.281 119 V C 1.530 177.665 176.094 0.067 0.000 1.031 119 V CA 0.692 62.925 62.300 -0.110 0.000 1.038 119 V CB 0.177 31.765 31.823 -0.392 0.000 0.981 119 V HN 1.162 nan 8.190 nan 0.000 0.478 120 T N 2.700 117.329 114.554 0.125 0.000 3.266 120 T HA 0.123 4.473 4.350 -0.000 0.000 0.215 120 T C 0.371 175.207 174.700 0.226 0.000 0.957 120 T CA 0.065 62.319 62.100 0.257 0.000 1.730 120 T CB 0.148 69.092 68.868 0.126 0.000 1.427 120 T HN 0.479 nan 8.240 nan 0.000 0.445 121 Q N 1.165 121.012 119.800 0.078 0.000 2.331 121 Q HA 0.535 4.875 4.340 -0.000 0.000 0.267 121 Q C -0.776 175.258 176.000 0.057 0.000 1.006 121 Q CA -0.400 55.437 55.803 0.057 0.000 0.818 121 Q CB 2.043 30.763 28.738 -0.030 0.000 1.276 121 Q HN 0.516 nan 8.270 nan 0.000 0.450 122 L N 1.685 122.960 121.223 0.085 0.000 2.559 122 L HA -0.061 4.279 4.340 -0.000 0.000 0.282 122 L C 1.790 178.677 176.870 0.028 0.000 1.232 122 L CA 0.390 55.267 54.840 0.061 0.000 0.885 122 L CB 0.086 42.194 42.059 0.081 0.000 1.131 122 L HN 0.773 nan 8.230 nan 0.000 0.498 123 T N -3.173 111.387 114.554 0.010 0.000 3.025 123 T HA -0.132 4.218 4.350 -0.000 0.000 0.270 123 T C 1.419 176.125 174.700 0.010 0.000 1.126 123 T CA 1.000 63.102 62.100 0.004 0.000 1.105 123 T CB -0.251 68.608 68.868 -0.015 0.000 0.884 123 T HN 0.749 nan 8.240 nan 0.000 0.522 124 S N -0.290 115.416 115.700 0.010 0.000 2.535 124 S HA 0.163 4.632 4.470 -0.000 0.000 0.214 124 S C 0.659 175.267 174.600 0.013 0.000 0.980 124 S CA -0.575 57.630 58.200 0.009 0.000 0.907 124 S CB -0.220 62.982 63.200 0.004 0.000 0.790 124 S HN 0.418 nan 8.310 nan 0.000 0.510 125 T N 3.603 118.168 114.554 0.018 0.000 2.806 125 T HA 0.546 4.896 4.350 -0.000 0.000 0.290 125 T C 0.211 174.918 174.700 0.011 0.000 0.966 125 T CA -0.428 61.682 62.100 0.016 0.000 1.060 125 T CB 1.372 70.254 68.868 0.022 0.000 0.927 125 T HN 0.518 nan 8.240 nan 0.000 0.485 126 S N 1.854 117.558 115.700 0.007 0.000 2.690 126 S HA 0.366 4.836 4.470 -0.000 0.000 0.291 126 S C 1.149 175.747 174.600 -0.003 0.000 1.138 126 S CA -0.935 57.267 58.200 0.003 0.000 1.013 126 S CB 1.539 64.740 63.200 0.002 0.000 1.053 126 S HN 0.779 nan 8.310 nan 0.000 0.539 127 E N 0.028 120.223 120.200 -0.007 0.000 2.153 127 E HA -0.212 4.138 4.350 -0.000 0.000 0.194 127 E C 1.977 178.570 176.600 -0.011 0.000 0.988 127 E CA 1.037 57.429 56.400 -0.013 0.000 0.811 127 E CB -0.100 29.591 29.700 -0.015 0.000 0.746 127 E HN 0.759 nan 8.360 nan 0.000 0.466 128 Q N 0.093 119.888 119.800 -0.008 0.000 2.079 128 Q HA -0.153 4.187 4.340 -0.000 0.000 0.200 128 Q C 2.075 178.073 176.000 -0.004 0.000 0.974 128 Q CA 0.974 56.773 55.803 -0.006 0.000 0.840 128 Q CB 0.117 28.852 28.738 -0.005 0.000 0.898 128 Q HN 0.354 nan 8.270 nan 0.000 0.430 129 I N 0.581 121.150 120.570 -0.002 0.000 2.439 129 I HA -0.229 3.941 4.170 -0.000 0.000 0.251 129 I C 2.317 178.435 176.117 0.002 0.000 1.139 129 I CA 1.019 62.319 61.300 0.001 0.000 1.438 129 I CB -0.885 37.117 38.000 0.004 0.000 1.085 129 I HN 0.363 nan 8.210 nan 0.000 0.427 130 M N -0.131 119.468 119.600 -0.002 0.000 2.319 130 M HA -0.173 4.306 4.480 -0.000 0.000 0.265 130 M C 2.182 178.478 176.300 -0.006 0.000 1.068 130 M CA 1.429 56.726 55.300 -0.005 0.000 1.118 130 M CB 0.050 32.638 32.600 -0.019 0.000 1.395 130 M HN 0.046 nan 8.290 nan 0.000 0.435 131 K N 0.156 120.552 120.400 -0.007 0.000 2.078 131 K HA -0.081 4.239 4.320 -0.000 0.000 0.203 131 K C 1.232 177.831 176.600 -0.003 0.000 1.043 131 K CA 1.302 57.584 56.287 -0.007 0.000 0.960 131 K CB -0.053 32.441 32.500 -0.010 0.000 0.761 131 K HN 0.250 nan 8.250 nan 0.000 0.448 132 D N 0.840 121.239 120.400 -0.002 0.000 2.183 132 D HA -0.092 4.548 4.640 -0.000 0.000 0.203 132 D C 1.554 177.855 176.300 0.002 0.000 0.969 132 D CA 1.191 55.190 54.000 -0.001 0.000 0.842 132 D CB 0.230 41.029 40.800 -0.001 0.000 0.957 132 D HN 0.370 nan 8.370 nan 0.000 0.484 133 E N -0.546 119.656 120.200 0.004 0.000 2.244 133 E HA 0.169 4.519 4.350 -0.000 0.000 0.196 133 E C 1.898 178.504 176.600 0.010 0.000 0.939 133 E CA 0.005 56.409 56.400 0.006 0.000 0.884 133 E CB 0.460 30.163 29.700 0.006 0.000 0.850 133 E HN 0.144 