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 1og6_1_B DATA FIRST_RESID 1 DATA SEQUENCE LVQRITIAPQ GPEFSRFVMG YWRLMDWNMS ARQLVSFIEE HLDLGVTTVD DATA SEQUENCE HADIYGGYQC EAAFGEALKL APHLRERMEI VSKCGIATTA REENVIGHYI DATA SEQUENCE TDRDHIIKSA EQSLINLATD HLDLLLIHRP DPLMDADEVA DAFKHLHQSG DATA SEQUENCE KVRHFGVSNF TPAQFALLQS RLPFTLATNQ VEISPVHQPL LLDGTLDQLQ DATA SEQUENCE QLRVRPMAWS CXXXXRLFND DYFQPLRDEL AVVAEELNAG SIEQVVNAWV DATA SEQUENCE LRLPSQPLPI IGSGKIERVR AAVEAETLKM TRQQWFRIRK AALGYDVP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 L HA 0.000 nan 4.340 nan 0.000 0.249 1 L C 0.000 176.894 176.870 0.039 0.000 1.165 1 L CA 0.000 54.854 54.840 0.024 0.000 0.813 1 L CB 0.000 42.076 42.059 0.028 0.000 0.961 2 V N -0.200 119.745 119.914 0.052 0.000 3.032 2 V HA 0.076 4.195 4.120 -0.001 0.000 0.307 2 V C 0.469 176.621 176.094 0.097 0.000 1.097 2 V CA -0.082 62.275 62.300 0.095 0.000 1.191 2 V CB 0.769 32.678 31.823 0.143 0.000 0.964 2 V HN 0.978 nan 8.190 nan 0.000 0.494 3 Q N 2.433 122.298 119.800 0.109 0.000 2.479 3 Q HA 0.133 4.472 4.340 -0.001 0.000 0.267 3 Q C -0.142 175.904 176.000 0.077 0.000 1.071 3 Q CA -0.143 55.708 55.803 0.079 0.000 0.935 3 Q CB 0.451 29.230 28.738 0.068 0.000 1.295 3 Q HN 0.814 nan 8.270 nan 0.000 0.476 4 R N 1.952 122.486 120.500 0.056 0.000 2.674 4 R HA 0.671 5.011 4.340 -0.001 0.000 0.266 4 R C -0.593 175.729 176.300 0.036 0.000 1.016 4 R CA -0.778 55.355 56.100 0.056 0.000 1.062 4 R CB 1.167 31.493 30.300 0.044 0.000 1.142 4 R HN 0.819 nan 8.270 nan 0.000 0.517 5 I N -0.102 120.486 120.570 0.031 0.000 2.750 5 I HA 0.051 4.220 4.170 -0.001 0.000 0.284 5 I C -1.159 174.926 176.117 -0.054 0.000 1.498 5 I CA -0.115 61.180 61.300 -0.008 0.000 1.078 5 I CB 2.188 40.185 38.000 -0.005 0.000 1.423 5 I HN 0.429 nan 8.210 nan 0.000 0.423 6 T N 7.990 122.494 114.554 -0.084 0.000 2.782 6 T HA 0.262 4.612 4.350 -0.001 0.000 0.298 6 T C 1.727 176.324 174.700 -0.171 0.000 0.944 6 T CA -0.320 61.690 62.100 -0.150 0.000 1.001 6 T CB 0.051 68.850 68.868 -0.115 0.000 0.932 6 T HN 0.573 nan 8.240 nan 0.000 0.524 7 I N 0.521 120.935 120.570 -0.259 0.000 2.800 7 I HA 0.190 4.359 4.170 -0.001 0.000 0.266 7 I C 0.815 176.839 176.117 -0.156 0.000 1.249 7 I CA 0.349 61.522 61.300 -0.211 0.000 1.458 7 I CB -0.308 37.516 38.000 -0.293 0.000 1.093 7 I HN 0.533 nan 8.210 nan 0.000 0.466 8 A N 0.089 122.809 122.820 -0.166 0.000 2.544 8 A HA 0.645 4.964 4.320 -0.001 0.000 0.291 8 A C -2.965 174.570 177.584 -0.081 0.000 1.055 8 A CA -1.076 50.904 52.037 -0.095 0.000 0.651 8 A CB 0.181 19.142 19.000 -0.066 0.000 1.296 8 A HN -0.069 nan 8.150 nan 0.000 0.431 9 P HA 0.344 nan 4.420 nan 0.000 0.265 9 P C -0.307 176.992 177.300 -0.002 0.000 1.222 9 P CA 0.983 64.078 63.100 -0.007 0.000 0.767 9 P CB 0.419 32.133 31.700 0.024 0.000 0.801 10 Q N -0.139 119.651 119.800 -0.016 0.000 2.342 10 Q HA -0.178 4.161 4.340 -0.001 0.000 0.196 10 Q C 0.941 176.895 176.000 -0.076 0.000 0.629 10 Q CA 1.179 56.985 55.803 0.005 0.000 1.365 10 Q CB -2.292 26.490 28.738 0.074 0.000 1.406 10 Q HN 0.659 nan 8.270 nan 0.000 0.840 11 G N 1.231 109.917 108.800 -0.190 0.000 2.621 11 G HA2 0.477 4.436 3.960 -0.001 0.000 0.271 11 G HA3 0.477 4.436 3.960 -0.001 0.000 0.271 11 G C -2.027 172.508 174.900 -0.608 0.000 1.236 11 G CA -0.559 44.255 45.100 -0.478 0.000 0.958 11 G HN 0.048 nan 8.290 nan 0.000 0.512 12 P HA 0.182 nan 4.420 nan 0.000 0.275 12 P C -0.798 176.211 177.300 -0.486 0.000 1.266 12 P CA -0.296 62.434 63.100 -0.616 0.000 0.793 12 P CB 1.330 32.643 31.700 -0.644 0.000 1.074 13 E N 0.477 120.525 120.200 -0.254 0.000 2.141 13 E HA 0.344 4.693 4.350 -0.001 0.000 0.259 13 E C -1.008 175.647 176.600 0.092 0.000 0.883 13 E CA -0.516 55.811 56.400 -0.122 0.000 0.744 13 E CB 0.308 29.994 29.700 -0.024 0.000 1.150 13 E HN 0.160 nan 8.360 nan 0.000 0.420 14 F N 0.749 120.687 119.950 -0.019 0.000 2.452 14 F HA 0.337 4.864 4.527 -0.001 0.000 0.353 14 F C 0.918 176.725 175.800 0.013 0.000 1.089 14 F CA -1.437 56.563 58.000 -0.000 0.000 1.080 14 F CB 0.972 39.966 39.000 -0.009 0.000 1.399 14 F HN 0.302 nan 8.300 nan 0.000 0.492 15 S N 0.359 116.205 115.700 0.243 0.000 2.499 15 S HA 0.355 4.824 4.470 -0.001 0.000 0.279 15 S C 0.982 175.668 174.600 0.142 0.000 1.219 15 S CA -0.714 57.579 58.200 0.154 0.000 1.062 15 S CB 1.676 64.949 63.200 0.122 0.000 0.978 15 S HN 0.589 nan 8.310 nan 0.000 0.489 16 R N 1.856 122.424 120.500 0.114 0.000 2.196 16 R HA -0.121 4.218 4.340 -0.001 0.000 0.259 16 R C -0.518 175.743 176.300 -0.065 0.000 1.154 16 R CA 1.710 57.827 56.100 0.029 0.000 0.976 16 R CB -0.827 29.506 30.300 0.054 0.000 0.888 16 R HN 0.709 nan 8.270 nan 0.000 0.453 17 F N -1.176 118.791 119.950 0.029 0.000 2.450 17 F HA 0.453 4.980 4.527 -0.001 0.000 0.332 17 F C -0.115 175.673 175.800 -0.020 0.000 1.093 17 F CA -0.910 57.095 58.000 0.009 0.000 1.003 17 F CB 1.863 40.860 39.000 -0.005 0.000 1.151 17 F HN -0.333 nan 8.300 nan 0.000 0.474 18 V N 4.084 124.091 119.914 0.156 0.000 2.815 18 V HA 0.437 4.556 4.120 -0.001 0.000 0.314 18 V C -0.286 175.811 176.094 0.003 0.000 1.064 18 V CA -0.971 61.348 62.300 0.030 0.000 0.952 18 V CB 2.063 33.883 31.823 -0.006 0.000 1.020 18 V HN 0.578 nan 8.190 nan 0.000 0.439 19 M N 2.767 122.317 119.600 -0.084 0.000 2.180 19 M HA 0.510 4.990 4.480 -0.001 0.000 0.350 19 M C 0.185 176.433 176.300 -0.086 0.000 1.125 19 M CA -0.278 54.940 55.300 -0.137 0.000 1.031 19 M CB 0.903 33.309 32.600 -0.324 0.000 1.623 19 M HN 0.846 nan 8.290 nan 0.000 0.451 20 G N 3.572 112.320 108.800 -0.085 0.000 2.335 20 G HA2 0.438 4.398 3.960 -0.001 0.000 0.316 20 G HA3 0.438 4.398 3.960 -0.001 0.000 0.316 20 G C -0.751 174.038 174.900 -0.186 0.000 1.129 20 G CA -0.179 44.888 45.100 -0.055 0.000 0.899 20 G HN 0.762 nan 8.290 nan 0.000 0.448 21 Y N 1.346 121.544 120.300 -0.170 0.000 2.625 21 Y HA 0.144 4.693 4.550 -0.001 0.000 0.285 21 Y C 1.478 177.203 175.900 -0.291 0.000 1.168 21 Y CA -1.135 56.785 58.100 -0.301 0.000 1.250 21 Y CB 0.368 38.589 38.460 -0.398 0.000 1.130 21 Y HN 0.837 nan 8.280 nan 0.000 0.526 22 W N 1.455 122.478 121.300 -0.463 0.000 2.374 22 W HA -0.102 4.558 4.660 -0.001 0.000 0.288 22 W C 1.065 177.273 176.519 -0.518 0.000 1.218 22 W CA 1.512 58.381 57.345 -0.793 0.000 1.245 22 W CB -0.045 28.704 29.460 -1.185 0.000 1.126 22 W HN -0.083 nan 8.180 nan 0.000 0.545 23 R N 0.555 120.671 120.500 -0.641 0.000 2.388 23 R HA 0.061 4.400 4.340 -0.001 0.000 0.247 23 R C 1.799 177.449 176.300 -1.083 0.000 0.931 23 R CA 0.126 55.753 56.100 -0.788 0.000 1.082 23 R CB -0.474 29.528 30.300 -0.496 0.000 1.135 23 R HN 0.154 nan 8.270 nan 0.000 0.525 24 L N 0.886 121.360 121.223 -1.248 0.000 2.051 24 L HA -0.230 4.109 4.340 -0.001 0.000 0.214 24 L C 1.778 178.220 176.870 -0.714 0.000 1.076 24 L CA 1.916 55.900 54.840 -1.426 0.000 0.758 24 L CB -0.236 41.464 42.059 -0.599 0.000 0.890 24 L HN 0.178 nan 8.230 nan 0.000 0.433 25 M N -0.976 118.367 119.600 -0.428 0.000 2.539 25 M HA -0.128 4.352 4.480 -0.001 0.000 0.261 25 M C 1.103 177.294 176.300 -0.182 0.000 1.069 25 M CA 1.083 56.252 55.300 -0.219 0.000 1.081 25 M CB -1.232 31.276 32.600 -0.152 0.000 1.412 25 M HN 0.323 nan 8.290 nan 0.000 0.482 26 D N -1.650 118.595 120.400 -0.259 0.000 2.360 26 D HA -0.044 4.595 4.640 -0.001 0.000 0.210 26 D C 1.422 177.776 176.300 0.089 0.000 1.047 26 D CA 0.272 54.211 54.000 -0.101 0.000 0.854 26 D CB -0.048 40.673 40.800 -0.131 0.000 0.936 26 D HN 0.294 nan 8.370 nan 0.000 0.514 27 W N 1.316 122.543 121.300 -0.122 0.000 2.800 27 W HA 0.162 4.821 4.660 -0.002 0.000 0.249 27 W C 0.093 176.553 176.519 -0.098 0.000 1.294 27 W CA -0.133 57.130 57.345 -0.137 0.000 1.402 27 W CB -1.381 27.957 29.460 -0.203 0.000 1.126 27 W HN 0.035 nan 8.180 nan 0.000 0.652 28 N N -0.342 118.433 118.700 0.125 0.000 2.696 28 N HA -0.227 4.512 4.740 -0.001 0.000 0.256 28 N C -0.058 175.498 175.510 0.077 0.000 1.031 28 N CA 0.153 53.244 53.050 0.068 0.000 0.730 28 N CB -1.315 37.200 38.487 0.046 0.000 0.894 28 N HN 0.122 nan 8.380 nan 0.000 0.544 29 M N 0.289 119.947 119.600 0.098 0.000 2.753 29 M HA 0.458 4.937 4.480 -0.001 0.000 0.299 