nan 8.360 nan 0.000 0.481 134 L N 0.553 121.784 121.223 0.014 0.000 2.529 134 L HA 0.186 4.526 4.340 -0.000 0.000 0.223 134 L C 0.662 177.547 176.870 0.026 0.000 1.113 134 L CA 0.260 55.115 54.840 0.025 0.000 0.861 134 L CB -0.031 42.049 42.059 0.035 0.000 1.012 134 L HN 0.208 nan 8.230 nan 0.000 0.461 135 L N 0.129 121.361 121.223 0.015 0.000 4.089 135 L HA -0.214 4.126 4.340 -0.000 0.000 0.408 135 L C -0.030 176.847 176.870 0.012 0.000 1.184 135 L CA 0.270 55.117 54.840 0.012 0.000 0.947 135 L CB -1.689 40.377 42.059 0.013 0.000 2.066 135 L HN 0.204 nan 8.230 nan 0.000 0.851 136 I N 0.471 121.047 120.570 0.009 0.000 2.297 136 I HA 0.091 4.261 4.170 -0.000 0.000 0.291 136 I C 1.551 177.658 176.117 -0.016 0.000 1.033 136 I CA -0.353 60.946 61.300 -0.001 0.000 1.253 136 I CB 1.048 39.043 38.000 -0.009 0.000 1.396 136 I HN 0.099 nan 8.210 nan 0.000 0.476 137 E N 4.579 124.768 120.200 -0.018 0.000 2.285 137 E HA 0.002 4.352 4.350 -0.000 0.000 0.194 137 E C 0.410 176.992 176.600 -0.029 0.000 0.997 137 E CA 0.537 56.924 56.400 -0.021 0.000 0.845 137 E CB 0.152 29.842 29.700 -0.017 0.000 0.782 137 E HN 0.472 nan 8.360 nan 0.000 0.491 138 K N 1.737 122.113 120.400 -0.041 0.000 2.180 138 K HA 0.126 4.446 4.320 -0.000 0.000 0.251 138 K C 0.647 177.217 176.600 -0.050 0.000 1.014 138 K CA -0.107 56.151 56.287 -0.050 0.000 0.913 138 K CB 0.705 33.162 32.500 -0.071 0.000 1.008 138 K HN 0.017 nan 8.250 nan 0.000 0.490 139 S N 0.580 116.253 115.700 -0.044 0.000 2.579 139 S HA 0.035 4.505 4.470 -0.000 0.000 0.275 139 S C 1.466 176.032 174.600 -0.058 0.000 1.345 139 S CA -0.581 57.595 58.200 -0.040 0.000 1.031 139 S CB 0.531 63.715 63.200 -0.028 0.000 0.892 139 S HN 0.630 nan 8.310 nan 0.000 0.529 140 L N 2.257 123.448 121.223 -0.052 0.000 2.043 140 L HA -0.085 4.254 4.340 -0.000 0.000 0.212 140 L C 2.337 179.165 176.870 -0.070 0.000 1.075 140 L CA 1.672 56.472 54.840 -0.067 0.000 0.752 140 L CB -0.369 41.665 42.059 -0.041 0.000 0.891 140 L HN 0.916 nan 8.230 nan 0.000 0.432 141 I N -0.574 119.972 120.570 -0.039 0.000 2.226 141 I HA -0.323 3.846 4.170 -0.000 0.000 0.245 141 I C 1.880 177.977 176.117 -0.032 0.000 1.100 141 I CA 1.749 63.034 61.300 -0.025 0.000 1.374 141 I CB -0.212 37.787 38.000 -0.003 0.000 1.057 141 I HN 0.344 nan 8.210 nan 0.000 0.413 142 D N -0.088 120.292 120.400 -0.033 0.000 2.178 142 D HA -0.137 4.503 4.640 -0.000 0.000 0.202 142 D C 2.129 178.411 176.300 -0.031 0.000 0.974 142 D CA 1.532 55.520 54.000 -0.020 0.000 0.841 142 D CB -0.069 40.718 40.800 -0.021 0.000 0.953 142 D HN 0.367 nan 8.370 nan 0.000 0.478 143 T N 0.341 114.830 114.554 -0.108 0.000 2.812 143 T HA -0.060 4.289 4.350 -0.000 0.000 0.264 143 T C 2.254 176.763 174.700 -0.319 0.000 1.042 143 T CA 0.477 62.429 62.100 -0.246 0.000 1.140 143 T CB -0.130 68.529 68.868 -0.348 0.000 0.870 143 T HN -0.033 nan 8.240 nan 0.000 0.445 144 V N 1.357 121.148 119.914 -0.205 0.000 2.427 144 V HA -0.122 3.998 4.120 -0.000 0.000 0.248 144 V C 2.622 178.713 176.094 -0.005 0.000 1.051 144 V CA 1.211 63.442 62.300 -0.115 0.000 1.048 144 V CB -0.580 31.204 31.823 -0.066 0.000 0.666 144 V HN 0.315 nan 8.190 nan 0.000 0.456 145 V N -0.413 119.502 119.914 0.002 0.000 2.358 145 V HA -0.268 3.852 4.120 -0.000 0.000 0.246 145 V C 2.346 178.477 176.094 0.061 0.000 1.047 145 V CA 2.376 64.688 62.300 0.019 0.000 1.035 145 V CB -0.827 31.003 31.823 0.011 0.000 0.658 145 V HN 0.675 nan 8.190 nan 0.000 0.452 146 H N -0.854 118.233 119.070 0.028 0.000 2.326 146 H HA -0.160 4.396 4.556 -0.000 0.000 0.301 146 H C 2.151 177.608 175.328 0.215 0.000 1.081 146 H CA 2.074 58.180 56.048 0.098 0.000 1.334 146 H CB -0.282 29.547 29.762 0.112 0.000 1.385 146 H HN 0.521 nan 8.280 nan 0.000 0.504 147 Y N -0.675 119.671 120.300 0.075 0.000 2.274 147 Y HA -0.191 4.359 4.550 -0.000 0.000 0.290 147 Y C 2.760 178.665 175.900 0.008 0.000 1.145 147 Y CA 0.478 58.601 58.100 0.039 0.000 1.203 147 Y CB 0.167 38.666 38.460 0.066 0.000 0.984 147 Y HN 0.253 nan 8.280 nan 0.000 0.533 148 S N -0.093 115.711 115.700 0.173 0.000 2.387 148 S HA -0.126 4.344 4.470 -0.000 0.000 0.226 148 S C 1.771 176.351 174.600 -0.034 0.000 1.026 148 S CA 0.893 59.176 58.200 0.139 0.000 0.972 148 S CB -0.101 63.161 63.200 0.103 0.000 0.814 148 S HN 0.376 nan 8.310 nan 0.000 0.477 149 K N 0.792 121.122 120.400 -0.116 0.000 2.097 149 K HA -0.008 4.312 4.320 -0.000 0.000 0.205 149 K C 2.271 178.772 176.600 -0.165 0.000 1.050 149 K CA 0.810 56.977 56.287 -0.200 0.000 0.938 149 K CB -0.081 32.291 32.500 -0.213 0.000 0.718 149 K HN 0.242 nan 8.250 nan 0.000 0.442 150 Q N 0.167 119.877 119.800 -0.150 0.000 2.119 150 Q HA -0.080 4.260 4.340 -0.000 0.000 0.201 150 Q C 2.122 178.098 176.000 -0.040 0.000 0.972 150 Q CA 1.430 57.163 55.803 -0.117 0.000 0.847 150 Q CB -0.322 28.340 28.738 -0.125 0.000 0.903 150 Q HN 0.294 nan 8.270 nan 0.000 0.433 151 A N 1.059 123.894 122.820 0.026 0.000 1.898 151 A HA -0.205 4.115 4.320 -0.000 0.000 0.216 151 A C 2.055 179.731 177.584 0.153 0.000 1.181 151 A CA 1.603 53.706 52.037 0.110 0.000 0.620 151 A CB -0.446 18.687 19.000 0.221 0.000 0.819 151 A HN 0.434 nan 8.150 nan 0.000 0.442 152 E N -0.188 120.068 120.200 0.093 0.000 2.072 152 E HA -0.191 4.159 4.350 -0.000 0.000 0.191 152 E C 1.788 178.386 176.600 -0.003 0.000 0.985 152 E CA 1.182 57.595 56.400 0.021 0.000 0.801 152 E CB -0.101 29.380 29.700 -0.366 0.000 0.750 152 E HN 0.731 nan 8.360 nan 0.000 0.452 153 E N -0.257 119.918 120.200 -0.041 0.000 2.338 153 E HA -0.065 4.285 4.350 -0.000 0.000 0.197 153 E C 1.697 178.291 176.600 -0.010 0.000 1.007 153 E CA 0.719 57.098 56.400 -0.035 0.000 0.849 153 E CB 0.207 29.874 29.700 -0.055 0.000 0.774 153 E HN 0.064 nan 8.360 nan 0.000 0.506 154 S N -0.964 114.740 115.700 0.006 0.000 2.558 154 S HA 0.121 4.591 4.470 -0.000 0.000 0.217 154 S C 1.318 175.933 174.600 0.026 0.000 0.975 154 S CA 0.528 58.734 58.200 0.011 0.000 0.912 154 S CB 0.835 64.040 63.200 0.008 0.000 0.776 154 S HN 0.493 nan 8.310 nan 0.000 0.526 155 G N 0.860 109.686 108.800 0.045 0.000 2.159 155 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.227 155 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.227 155 G C -0.170 174.772 174.900 0.071 0.000 0.986 155 G CA -0.392 44.740 45.100 0.053 0.000 0.651 155 G HN 0.309 nan 8.290 nan 0.000 0.523 156 L N 1.288 122.569 121.223 0.097 0.000 2.436 156 L HA 0.396 4.736 4.340 -0.000 0.000 0.265 156 L C 1.428 178.352 176.870 0.091 0.000 1.168 156 L CA 0.312 55.195 54.840 0.072 0.000 0.815 156 L CB 0.578 42.667 42.059 0.050 0.000 1.109 156 L HN 0.114 nan 8.230 nan 0.000 0.462 157 D N 0.670 121.034 120.400 -0.060 0.000 2.323 157 D HA 0.148 4.788 4.640 -0.000 0.000 0.209 157 D C 0.775 176.752 176.300 -0.538 0.000 0.973 157 D CA 0.991 54.905 54.000 -0.144 0.000 0.874 157 D CB 0.764 41.494 40.800 -0.116 0.000 0.930 157 D HN 0.670 nan 8.370 nan 0.000 0.521 158 G N -0.308 108.000 108.800 -0.819 0.000 2.428 158 G HA2 0.431 4.391 3.960 -0.000 0.000 0.305 158 G HA3 0.431 4.391 3.960 -0.000 0.000 0.305 158 G C -1.563 172.847 174.900 -0.816 0.000 1.260 158 G CA -0.088 44.166 45.100 -1.411 0.000 0.853 158 G HN 0.127 nan 8.290 nan 0.000 0.480 159 V N -2.945 116.644 119.914 -0.541 0.000 3.159 159 V HA 0.893 5.013 4.120 -0.000 0.000 0.308 159 V C -0.762 175.239 176.094 -0.156 0.000 1.190 159 V CA -1.100 61.078 62.300 -0.204 0.000 1.037 159 V CB 1.481 33.298 31.823 -0.009 0.000 1.060 159 V HN 0.964 nan 8.190 nan 0.000 0.437 160 V N 1.809 121.671 119.914 -0.087 0.000 2.398 160 V HA 0.789 4.909 4.120 -0.000 0.000 0.286 160 V C 0.286 176.358 176.094 -0.036 0.000 1.026 160 V CA 0.341 62.604 62.300 -0.062 0.000 0.868 160 V CB 0.763 32.567 31.823 -0.031 0.000 0.982 160 V HN 1.505 nan 8.190 nan 0.000 0.443 161 C N 2.186 121.461 119.300 -0.043 0.000 3.276 161 C HA 0.901 5.361 4.460 -0.000 0.000 0.370 161 C C 0.132 175.093 174.990 -0.049 0.000 1.624 161 C CA -0.369 58.630 59.018 -0.032 0.000 1.179 161 C CB 1.306 29.027 27.740 -0.032 0.000 1.909 161 C HN 0.877 nan 8.230 nan 0.000 0.434 162 S N 0.007 115.677 115.700 -0.051 0.000 2.713 162 S HA 0.525 4.995 4.470 -0.000 0.000 0.283 162 S C 0.776 175.289 174.600 -0.145 0.000 1.161 162 S CA 0.132 58.275 58.200 -0.095 0.000 0.999 162 S CB 1.136 64.298 63.200 -0.063 0.000 1.039 