29 M C 0.115 176.459 176.300 0.073 0.000 1.219 29 M CA -0.432 54.925 55.300 0.094 0.000 0.900 29 M CB 1.711 34.398 32.600 0.145 0.000 1.628 29 M HN 0.220 nan 8.290 nan 0.000 0.502 30 S N -0.211 115.530 115.700 0.069 0.000 2.548 30 S HA 0.656 5.125 4.470 -0.001 0.000 0.286 30 S C 0.354 174.989 174.600 0.059 0.000 1.098 30 S CA -0.458 57.773 58.200 0.053 0.000 0.930 30 S CB 1.529 64.752 63.200 0.039 0.000 1.070 30 S HN 0.812 nan 8.310 nan 0.000 0.480 31 A N 1.916 124.763 122.820 0.044 0.000 1.971 31 A HA -0.243 4.077 4.320 -0.001 0.000 0.222 31 A C 2.181 179.787 177.584 0.036 0.000 1.182 31 A CA 2.353 54.410 52.037 0.033 0.000 0.649 31 A CB -0.917 18.089 19.000 0.010 0.000 0.818 31 A HN 0.875 nan 8.150 nan 0.000 0.458 32 R N -0.363 120.158 120.500 0.035 0.000 2.083 32 R HA -0.158 4.181 4.340 -0.001 0.000 0.237 32 R C 2.323 178.654 176.300 0.052 0.000 1.137 32 R CA 2.337 58.458 56.100 0.035 0.000 0.951 32 R CB -0.508 29.810 30.300 0.029 0.000 0.851 32 R HN 0.746 nan 8.270 nan 0.000 0.434 33 Q N -0.706 119.133 119.800 0.064 0.000 2.033 33 Q HA -0.065 4.275 4.340 -0.001 0.000 0.196 33 Q C 1.940 178.022 176.000 0.136 0.000 0.970 33 Q CA 1.233 57.087 55.803 0.085 0.000 0.828 33 Q CB -0.270 28.512 28.738 0.073 0.000 0.895 33 Q HN 0.236 nan 8.270 nan 0.000 0.440 34 L N 0.587 121.901 121.223 0.151 0.000 2.263 34 L HA -0.145 4.194 4.340 -0.001 0.000 0.216 34 L C 1.790 178.796 176.870 0.225 0.000 1.111 34 L CA 1.344 56.330 54.840 0.242 0.000 0.773 34 L CB -0.170 42.028 42.059 0.231 0.000 0.906 34 L HN 0.008 nan 8.230 nan 0.000 0.439 35 V N -1.513 118.468 119.914 0.111 0.000 2.871 35 V HA -0.097 4.022 4.120 -0.001 0.000 0.256 35 V C 2.290 178.416 176.094 0.055 0.000 1.082 35 V CA 1.481 63.808 62.300 0.044 0.000 1.105 35 V CB -0.254 31.575 31.823 0.010 0.000 0.713 35 V HN 0.490 nan 8.190 nan 0.000 0.473 36 S N -0.413 115.346 115.700 0.097 0.000 2.470 36 S HA 0.028 4.497 4.470 -0.001 0.000 0.225 36 S C 1.606 176.266 174.600 0.101 0.000 1.006 36 S CA 0.660 58.905 58.200 0.075 0.000 0.934 36 S CB -0.198 63.047 63.200 0.076 0.000 0.778 36 S HN 0.595 nan 8.310 nan 0.000 0.517 37 F N 2.487 122.452 119.950 0.024 0.000 2.118 37 F HA 0.110 4.636 4.527 -0.001 0.000 0.293 37 F C 1.766 177.556 175.800 -0.017 0.000 1.102 37 F CA 0.975 59.002 58.000 0.045 0.000 1.247 37 F CB -0.388 38.694 39.000 0.138 0.000 1.017 37 F HN 0.051 nan 8.300 nan 0.000 0.475 38 I N 0.394 121.027 120.570 0.106 0.000 2.194 38 I HA -0.319 3.851 4.170 -0.001 0.000 0.246 38 I C 2.362 178.193 176.117 -0.476 0.000 1.093 38 I CA 1.816 62.972 61.300 -0.240 0.000 1.355 38 I CB -0.564 37.433 38.000 -0.006 0.000 1.046 38 I HN 0.250 nan 8.210 nan 0.000 0.413 39 E N 0.470 120.529 120.200 -0.236 0.000 2.110 39 E HA -0.240 4.109 4.350 -0.001 0.000 0.193 39 E C 2.090 178.568 176.600 -0.202 0.000 0.988 39 E CA 1.257 57.541 56.400 -0.192 0.000 0.804 39 E CB 0.095 29.740 29.700 -0.092 0.000 0.745 39 E HN 0.487 nan 8.360 nan 0.000 0.458 40 E N -0.770 119.297 120.200 -0.221 0.000 2.046 40 E HA -0.196 4.153 4.350 -0.001 0.000 0.190 40 E C 2.001 178.488 176.600 -0.190 0.000 0.982 40 E CA 1.324 57.614 56.400 -0.184 0.000 0.800 40 E CB -0.114 29.487 29.700 -0.165 0.000 0.756 40 E HN 0.467 nan 8.360 nan 0.000 0.449 41 H N 0.569 119.458 119.070 -0.301 0.000 2.389 41 H HA -0.088 4.468 4.556 -0.001 0.000 0.299 41 H C 1.895 177.147 175.328 -0.128 0.000 1.081 41 H CA 1.428 57.317 56.048 -0.265 0.000 1.345 41 H CB -0.585 28.945 29.762 -0.388 0.000 1.393 41 H HN 0.171 nan 8.280 nan 0.000 0.520 42 L N -1.467 119.760 121.223 0.008 0.000 2.478 42 L HA 0.175 4.514 4.340 -0.001 0.000 0.223 42 L C 1.169 178.046 176.870 0.013 0.000 1.140 42 L CA 1.261 56.161 54.840 0.100 0.000 0.842 42 L CB -0.509 41.564 42.059 0.023 0.000 0.953 42 L HN 0.037 nan 8.230 nan 0.000 0.452 43 D N -0.250 120.126 120.400 -0.040 0.000 2.323 43 D HA 0.012 4.651 4.640 -0.001 0.000 0.209 43 D C 1.843 178.132 176.300 -0.018 0.000 0.973 43 D CA 0.617 54.599 54.000 -0.031 0.000 0.874 43 D CB 0.276 41.047 40.800 -0.050 0.000 0.930 43 D HN 0.260 nan 8.370 nan 0.000 0.521 44 L N -0.989 120.225 121.223 -0.015 0.000 2.509 44 L HA 0.252 4.591 4.340 -0.001 0.000 0.222 44 L C 1.781 178.650 176.870 -0.001 0.000 1.123 44 L CA 0.944 55.771 54.840 -0.022 0.000 0.856 44 L CB 0.139 42.171 42.059 -0.045 0.000 0.985 44 L HN 0.205 nan 8.230 nan 0.000 0.456 45 G N -1.692 107.126 108.800 0.030 0.000 2.278 45 G HA2 -0.222 3.737 3.960 -0.001 0.000 0.210 45 G HA3 -0.222 3.737 3.960 -0.001 0.000 0.210 45 G C 0.365 175.310 174.900 0.075 0.000 1.000 45 G CA -0.016 45.112 45.100 0.048 0.000 0.635 45 G HN 0.008 nan 8.290 nan 0.000 0.495 46 V N 3.506 123.466 119.914 0.078 0.000 2.382 46 V HA 0.339 4.458 4.120 -0.001 0.000 0.250 46 V C 1.777 177.954 176.094 0.138 0.000 1.069 46 V CA 1.589 63.929 62.300 0.065 0.000 1.130 46 V CB 0.112 31.889 31.823 -0.076 0.000 1.165 46 V HN 0.737 nan 8.190 nan 0.000 0.483 47 T N -0.373 114.244 114.554 0.105 0.000 3.086 47 T HA 0.091 4.440 4.350 -0.001 0.000 0.250 47 T C 0.692 175.420 174.700 0.047 0.000 1.074 47 T CA -0.089 62.079 62.100 0.114 0.000 0.988 47 T CB 0.044 68.967 68.868 0.091 0.000 0.988 47 T HN 0.484 nan 8.240 nan 0.000 0.530 48 T N 3.139 117.671 114.554 -0.036 0.000 2.771 48 T HA 0.606 4.955 4.350 -0.001 0.000 0.281 48 T C -0.285 174.332 174.700 -0.137 0.000 0.982 48 T CA -0.628 61.346 62.100 -0.209 0.000 0.978 48 T CB 1.573 70.183 68.868 -0.430 0.000 0.930 48 T HN 0.377 nan 8.240 nan 0.000 0.447 49 V N 1.023 120.863 119.914 -0.123 0.000 2.513 49 V HA 0.709 4.828 4.120 -0.001 0.000 0.299 49 V C -0.680 175.303 176.094 -0.185 0.000 1.035 49 V CA -1.043 61.216 62.300 -0.068 0.000 0.889 49 V CB 1.759 33.548 31.823 -0.057 0.000 0.988 49 V HN 0.787 nan 8.190 nan 0.000 0.440 50 D N 2.764 123.058 120.400 -0.176 0.000 2.349 50 D HA 0.475 5.114 4.640 -0.001 0.000 0.232 50 D C -0.246 175.906 176.300 -0.247 0.000 1.071 50 D CA -0.182 53.722 54.000 -0.161 0.000 0.832 50 D CB 0.747 41.514 40.800 -0.056 0.000 1.086 50 D HN 0.781 nan 8.370 nan 0.000 0.504 51 H N 1.647 120.704 119.070 -0.022 0.000 2.896 51 H HA 0.908 5.463 4.556 -0.001 0.000 0.318 51 H C -0.813 174.382 175.328 -0.223 0.000 1.409 51 H CA -1.089 54.958 56.048 -0.002 0.000 1.328 51 H CB 1.879 31.546 29.762 -0.158 0.000 1.940 51 H HN 0.484 nan 8.280 nan 0.000 0.665 52 A N 0.318 122.969 122.820 -0.282 0.000 2.594 52 A HA 0.169 4.488 4.320 -0.001 0.000 0.296 52 A C 0.364 177.694 177.584 -0.425 0.000 1.056 52 A CA -0.223 51.378 52.037 -0.726 0.000 0.693 52 A CB 1.257 19.123 19.000 -1.889 0.000 1.278 52 A HN 0.678 nan 8.150 nan 0.000 0.408 53 D N 0.772 121.022 120.400 -0.251 0.000 2.192 53 D HA -0.261 4.378 4.640 -0.001 0.000 0.189 53 D C 1.567 177.777 176.300 -0.148 0.000 1.007 53 D CA 2.945 56.897 54.000 -0.079 0.000 0.859 53 D CB -0.076 40.743 40.800 0.032 0.000 0.936 53 D HN 0.742 nan 8.370 nan 0.000 0.447 54 I N -3.187 117.161 120.570 -0.371 0.000 2.585 54 I HA -0.004 4.165 4.170 -0.001 0.000 0.254 54 I C 0.195 176.152 176.117 -0.266 0.000 1.129 54 I CA -0.211 60.656 61.300 -0.722 0.000 1.455 54 I CB -0.734 36.875 38.000 -0.652 0.000 1.111 54 I HN -0.192 nan 8.210 nan 0.000 0.433 55 Y N 3.978 124.231 120.300 -0.079 0.000 3.079 55 Y HA 0.068 4.617 4.550 -0.002 0.000 0.368 55 Y C 1.643 177.564 175.900 0.035 0.000 1.224 55 Y CA 0.850 59.002 58.100 0.088 0.000 1.599 55 Y CB -1.331 37.228 38.460 0.165 0.000 1.098 55 Y HN 0.497 nan 8.280 nan 0.000 0.588 56 G N 2.116 111.038 108.800 0.203 0.000 2.333 56 G HA2 0.103 4.062 3.960 -0.001 0.000 0.296 56 G HA3 0.103 4.062 3.960 -0.001 0.000 0.296 56 G C 0.831 175.772 174.900 0.069 0.000 1.059 56 G CA 0.656 45.794 45.100 0.063 0.000 1.050 56 G HN 2.050 nan 8.290 nan 0.000 0.508 57 G N -0.361 108.480 108.800 0.068 0.000 2.305 57 G HA2 -0.072 3.887 3.960 -0.001 0.000 0.287 57 G HA3 -0.072 3.887 3.960 -0.001 0.000 0.287 57 G C 0.647 175.692 174.900 0.242 0.000 1.036 57 G CA 0.893 46.069 45.100 0.126 0.000 0.887 57 G HN 2.232 nan 8.290 nan 0.000 0.505 58 Y N -2.412 117.937 120.300 0.081 0.000 3.689 58 Y HA -0.268 4.282 4.550 -0.001 0.000 0.221 58 Y C 1.345 177.273 175.900 0.047 0.000 1.247 