162 S HN 1.305 nan 8.310 nan 0.000 0.548 163 V N 1.885 121.631 119.914 -0.281 0.000 2.392 163 V HA -0.140 3.980 4.120 -0.000 0.000 0.249 163 V C 2.061 178.005 176.094 -0.250 0.000 1.059 163 V CA 1.846 63.973 62.300 -0.289 0.000 1.051 163 V CB -1.285 30.306 31.823 -0.387 0.000 0.658 163 V HN 0.874 nan 8.190 nan 0.000 0.455 164 H N -0.103 118.984 119.070 0.029 0.000 2.563 164 H HA 0.032 4.588 4.556 -0.000 0.000 0.272 164 H C 1.759 177.098 175.328 0.018 0.000 1.005 164 H CA 0.893 56.955 56.048 0.025 0.000 1.171 164 H CB 0.089 29.860 29.762 0.015 0.000 1.351 164 H HN 0.554 nan 8.280 nan 0.000 0.602 165 E N -0.085 120.147 120.200 0.054 0.000 2.490 165 E HA 0.226 4.576 4.350 -0.000 0.000 0.209 165 E C 2.158 178.758 176.600 0.000 0.000 0.971 165 E CA 0.401 56.818 56.400 0.027 0.000 0.988 165 E CB 0.443 30.144 29.700 0.002 0.000 1.029 165 E HN 0.284 nan 8.360 nan 0.000 0.496 166 A N 1.722 124.546 122.820 0.008 0.000 1.892 166 A HA -0.292 4.028 4.320 -0.000 0.000 0.218 166 A C 1.911 179.550 177.584 0.091 0.000 1.188 166 A CA 1.727 53.771 52.037 0.012 0.000 0.631 166 A CB -0.296 18.777 19.000 0.123 0.000 0.822 166 A HN 0.064 nan 8.150 nan 0.000 0.447 167 K N -0.670 119.818 120.400 0.146 0.000 2.097 167 K HA -0.023 4.296 4.320 -0.000 0.000 0.206 167 K C 2.238 178.907 176.600 0.115 0.000 1.049 167 K CA 1.011 57.402 56.287 0.173 0.000 0.933 167 K CB -0.266 32.310 32.500 0.126 0.000 0.717 167 K HN 0.470 nan 8.250 nan 0.000 0.442 168 A N 1.069 123.924 122.820 0.058 0.000 1.968 168 A HA -0.077 4.243 4.320 -0.000 0.000 0.217 168 A C 2.028 179.609 177.584 -0.004 0.000 1.169 168 A CA 1.002 53.057 52.037 0.030 0.000 0.638 168 A CB -0.366 18.646 19.000 0.020 0.000 0.812 168 A HN 0.141 nan 8.150 nan 0.000 0.446 169 I N -1.920 118.612 120.570 -0.063 0.000 2.202 169 I HA -0.246 3.924 4.170 -0.000 0.000 0.242 169 I C 2.095 178.122 176.117 -0.151 0.000 1.091 169 I CA 1.262 62.474 61.300 -0.148 0.000 1.368 169 I CB -0.382 37.471 38.000 -0.244 0.000 1.058 169 I HN 0.409 nan 8.210 nan 0.000 0.410 170 Y N 0.637 120.964 120.300 0.044 0.000 2.569 170 Y HA -0.207 4.343 4.550 -0.000 0.000 0.293 170 Y C 2.422 178.325 175.900 0.005 0.000 1.144 170 Y CA 0.539 58.658 58.100 0.032 0.000 1.321 170 Y CB -0.215 38.273 38.460 0.048 0.000 0.982 170 Y HN 0.274 nan 8.280 nan 0.000 0.558 171 Q N -1.041 118.829 119.800 0.117 0.000 2.389 171 Q HA 0.033 4.373 4.340 -0.000 0.000 0.204 171 Q C 2.057 178.072 176.000 0.024 0.000 0.944 171 Q CA 0.804 56.647 55.803 0.067 0.000 0.908 171 Q CB 0.210 28.978 28.738 0.050 0.000 1.002 171 Q HN 0.472 nan 8.270 nan 0.000 0.493 172 A N -0.042 122.774 122.820 -0.008 0.000 2.192 172 A HA 0.213 4.533 4.320 -0.000 0.000 0.208 172 A C 0.829 178.352 177.584 -0.103 0.000 1.220 172 A CA 0.023 52.030 52.037 -0.050 0.000 0.900 172 A CB 0.460 19.424 19.000 -0.061 0.000 0.937 172 A HN 0.176 nan 8.150 nan 0.000 0.487 173 V N -2.611 117.227 119.914 -0.126 0.000 3.234 173 V HA 0.729 4.849 4.120 -0.000 0.000 0.317 173 V C 0.425 176.488 176.094 -0.052 0.000 1.147 173 V CA -0.379 61.785 62.300 -0.228 0.000 1.037 173 V CB 1.087 32.559 31.823 -0.585 0.000 1.148 173 V HN 0.213 nan 8.190 nan 0.000 0.455 174 S N 0.654 116.315 115.700 -0.065 0.000 2.576 174 S HA 0.352 4.822 4.470 -0.000 0.000 0.276 174 S C -1.482 173.235 174.600 0.196 0.000 1.339 174 S CA -0.456 57.778 58.200 0.057 0.000 1.039 174 S CB 0.794 64.025 63.200 0.051 0.000 0.902 174 S HN 0.779 nan 8.310 nan 0.000 0.516 175 P HA -0.037 nan 4.420 nan 0.000 0.222 175 P C 1.105 178.476 177.300 0.118 0.000 1.147 175 P CA 0.873 64.021 63.100 0.081 0.000 0.790 175 P CB 0.012 31.707 31.700 -0.008 0.000 0.780 176 S N -2.424 113.372 115.700 0.160 0.000 2.603 176 S HA 0.027 4.497 4.470 -0.000 0.000 0.220 176 S C 0.458 175.208 174.600 0.250 0.000 0.967 176 S CA -0.342 57.951 58.200 0.156 0.000 0.920 176 S CB -1.074 62.191 63.200 0.109 0.000 0.773 176 S HN -0.051 nan 8.310 nan 0.000 0.529 177 F N 2.795 122.842 119.950 0.162 0.000 2.495 177 F HA 0.443 4.970 4.527 -0.000 0.000 0.365 177 F C 0.125 176.044 175.800 0.200 0.000 1.090 177 F CA -1.434 56.653 58.000 0.145 0.000 1.235 177 F CB 0.341 39.411 39.000 