58 Y CA 2.028 60.163 58.100 0.059 0.000 1.671 58 Y CB -1.882 36.602 38.460 0.040 0.000 1.521 58 Y HN 0.930 nan 8.280 nan 0.000 0.632 59 Q N -3.886 116.006 119.800 0.154 0.000 1.986 59 Q HA 0.350 4.689 4.340 -0.001 0.000 0.225 59 Q C 0.672 176.722 176.000 0.083 0.000 0.836 59 Q CA 0.352 56.219 55.803 0.107 0.000 1.008 59 Q CB -0.309 28.483 28.738 0.089 0.000 1.253 59 Q HN 0.401 nan 8.270 nan 0.000 0.415 60 C N 0.903 120.266 119.300 0.105 0.000 2.512 60 C HA 0.072 4.531 4.460 -0.001 0.000 0.276 60 C C 2.146 177.196 174.990 0.100 0.000 1.368 60 C CA 0.728 59.817 59.018 0.119 0.000 1.755 60 C CB -0.027 27.830 27.740 0.195 0.000 2.008 60 C HN 0.593 nan 8.230 nan 0.000 0.511 61 E N 1.390 121.611 120.200 0.035 0.000 2.047 61 E HA -0.130 4.219 4.350 -0.001 0.000 0.191 61 E C 2.394 178.976 176.600 -0.031 0.000 0.987 61 E CA 1.290 57.620 56.400 -0.117 0.000 0.799 61 E CB -0.249 29.389 29.700 -0.104 0.000 0.752 61 E HN 0.608 nan 8.360 nan 0.000 0.449 62 A N 1.824 124.652 122.820 0.014 0.000 1.873 62 A HA -0.232 4.088 4.320 -0.001 0.000 0.218 62 A C 2.454 180.056 177.584 0.030 0.000 1.193 62 A CA 2.146 54.195 52.037 0.019 0.000 0.629 62 A CB -0.926 18.093 19.000 0.031 0.000 0.826 62 A HN 0.311 nan 8.150 nan 0.000 0.447 63 A N -1.838 121.015 122.820 0.055 0.000 1.978 63 A HA -0.093 4.226 4.320 -0.001 0.000 0.220 63 A C 2.028 179.669 177.584 0.095 0.000 1.170 63 A CA 1.708 53.786 52.037 0.068 0.000 0.636 63 A CB -0.663 18.383 19.000 0.076 0.000 0.810 63 A HN 0.721 nan 8.150 nan 0.000 0.448 64 F N 0.769 120.676 119.950 -0.072 0.000 2.456 64 F HA 0.142 4.668 4.527 -0.001 0.000 0.298 64 F C 2.126 177.857 175.800 -0.116 0.000 1.104 64 F CA 0.918 58.852 58.000 -0.110 0.000 1.435 64 F CB -0.312 38.536 39.000 -0.254 0.000 1.078 64 F HN 0.191 nan 8.300 nan 0.000 0.546 65 G N -0.409 108.363 108.800 -0.046 0.000 2.464 65 G HA2 -0.136 3.823 3.960 -0.001 0.000 0.217 65 G HA3 -0.136 3.823 3.960 -0.001 0.000 0.217 65 G C 1.525 176.356 174.900 -0.114 0.000 1.138 65 G CA 0.346 45.383 45.100 -0.104 0.000 0.793 65 G HN 0.233 nan 8.290 nan 0.000 0.539 66 E N 1.247 121.401 120.200 -0.077 0.000 2.047 66 E HA -0.026 4.323 4.350 -0.001 0.000 0.191 66 E C 2.932 179.480 176.600 -0.086 0.000 0.987 66 E CA 1.034 57.399 56.400 -0.057 0.000 0.799 66 E CB -0.716 28.971 29.700 -0.022 0.000 0.752 66 E HN 0.309 nan 8.360 nan 0.000 0.449 67 A N 0.971 123.718 122.820 -0.122 0.000 1.940 67 A HA -0.171 4.148 4.320 -0.001 0.000 0.219 67 A C 2.271 179.735 177.584 -0.200 0.000 1.176 67 A CA 1.254 53.206 52.037 -0.142 0.000 0.631 67 A CB -0.565 18.336 19.000 -0.166 0.000 0.814 67 A HN 0.163 nan 8.150 nan 0.000 0.446 68 L N -0.357 120.686 121.223 -0.301 0.000 2.093 68 L HA -0.079 4.260 4.340 -0.001 0.000 0.208 68 L C 2.210 179.002 176.870 -0.130 0.000 1.085 68 L CA 1.717 56.398 54.840 -0.264 0.000 0.755 68 L CB -0.299 41.571 42.059 -0.315 0.000 0.904 68 L HN 0.298 nan 8.230 nan 0.000 0.435 69 K N -0.625 119.715 120.400 -0.101 0.000 2.504 69 K HA 0.003 4.322 4.320 -0.001 0.000 0.195 69 K C 1.507 178.088 176.600 -0.031 0.000 1.036 69 K CA 0.630 56.885 56.287 -0.053 0.000 0.984 69 K CB 0.014 32.487 32.500 -0.044 0.000 0.788 69 K HN 0.338 nan 8.250 nan 0.000 0.488 70 L N -0.598 120.604 121.223 -0.035 0.000 2.590 70 L HA 0.191 4.530 4.340 -0.001 0.000 0.227 70 L C 0.743 177.625 176.870 0.021 0.000 1.099 70 L CA -0.136 54.699 54.840 -0.009 0.000 0.872 70 L CB 0.520 42.572 42.059 -0.011 0.000 1.088 70 L HN -0.071 nan 8.230 nan 0.000 0.479 71 A N 0.681 123.513 122.820 0.020 0.000 3.317 71 A HA 0.404 4.723 4.320 -0.001 0.000 0.307 71 A C -2.072 175.594 177.584 0.136 0.000 1.003 71 A CA -0.715 51.393 52.037 0.118 0.000 0.882 71 A CB -0.080 18.926 19.000 0.009 0.000 1.136 71 A HN -0.108 nan 8.150 nan 0.000 0.488 72 P HA -0.109 nan 4.420 nan 0.000 0.288 72 P C 0.216 177.615 177.300 0.165 0.000 1.448 72 P CA 0.971 64.131 63.100 0.099 0.000 0.764 72 P CB -0.479 31.253 31.700 0.054 0.000 1.472 73 H N -2.737 116.315 119.070 -0.029 0.000 3.398 73 H HA 0.258 4.813 4.556 -0.001 0.000 0.260 73 H C 1.285 176.603 175.328 -0.018 0.000 1.189 73 H CA -0.249 55.788 56.048 -0.018 0.000 1.145 73 H CB -0.607 29.145 29.762 -0.016 0.000 1.599 73 H HN 0.085 nan 8.280 nan 0.000 0.615 74 L N 0.224 121.244 121.223 -0.338 0.000 2.127 74 L HA 0.155 4.494 4.340 -0.001 0.000 0.203 74 L C 2.242 179.041 176.870 -0.118 0.000 1.080 74 L CA 0.315 54.972 54.840 -0.304 0.000 0.768 74 L CB -0.206 41.655 42.059 -0.330 0.000 0.924 74 L HN 0.007 nan 8.230 nan 0.000 0.444 75 R N 1.244 121.697 120.500 -0.077 0.000 2.500 75 R HA -0.130 4.209 4.340 -0.001 0.000 0.212 75 R C 1.068 177.383 176.300 0.024 0.000 1.330 75 R CA 0.610 56.699 56.100 -0.019 0.000 1.262 75 R CB -0.302 29.984 30.300 -0.022 0.000 0.998 75 R HN 0.537 nan 8.270 nan 0.000 0.484 76 E N -0.904 119.309 120.200 0.021 0.000 2.444 76 E HA 0.033 4.382 4.350 -0.001 0.000 0.209 76 E C 0.955 177.584 176.600 0.048 0.000 0.806 76 E CA -0.285 56.146 56.400 0.050 0.000 1.240 76 E CB 0.324 30.053 29.700 0.048 0.000 1.238 76 E HN 0.182 nan 8.360 nan 0.000 0.591 77 R N 0.684 121.200 120.500 0.025 0.000 2.276 77 R HA 0.151 4.491 4.340 -0.001 0.000 0.203 77 R C 1.063 177.394 176.300 0.053 0.000 1.017 77 R CA 0.715 56.834 56.100 0.032 0.000 1.010 77 R CB -0.089 30.213 30.300 0.003 0.000 0.900 77 R HN 0.278 nan 8.270 nan 0.000 0.469 78 M N -0.396 119.239 119.600 0.058 0.000 2.664 78 M HA 0.499 4.978 4.480 -0.001 0.000 0.314 78 M C -1.328 175.003 176.300 0.052 0.000 1.200 78 M CA -0.844 54.501 55.300 0.074 0.000 0.916 78 M CB 2.220 34.893 32.600 0.122 0.000 1.717 78 M HN -0.317 nan 8.290 nan 0.000 0.470 79 E N 2.186 122.388 120.200 0.002 0.000 2.165 79 E HA 0.560 4.910 4.350 -0.001 0.000 0.266 79 E C -1.232 175.276 176.600 -0.154 0.000 0.889 79 E CA -0.250 56.123 56.400 -0.045 0.000 0.756 79 E CB 2.150 31.819 29.700 -0.052 0.000 1.131 79 E HN 0.576 nan 8.360 nan 0.000 0.411 80 I N 3.244 123.749 120.570 -0.109 0.000 2.315 80 I HA 0.282 4.451 4.170 -0.001 0.000 0.291 80 I C -0.572 175.471 176.117 -0.124 0.000 1.006 80 I CA -1.018 60.221 61.300 -0.102 0.000 1.265 80 I CB 1.055 39.015 38.000 -0.067 0.000 1.387 80 I HN 0.200 nan 8.210 nan 0.000 0.475 81 V N 5.428 125.259 119.914 -0.139 0.000 2.483 81 V HA 0.499 4.618 4.120 -0.001 0.000 0.295 81 V C 0.029 176.070 176.094 -0.088 0.000 1.035 81 V CA -0.175 62.059 62.300 -0.111 0.000 0.896 81 V CB 1.759 33.506 31.823 -0.125 0.000 0.986 81 V HN 0.821 nan 8.190 nan 0.000 0.447 82 S N 3.901 119.535 115.700 -0.110 0.000 2.651 82 S HA 0.765 5.234 4.470 -0.001 0.000 0.279 82 S C -1.138 173.352 174.600 -0.183 0.000 1.148 82 S CA -0.809 57.313 58.200 -0.129 0.000 0.837 82 S CB 1.936 65.075 63.200 -0.102 0.000 1.138 82 S HN 0.738 nan 8.310 nan 0.000 0.478 83 K N 0.176 120.424 120.400 -0.253 0.000 2.409 83 K HA 0.856 5.176 4.320 -0.001 0.000 0.252 83 K C -1.394 175.154 176.600 -0.086 0.000 1.036 83 K CA -0.939 55.193 56.287 -0.257 0.000 0.871 83 K CB 1.530 33.625 32.500 -0.675 0.000 1.374 83 K HN 0.928 nan 8.250 nan 0.000 0.459 84 C N -2.782 116.553 119.300 0.058 0.000 3.283 84 C HA 0.831 5.290 4.460 -0.001 0.000 0.359 84 C C 0.550 175.686 174.990 0.243 0.000 1.160 84 C CA 0.276 59.400 59.018 0.178 0.000 1.232 84 C CB 0.683 28.527 27.740 0.173 0.000 1.571 84 C HN 1.052 nan 8.230 nan 0.000 0.522 85 G N 1.149 110.105 108.800 0.260 0.000 2.977 85 G HA2 0.054 4.013 3.960 -0.001 0.000 0.211 85 G HA3 0.054 4.013 3.960 -0.001 0.000 0.211 85 G C -0.351 174.663 174.900 0.191 0.000 0.994 85 G CA 0.215 45.439 45.100 0.206 0.000 0.795 85 G HN 0.998 nan 8.290 nan 0.000 0.518 86 I N 1.437 122.094 120.570 0.146 0.000 2.707 86 I HA 0.708 4.877 4.170 -0.001 0.000 0.309 86 I C 0.206 176.309 176.117 -0.023 0.000 1.001 86 I CA -0.869 60.475 61.300 0.073 0.000 1.129 86 I CB 2.115 40.048 38.000 -0.112 0.000 1.308 86 I HN 0.219 nan 8.210 nan 0.000 0.466 87 A N 2.888 125.596 122.820 -0.188 0.000 2.457 87 A HA 0.578 4.897 4.320 -0.001 0.000 0.283 87 A C -0.151 177.356 177.584 -0.128 0.000 1.166 87 A CA -0.565 51.356 52.037 -0.193 0.000 0.740 87 A CB 0.772 19.368 19.000 -0.673 0.000 1.181 87 A HN 0.751 nan 8.150 nan 0.000 0.446 