0.117 0.000 1.119 177 F HN 0.040 nan 8.300 nan 0.000 0.562 178 L N 4.661 125.757 121.223 -0.213 0.000 2.371 178 L HA 0.354 4.694 4.340 -0.000 0.000 0.272 178 L C 0.160 176.905 176.870 -0.207 0.000 1.124 178 L CA -0.459 54.294 54.840 -0.146 0.000 0.816 178 L CB 0.915 42.846 42.059 -0.213 0.000 1.129 178 L HN 0.666 nan 8.230 nan 0.000 0.448 179 T N -0.406 114.131 114.554 -0.029 0.000 2.934 179 T HA 0.478 4.828 4.350 -0.000 0.000 0.328 179 T C -0.475 174.192 174.700 -0.055 0.000 1.068 179 T CA -0.670 61.396 62.100 -0.056 0.000 1.018 179 T CB 0.937 69.805 68.868 -0.000 0.000 1.009 179 T HN 0.137 nan 8.240 nan 0.000 0.471 180 V N 4.543 124.380 119.914 -0.127 0.000 2.385 180 V HA 0.541 4.661 4.120 -0.000 0.000 0.269 180 V C 0.805 176.834 176.094 -0.108 0.000 1.043 180 V CA -0.512 61.696 62.300 -0.152 0.000 0.906 180 V CB 0.924 32.602 31.823 -0.242 0.000 0.995 180 V HN 1.078 nan 8.190 nan 0.000 0.467 181 T N 4.688 119.170 114.554 -0.120 0.000 2.788 181 T HA 0.634 4.984 4.350 -0.000 0.000 0.296 181 T C -2.743 171.884 174.700 -0.122 0.000 1.009 181 T CA -1.979 60.056 62.100 -0.108 0.000 0.949 181 T CB 2.096 70.905 68.868 -0.097 0.000 0.946 181 T HN 0.370 nan 8.240 nan 0.000 0.453 182 P HA 0.653 nan 4.420 nan 0.000 0.321 182 P C 0.790 178.043 177.300 -0.079 0.000 1.304 182 P CA -0.064 62.983 63.100 -0.089 0.000 0.759 182 P CB 0.351 32.008 31.700 -0.072 0.000 1.385 183 G N -1.019 107.742 108.800 -0.064 0.000 2.182 183 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.248 183 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.248 183 G C -0.293 174.584 174.900 -0.039 0.000 1.042 183 G CA -0.472 44.602 45.100 -0.043 0.000 0.775 183 G HN 0.307 nan 8.290 nan 0.000 0.501 184 I N 0.556 121.095 120.570 -0.050 0.000 2.331 184 I HA 0.612 4.782 4.170 -0.000 0.000 0.292 184 I C 0.484 176.590 176.117 -0.017 0.000 0.998 184 I CA -0.465 60.811 61.300 -0.040 0.000 1.267 184 I CB 1.217 39.174 38.000 -0.072 0.000 1.386 184 I HN 0.056 nan 8.210 nan 0.000 0.476 185 R N 5.608 126.110 120.500 0.004 0.000 2.740 185 R HA 0.575 4.915 4.340 -0.000 0.000 0.273 185 R C -0.500 175.816 176.300 0.027 0.000 0.998 185 R CA -1.012 55.096 56.100 0.015 0.000 0.900 185 R CB 2.330 32.640 30.300 0.017 0.000 1.223 185 R HN 0.424 nan 8.270 nan 0.000 0.466 186 M N 0.596 120.214 119.600 0.030 0.000 2.197 186 M HA 0.201 4.681 4.480 -0.000 0.000 0.305 186 M C 1.617 177.937 176.300 0.033 0.000 1.162 186 M CA 0.009 55.331 55.300 0.036 0.000 1.099 186 M CB 0.598 33.221 32.600 0.038 0.000 1.430 186 M HN 0.553 nan 8.290 nan 0.000 0.481 187 S N 0.989 116.709 115.700 0.033 0.000 2.390 187 S HA -0.218 4.252 4.470 -0.000 0.000 0.234 187 S C 1.397 176.012 174.600 0.025 0.000 1.063 187 S CA 2.064 60.282 58.200 0.030 0.000 1.108 187 S CB -0.148 63.068 63.200 0.028 0.000 0.975 187 S HN 0.630 nan 8.310 nan 0.000 0.442 188 E N 0.617 120.832 120.200 0.024 0.000 2.447 188 E HA 0.118 4.468 4.350 -0.000 0.000 0.195 188 E C -0.397 176.216 176.600 0.021 0.000 1.028 188 E CA -0.031 56.382 56.400 0.021 0.000 0.876 188 E CB 0.058 29.770 29.700 0.020 0.000 0.885 188 E HN 0.381 nan 8.360 nan 0.000 0.500 189 D N 0.905 121.319 120.400 0.023 0.000 2.443 189 D HA 0.141 4.781 4.640 -0.000 0.000 0.239 189 D C -0.087 176.223 176.300 0.016 0.000 1.136 189 D CA 0.136 54.148 54.000 0.021 0.000 0.879 189 D CB 0.830 41.644 40.800 0.023 0.000 1.195 189 D HN 0.100 nan 8.370 nan 0.000 0.443 190 A N 1.711 124.538 122.820 0.012 0.000 2.477 190 A HA 0.403 4.723 4.320 -0.000 0.000 0.246 190 A C 1.254 178.841 177.584 0.005 0.000 1.078 190 A CA 0.199 52.240 52.037 0.008 0.000 0.770 190 A CB 0.450 19.453 19.000 0.005 0.000 1.011 190 A HN 0.607 nan 8.150 nan 0.000 0.494 191 A N 2.856 125.679 122.820 0.005 0.000 2.066 191 A HA 0.069 4.389 4.320 -0.000 0.000 0.218 191 A C 1.146 178.728 177.584 -0.004 0.000 1.157 191 A CA 1.448 53.488 52.037 0.004 0.000 0.670 191 A CB -0.967 18.038 19.000 0.009 0.000 0.804 191 A HN 1.157 nan 8.150 nan 0.000 0.453 192 N N -0.741 117.955 118.700 -0.006 0.000 1.222 192 N HA -0.257 4.483 4.740 -0.000 0.000 0.134 192 N C 0.266 175.769 175.510 -0.011 0.000 0.787 192 N CA 1.779 54.822 53.050 -0.012 0.000 0.929 192 N CB -0.900 37.574 38.487 -0.022 0.000 1.170 192 N HN 0.610 nan 8.380 nan 0.000 0.541 193 D N 0.573 120.964 120.400 -0.016 0.000 2.339 193 D HA -0.023 4.616 4.640 -0.000 0.000 0.217 193 D C -0.290 176.005 176.300 -0.008 0.000 1.050 193 D CA 0.626 54.618 54.000 -0.012 0.000 0.856 193 D CB -0.119 40.671 40.800 -0.017 0.000 0.922 193 D HN 0.340 nan 8.370 nan 0.000 0.518 194 Q N 0.666 120.461 119.800 -0.009 0.000 2.314 194 Q HA 0.200 4.540 4.340 -0.000 0.000 0.258 194 Q C 0.925 176.931 176.000 0.010 0.000 0.954 194 Q CA -0.210 55.592 55.803 -0.002 0.000 0.890 194 Q CB 2.767 31.501 28.738 -0.006 0.000 1.210 194 Q HN 0.003 nan 8.270 nan 0.000 0.410 195 V N 2.178 122.103 119.914 0.018 0.000 2.743 195 V HA 0.017 4.137 4.120 -0.000 0.000 0.237 195 V C 0.665 176.790 176.094 0.051 0.000 1.113 195 V CA 0.788 63.104 62.300 0.026 0.000 1.141 195 V CB 0.176 32.011 31.823 0.020 0.000 0.873 195 V HN 0.627 nan 8.190 nan 0.000 0.486 196 R N 1.158 121.702 120.500 0.074 0.000 3.235 196 R HA 0.390 4.730 4.340 -0.000 0.000 0.232 196 R C -0.812 175.586 176.300 0.164 0.000 1.475 196 R CA -0.125 56.074 56.100 0.166 0.000 1.405 196 R CB 0.374 30.781 30.300 0.180 0.000 1.266 196 R HN 0.216 nan 8.270 nan 0.000 0.650 197 V N 1.289 121.306 119.914 0.171 0.000 2.785 197 V HA 0.651 4.771 4.120 -0.000 0.000 0.300 197 V C 0.510 176.735 176.094 0.219 0.000 1.062 197 V CA -0.399 61.979 62.300 0.130 0.000 1.029 197 V CB 1.480 33.348 31.823 0.076 0.000 1.024 197 V HN 0.764 nan 8.190 nan 0.000 0.477 198 A N 2.280 125.155 122.820 0.093 0.000 2.610 198 A HA 0.807 5.127 4.320 -0.000 0.000 0.291 198 A C -0.289 177.326 177.584 0.051 0.000 1.086 198 A CA -0.240 51.850 52.037 0.089 0.000 0.677 198 A CB 1.699 20.697 19.000 -0.002 0.000 1.278 198 A HN 0.893 nan 8.150 nan 0.000 0.414 199 T N -1.101 113.494 114.554 0.067 0.000 2.902 199 T HA 0.572 4.922 4.350 -0.000 0.000 0.280 199 T C -2.155 172.591 174.700 0.077 0.000 0.992 199 T CA -1.581 60.556 62.100 0.061 0.000 1.015 199 T CB 1.095 70.003 68.868 0.065 0.000 1.044 199 T HN 0.198 nan 8.240 nan 0.000 0.520 200 P HA -0.010 nan 4.420 nan 0.000 0.219 200 P C 1.528 178.971 177.300 0.237 0.000 1.146 200 P CA 1.186 64.381 63.100 0.157 0.000 0.808 200 P CB -0.221 31.568 31.700 0.148 0.000 0.779 201 A N -0.862 122.047 122.820 0.148 0.000 1.873 201 A HA -0.155 4.165 4.320 -0.000 0.000 0.215 201 A C 2.023 179.671 177.584 0.107 0.000 1.186 201 A CA 1.427 53.531 52.037 0.112 0.000 0.616 201 A CB -1.510 17.532 19.000 0.071 0.000 0.823 201 A HN 0.073 nan 8.150 nan 0.000 0.442 202 I N 0.097 120.730 120.570 0.105 0.000 2.394 202 I HA -0.163 4.007 4.170 -0.000 0.000 0.251 202 I C 2.743 178.930 176.117 0.116 0.000 1.136 202 I CA 1.097 62.458 61.300 0.102 0.000 1.425 202 I CB -0.325 37.741 38.000 0.110 0.000 1.079 202 I HN 0.312 nan 8.210 nan 0.000 0.425 203 A N 0.057 122.967 122.820 0.150 0.000 1.930 203 A HA -0.209 4.111 4.320 -0.000 0.000 0.217 203 A C 2.509 180.280 177.584 0.312 0.000 1.175 203 A CA 1.555 53.713 52.037 0.202 0.000 0.627 203 A CB -0.552 18.570 19.000 0.203 0.000 0.815 203 A HN 0.372 nan 8.150 nan 0.000 0.443 204 R N -0.111 120.553 120.500 0.273 0.000 2.066 204 R HA -0.119 4.220 4.340 -0.000 0.000 0.232 204 R C 1.921 178.225 176.300 0.006 0.000 1.131 204 R CA 1.674 57.794 56.100 0.034 0.000 0.955 204 R CB -0.271 29.969 30.300 -0.099 0.000 0.851 204 R HN 0.648 nan 8.270 nan 0.000 0.432 205 E N 0.252 120.475 120.200 0.039 0.000 2.106 205 E HA -0.143 4.206 4.350 -0.000 0.000 0.192 205 E C 1.555 178.185 176.600 0.051 0.000 0.984 205 E CA 1.097 57.514 56.400 0.029 0.000 0.806 205 E CB 0.147 29.870 29.700 0.038 0.000 0.750 205 E HN 0.291 nan 8.360 nan 0.000 0.458 206 K N -0.464 119.987 120.400 0.085 0.000 2.487 206 K HA 0.062 4.382 4.320 -0.000 0.000 0.192 206 K C 0.674 177.355 176.600 0.135 0.000 1.027 206 K CA 0.493 56.843 56.287 0.104 0.000 1.054 206 K CB 0.714 33.278 32.500 0.107 0.000 0.824 206 K HN 0.231 nan 8.250 nan 0.000 0.510 207 G N 1.944 110.815 108.800 0.118 0.000 2.142 207 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.225 207 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.225 