88 T N -0.724 113.876 114.554 0.077 0.000 2.816 88 T HA 0.415 4.764 4.350 -0.001 0.000 0.282 88 T C 1.201 175.983 174.700 0.138 0.000 0.993 88 T CA 0.444 62.592 62.100 0.080 0.000 0.994 88 T CB 0.780 69.693 68.868 0.075 0.000 1.025 88 T HN 1.003 nan 8.240 nan 0.000 0.529 89 T N -2.437 112.178 114.554 0.102 0.000 3.129 89 T HA 0.306 4.655 4.350 -0.001 0.000 0.251 89 T C 2.052 176.816 174.700 0.108 0.000 1.117 89 T CA 0.161 62.319 62.100 0.096 0.000 1.034 89 T CB -0.540 68.367 68.868 0.065 0.000 0.968 89 T HN 0.768 nan 8.240 nan 0.000 0.526 90 A N 2.030 124.946 122.820 0.162 0.000 1.933 90 A HA 0.039 4.359 4.320 -0.001 0.000 0.218 90 A C 1.620 179.279 177.584 0.124 0.000 1.175 90 A CA 0.512 52.651 52.037 0.170 0.000 0.628 90 A CB -0.265 18.901 19.000 0.277 0.000 0.814 90 A HN 0.363 nan 8.150 nan 0.000 0.444 91 R N -0.155 120.407 120.500 0.104 0.000 2.679 91 R HA 0.135 4.474 4.340 -0.001 0.000 0.269 91 R C 0.732 177.044 176.300 0.020 0.000 1.076 91 R CA 0.062 56.155 56.100 -0.012 0.000 1.160 91 R CB 0.178 30.426 30.300 -0.086 0.000 1.054 91 R HN 0.624 nan 8.270 nan 0.000 0.507 92 E N 1.233 121.433 120.200 0.001 0.000 2.442 92 E HA -0.098 4.252 4.350 -0.001 0.000 0.195 92 E C 0.459 177.068 176.600 0.015 0.000 1.030 92 E CA 0.452 56.859 56.400 0.012 0.000 0.869 92 E CB 0.441 30.143 29.700 0.004 0.000 0.857 92 E HN 0.586 nan 8.360 nan 0.000 0.505 93 E N 0.187 120.396 120.200 0.014 0.000 2.170 93 E HA -0.019 4.330 4.350 -0.001 0.000 0.191 93 E C 0.118 176.751 176.600 0.054 0.000 0.981 93 E CA 0.211 56.626 56.400 0.025 0.000 0.830 93 E CB -0.009 29.704 29.700 0.022 0.000 0.775 93 E HN 0.025 nan 8.360 nan 0.000 0.470 94 N N 1.536 120.286 118.700 0.083 0.000 2.415 94 N HA 0.057 4.796 4.740 -0.001 0.000 0.246 94 N C 0.577 176.144 175.510 0.095 0.000 1.078 94 N CA -0.036 53.102 53.050 0.146 0.000 0.942 94 N CB 1.961 40.564 38.487 0.192 0.000 1.140 94 N HN -0.060 nan 8.380 nan 0.000 0.501 95 V N 2.360 122.310 119.914 0.061 0.000 2.302 95 V HA 0.074 4.193 4.120 -0.001 0.000 0.243 95 V C 1.245 177.364 176.094 0.042 0.000 1.036 95 V CA 0.954 63.273 62.300 0.033 0.000 1.020 95 V CB 0.000 31.824 31.823 0.001 0.000 0.657 95 V HN 0.597 nan 8.190 nan 0.000 0.453 96 I N -0.159 120.440 120.570 0.049 0.000 2.607 96 I HA 0.629 4.798 4.170 -0.001 0.000 0.305 96 I C 0.611 176.821 176.117 0.156 0.000 0.995 96 I CA -0.599 60.735 61.300 0.056 0.000 1.148 96 I CB 1.652 39.652 38.000 0.001 0.000 1.323 96 I HN 0.268 nan 8.210 nan 0.000 0.461 97 G N 5.281 114.125 108.800 0.073 0.000 2.364 97 G HA2 0.411 4.370 3.960 -0.001 0.000 0.267 97 G HA3 0.411 4.370 3.960 -0.001 0.000 0.267 97 G C -0.548 174.342 174.900 -0.016 0.000 1.233 97 G CA -0.094 45.017 45.100 0.018 0.000 0.885 97 G HN 0.846 nan 8.290 nan 0.000 0.490 98 H N 0.579 119.526 119.070 -0.205 0.000 3.161 98 H HA 0.510 5.065 4.556 -0.001 0.000 0.285 98 H C -1.568 173.563 175.328 -0.327 0.000 1.588 98 H CA -1.022 54.836 56.048 -0.317 0.000 1.218 98 H CB 0.693 30.366 29.762 -0.149 0.000 1.841 98 H HN 0.363 nan 8.280 nan 0.000 0.623 99 Y N -0.614 119.686 120.300 -0.000 0.000 2.587 99 Y HA 0.631 5.181 4.550 -0.001 0.000 0.337 99 Y C 0.142 176.010 175.900 -0.053 0.000 1.065 99 Y CA -1.313 56.743 58.100 -0.073 0.000 1.126 99 Y CB 1.879 40.338 38.460 -0.001 0.000 1.279 99 Y HN 0.414 nan 8.280 nan 0.000 0.489 100 I N 1.476 122.075 120.570 0.048 0.000 2.563 100 I HA 0.155 4.324 4.170 -0.001 0.000 0.281 100 I C -0.433 175.624 176.117 -0.100 0.000 1.110 100 I CA -0.288 60.925 61.300 -0.145 0.000 1.073 100 I CB 1.681 39.332 38.000 -0.581 0.000 1.215 100 I HN 0.770 nan 8.210 nan 0.000 0.460 101 T N -1.034 113.520 114.554 0.001 0.000 3.228 101 T HA 0.142 4.492 4.350 -0.001 0.000 0.278 101 T C 0.210 174.930 174.700 0.033 0.000 1.014 101 T CA -0.623 61.503 62.100 0.044 0.000 0.904 101 T CB -0.365 68.524 68.868 0.035 0.000 1.110 101 T HN 0.576 nan 8.240 nan 0.000 0.541 102 D N 0.704 121.125 120.400 0.034 0.000 2.329 102 D HA 0.164 4.803 4.640 -0.001 0.000 0.246 102 D C 1.218 177.562 176.300 0.075 0.000 1.111 102 D CA -0.834 53.189 