207 G C -0.009 175.041 174.900 0.250 0.000 1.015 207 G CA 0.283 45.459 45.100 0.126 0.000 0.716 207 G HN 0.292 nan 8.290 nan 0.000 0.508 208 S N -0.494 115.368 115.700 0.271 0.000 2.549 208 S HA 0.559 5.029 4.470 -0.000 0.000 0.279 208 S C 1.766 176.601 174.600 0.392 0.000 1.321 208 S CA 0.712 59.098 58.200 0.309 0.000 1.054 208 S CB 1.017 64.374 63.200 0.262 0.000 0.899 208 S HN 0.541 nan 8.310 nan 0.000 0.497 209 S N 3.196 119.071 115.700 0.292 0.000 2.395 209 S HA 0.341 4.810 4.470 -0.000 0.000 0.225 209 S C 0.541 175.326 174.600 0.308 0.000 1.027 209 S CA 0.644 59.001 58.200 0.261 0.000 0.965 209 S CB -0.100 63.193 63.200 0.154 0.000 0.812 209 S HN 1.007 nan 8.310 nan 0.000 0.482 210 A N 0.775 123.655 122.820 0.101 0.000 2.604 210 A HA 0.701 5.021 4.320 -0.000 0.000 0.295 210 A C -1.218 176.107 177.584 -0.431 0.000 1.067 210 A CA -0.934 50.998 52.037 -0.175 0.000 0.683 210 A CB 0.872 19.758 19.000 -0.189 0.000 1.281 210 A HN 0.352 nan 8.150 nan 0.000 0.407 211 I N -0.715 119.405 120.570 -0.750 0.000 2.474 211 I HA 0.801 4.971 4.170 -0.000 0.000 0.294 211 I C -0.983 174.893 176.117 -0.402 0.000 1.005 211 I CA -1.102 59.843 61.300 -0.592 0.000 1.113 211 I CB 1.935 39.481 38.000 -0.757 0.000 1.289 211 I HN 0.193 nan 8.210 nan 0.000 0.436 212 V N 6.638 126.402 119.914 -0.251 0.000 2.350 212 V HA 0.398 4.518 4.120 -0.000 0.000 0.276 212 V C 0.058 176.067 176.094 -0.140 0.000 1.028 212 V CA -0.452 61.745 62.300 -0.171 0.000 0.860 212 V CB 1.475 33.237 31.823 -0.101 0.000 0.990 212 V HN 0.593 nan 8.190 nan 0.000 0.453 213 V N 4.534 124.383 119.914 -0.108 0.000 2.495 213 V HA 0.777 4.897 4.120 -0.000 0.000 0.298 213 V C 0.695 176.759 176.094 -0.049 0.000 1.031 213 V CA 0.241 62.505 62.300 -0.061 0.000 0.871 213 V CB 1.232 33.047 31.823 -0.013 0.000 0.988 213 V HN 0.851 nan 8.190 nan 0.000 0.432 214 G N 3.026 111.785 108.800 -0.069 0.000 2.487 214 G HA2 0.127 4.087 3.960 -0.000 0.000 0.212 214 G HA3 0.127 4.087 3.960 -0.000 0.000 0.212 214 G C 1.030 175.879 174.900 -0.084 0.000 1.988 214 G CA -0.258 44.775 45.100 -0.112 0.000 0.724 214 G HN 0.527 nan 8.290 nan 0.000 0.755 215 R N 0.697 121.144 120.500 -0.089 0.000 2.159 215 R HA -0.023 4.317 4.340 -0.000 0.000 0.237 215 R C 2.727 179.031 176.300 0.007 0.000 1.131 215 R CA 1.373 57.440 56.100 -0.056 0.000 0.982 215 R CB -0.225 30.038 30.300 -0.062 0.000 0.868 215 R HN 0.282 nan 8.270 nan 0.000 0.453 216 S N 0.218 115.931 115.700 0.022 0.000 2.442 216 S HA -0.024 4.446 4.470 -0.000 0.000 0.236 216 S C 1.695 176.358 174.600 0.105 0.000 1.007 216 S CA 0.871 59.103 58.200 0.054 0.000 0.965 216 S CB 0.028 63.255 63.200 0.045 0.000 0.773 216 S HN 0.254 nan 8.310 nan 0.000 0.504 217 I N 0.489 121.143 120.570 0.140 0.000 2.900 217 I HA -0.054 4.116 4.170 -0.000 0.000 0.251 217 I C 2.676 178.977 176.117 0.306 0.000 1.102 217 I CA 1.182 62.639 61.300 0.261 0.000 1.457 217 I CB -0.648 37.567 38.000 0.358 0.000 1.285 217 I HN 0.288 nan 8.210 nan 0.000 0.459 218 T N -1.380 113.288 114.554 0.190 0.000 2.915 218 T HA -0.069 4.281 4.350 -0.000 0.000 0.269 218 T C 1.572 176.361 174.700 0.149 0.000 1.071 218 T CA 0.955 63.139 62.100 0.140 0.000 1.132 218 T CB -0.086 68.650 68.868 -0.219 0.000 0.878 218 T HN 0.020 nan 8.240 nan 0.000 0.479 219 K N 1.220 121.675 120.400 0.092 0.000 2.397 219 K HA 0.551 4.871 4.320 -0.000 0.000 0.202 219 K C 0.699 177.354 176.600 0.092 0.000 1.022 219 K CA -0.047 56.287 56.287 0.077 0.000 1.141 219 K CB 0.545 33.062 32.500 0.028 0.000 0.857 219 K HN 0.551 nan 8.250 nan 0.000 0.514 220 A N 0.858 123.752 122.820 0.124 0.000 2.257 220 A HA 0.210 4.530 4.320 -0.000 0.000 0.289 220 A C 1.020 178.667 177.584 0.105 0.000 1.095 220 A CA -0.275 51.827 52.037 0.108 0.000 0.836 220 A CB 0.574 19.647 19.000 0.122 0.000 1.111 220 A HN 0.191 nan 8.150 nan 0.000 0.497 221 E N -0.038 120.207 120.200 0.076 0.000 2.031 221 E HA -0.122 4.228 4.350 -0.000 0.000 0.193 221 E C -0.137 176.498 176.600 0.059 0.000 0.994 221 E CA 1.336 57.772 56.400 0.060 0.000 0.800 221 E CB 0.170 29.895 29.700 0.041 0.000 0.752 221 E HN 0.634 nan 8.360 nan 0.000 0.447 222 D N -0.740 119.691 120.400 0.053 0.000 2.440 222 D HA 0.123 4.763 4.640 -0.000 0.000 0.252 222 D C -2.159 174.169 176.300 0.047 0.000 1.180 222 D CA -2.186 51.829 54.000 0.025 0.000 0.894 222 D CB 1.458 42.255 40.800 -0.005 0.000 1.111 222 D HN -0.227 nan 8.370 nan 0.000 0.544 223 P HA -0.122 nan 4.420 nan 0.000 0.216 223 P C 1.618 178.955 177.300 0.062 0.000 1.150 223 P CA 0.529 63.743 63.100 0.189 0.000 0.837 223 P CB 0.563 32.462 31.700 0.331 0.000 0.786 224 V N 0.154 119.897 119.914 -0.285 0.000 2.427 224 V HA -0.219 3.901 4.120 -0.000 0.000 0.248 224 V C 2.430 178.467 176.094 -0.094 0.000 1.051 224 V CA 1.703 63.706 62.300 -0.494 0.000 1.048 224 V CB -0.975 30.458 31.823 -0.650 0.000 0.666 224 V HN 0.145 nan 8.190 nan 0.000 0.456 225 K N 0.223 120.595 120.400 -0.047 0.000 2.103 225 K HA -0.058 4.262 4.320 -0.000 0.000 0.204 225 K C 2.217 178.853 176.600 0.059 0.000 1.052 225 K CA 1.201 57.492 56.287 0.006 0.000 0.945 225 K CB -0.233 32.266 32.500 -0.002 0.000 0.722 225 K HN 0.421 nan 8.250 nan 0.000 0.443 226 A N 0.355 123.235 122.820 0.100 0.000 1.898 226 A HA -0.194 4.126 4.320 -0.000 0.000 0.216 226 A C 2.016 179.711 177.584 0.185 0.000 1.181 226 A CA 1.294 53.413 52.037 0.137 0.000 0.620 226 A CB -0.806 18.295 19.000 0.168 0.000 0.819 226 A HN 0.558 nan 8.150 nan 0.000 0.442 227 Y N 0.502 120.887 120.300 0.143 0.000 2.200 227 Y HA -0.146 4.404 4.550 -0.000 0.000 0.290 227 Y C 2.281 178.266 175.900 0.141 0.000 1.137 227 Y CA 2.170 60.386 58.100 0.193 0.000 1.163 227 Y CB -0.254 38.422 38.460 0.360 0.000 0.988 227 Y HN 0.285 nan 8.280 nan 0.000 0.518 228 K N -0.046 120.365 120.400 0.017 0.000 2.057 228 K HA -0.148 4.172 4.320 -0.000 0.000 0.207 228 K C 2.238 178.798 176.600 -0.067 0.000 1.049 228 K CA 1.148 57.393 56.287 -0.070 0.000 0.931 228 K CB -0.358 32.150 32.500 0.013 0.000 0.714 228 K HN 0.393 nan 8.250 nan 0.000 0.440 229 A N 0.397 123.209 122.820 -0.013 0.000 1.930 229 A HA -0.085 4.235 4.320 -0.000 0.000 0.217 229 A C 2.163 179.749 177.584 0.003 0.000 1.175 229 A CA 1.336 53.376 52.037 0.004 0.000 0.627 229 A CB -0.399 18.617 19.000 0.027 0.000 0.815 229 A HN 0.163 nan 8.150 nan 0.000 0.443 230 V N -0.267 119.640 119.914 -0.012 0.000 2.453 230 V HA -0.182 3.938 4.120 -0.000 0.000 0.247 230 V C 2.605 178.691 176.094 -0.014 0.000 1.048 230 V CA 2.061 64.360 62.300 -0.002 0.000 1.049 230 V CB -0.723 31.108 31.823 0.013 0.000 0.672 230 V HN 0.619 nan 8.190 nan 0.000 0.457 231 R N -0.177 120.230 120.500 -0.156 0.000 2.066 231 R HA -0.086 4.254 4.340 -0.000 0.000 0.232 231 R C 2.252 178.571 176.300 0.032 0.000 1.131 231 R CA 1.500 57.530 56.100 -0.118 0.000 0.955 231 R CB -0.229 29.841 30.300 -0.384 0.000 0.851 231 R HN 0.424 nan 8.270 nan 0.000 0.432 232 L N 0.132 121.350 121.223 -0.007 0.000 2.217 232 L HA -0.080 4.260 4.340 -0.000 0.000 0.211 232 L C 2.361 179.249 176.870 0.029 0.000 1.107 232 L CA 1.064 55.909 54.840 0.009 0.000 0.783 232 L CB -0.264 41.793 42.059 -0.003 0.000 0.919 232 L HN 0.330 nan 8.230 nan 0.000 0.442 233 E N -0.415 119.822 120.200 0.060 0.000 2.230 233 E HA -0.204 4.146 4.350 -0.000 0.000 0.192 233 E C 1.968 178.647 176.600 0.131 0.000 0.987 233 E CA 0.518 56.964 56.400 0.076 0.000 0.841 233 E CB -0.003 29.744 29.700 0.080 0.000 0.783 233 E HN 0.584 nan 8.360 nan 0.000 0.481 234 W N 1.455 122.737 121.300 -0.031 0.000 2.443 234 W HA -0.081 4.579 4.660 -0.000 0.000 0.296 234 W C 1.248 177.758 176.519 -0.016 0.000 1.202 234 W CA 0.879 58.211 57.345 -0.022 0.000 1.312 234 W CB 0.167 29.611 29.460 -0.027 0.000 1.120 234 W HN 0.015 nan 8.180 nan 0.000 0.536 235 E N 0.185 120.295 120.200 -0.150 0.000 2.028 235 E HA 0.159 4.509 4.350 -0.000 0.000 0.190 235 E C 1.006 177.489 176.600 -0.194 0.000 0.984 235 E CA 1.176 57.425 56.400 -0.252 0.000 0.800 235 E CB -0.226 29.419 29.700 -0.093 0.000 0.758 235 E HN 0.233 nan 8.360 nan 0.000 0.448 236 G N 0.000 108.740 108.800 -0.099 0.000 5.446 236 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 236 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 236 G CA 0.000 45.055 45.100 -0.075 0.000 0.502 236 G HN 0.000 nan 8.290 nan 0.000 0.925