54.000 0.039 0.000 0.941 102 D CB 1.894 42.714 40.800 0.035 0.000 1.169 102 D HN 0.064 nan 8.370 nan 0.000 0.441 103 R N 0.931 121.454 120.500 0.038 0.000 2.132 103 R HA -0.220 4.120 4.340 -0.001 0.000 0.233 103 R C 1.254 177.598 176.300 0.074 0.000 1.125 103 R CA 2.272 58.396 56.100 0.041 0.000 0.914 103 R CB -0.392 29.910 30.300 0.004 0.000 0.845 103 R HN 0.531 nan 8.270 nan 0.000 0.431 104 D N -0.698 119.737 120.400 0.058 0.000 2.203 104 D HA -0.239 4.400 4.640 -0.001 0.000 0.199 104 D C 1.842 178.202 176.300 0.100 0.000 0.997 104 D CA 1.353 55.387 54.000 0.056 0.000 0.863 104 D CB -0.492 40.335 40.800 0.045 0.000 0.928 104 D HN 0.509 nan 8.370 nan 0.000 0.458 105 H N 0.647 119.745 119.070 0.048 0.000 2.448 105 H HA 0.083 4.638 4.556 -0.001 0.000 0.292 105 H C 2.238 177.621 175.328 0.091 0.000 1.035 105 H CA 0.351 56.438 56.048 0.065 0.000 1.349 105 H CB 0.043 29.846 29.762 0.068 0.000 1.425 105 H HN 0.131 nan 8.280 nan 0.000 0.539 106 I N 0.400 121.121 120.570 0.251 0.000 2.546 106 I HA -0.200 3.969 4.170 -0.001 0.000 0.255 106 I C 2.163 178.382 176.117 0.171 0.000 1.163 106 I CA 0.727 62.172 61.300 0.241 0.000 1.457 106 I CB -0.003 38.151 38.000 0.256 0.000 1.092 106 I HN 0.201 nan 8.210 nan 0.000 0.434 107 I N 0.320 120.971 120.570 0.136 0.000 2.494 107 I HA -0.190 3.979 4.170 -0.001 0.000 0.250 107 I C 2.590 178.745 176.117 0.064 0.000 1.112 107 I CA 0.661 62.047 61.300 0.143 0.000 1.438 107 I CB -0.332 37.758 38.000 0.149 0.000 1.111 107 I HN 0.119 nan 8.210 nan 0.000 0.431 108 K N 1.387 121.785 120.400 -0.002 0.000 2.063 108 K HA -0.225 4.094 4.320 -0.001 0.000 0.208 108 K C 2.196 178.743 176.600 -0.089 0.000 1.048 108 K CA 2.209 58.466 56.287 -0.051 0.000 0.928 108 K CB -0.070 32.375 32.500 -0.091 0.000 0.713 108 K HN 0.381 nan 8.250 nan 0.000 0.442 109 S N -0.513 115.092 115.700 -0.159 0.000 2.470 109 S HA 0.091 4.561 4.470 -0.001 0.000 0.225 109 S C 2.094 176.678 174.600 -0.027 0.000 1.006 109 S CA 0.484 58.612 58.200 -0.121 0.000 0.934 109 S CB 0.193 63.281 63.200 -0.186 0.000 0.778 109 S HN 0.382 nan 8.310 nan 0.000 0.517 110 A N 2.241 125.070 122.820 0.014 0.000 1.897 110 A HA -0.001 4.318 4.320 -0.001 0.000 0.215 110 A C 2.099 179.690 177.584 0.013 0.000 1.181 110 A CA 1.322 53.378 52.037 0.031 0.000 0.620 110 A CB -0.647 18.405 19.000 0.087 0.000 0.821 110 A HN 0.656 nan 8.150 nan 0.000 0.443 111 E N -0.848 119.367 120.200 0.025 0.000 2.204 111 E HA -0.221 4.128 4.350 -0.001 0.000 0.194 111 E C 2.132 178.733 176.600 0.001 0.000 0.989 111 E CA 1.161 57.572 56.400 0.020 0.000 0.824 111 E CB -0.089 29.633 29.700 0.037 0.000 0.756 111 E HN 0.653 nan 8.360 nan 0.000 0.477 112 Q N 0.760 120.555 119.800 -0.008 0.000 2.046 112 Q HA -0.081 4.258 4.340 -0.001 0.000 0.200 112 Q C 2.105 178.096 176.000 -0.015 0.000 0.975 112 Q CA 1.648 57.444 55.803 -0.012 0.000 0.836 112 Q CB -0.163 28.566 28.738 -0.015 0.000 0.896 112 Q HN 0.033 nan 8.270 nan 0.000 0.428 113 S N 0.102 115.788 115.700 -0.022 0.000 2.383 113 S HA -0.128 4.341 4.470 -0.001 0.000 0.229 113 S C 1.566 176.135 174.600 -0.053 0.000 1.030 113 S CA 0.968 59.142 58.200 -0.043 0.000 1.002 113 S CB -0.310 62.856 63.200 -0.055 0.000 0.829 113 S HN 0.268 nan 8.310 nan 0.000 0.467 114 L N 1.447 122.646 121.223 -0.040 0.000 2.046 114 L HA 0.006 4.345 4.340 -0.001 0.000 0.208 114 L C 1.979 178.832 176.870 -0.029 0.000 1.077 114 L CA 1.408 56.224 54.840 -0.039 0.000 0.747 114 L CB -0.936 41.112 42.059 -0.019 0.000 0.896 114 L HN 0.337 nan 8.230 nan 0.000 0.432 115 I N -0.706 119.852 120.570 -0.020 0.000 2.133 115 I HA -0.295 3.874 4.170 -0.001 0.000 0.238 115 I C 2.139 178.243 176.117 -0.021 0.000 1.074 115 I CA 1.050 62.341 61.300 -0.015 0.000 1.342 115 I CB -0.458 37.537 38.000 -0.009 0.000 1.053 115 I HN 0.323 nan 8.210 nan 0.000 0.404 116 N N 1.287 119.973 118.700 -0.023 0.000 2.094 116 N HA -0.172 4.567 4.740 -0.001 0.000 0.191 116 N C 1.721 177.209 175.510 -0.037 0.000 1.023 116 N CA 1.424 54.460 53.050 -0.025 0.000 0.857 116 N CB -0.454 38.020 38.487 -0.022 0.000 1.013 116 N HN 0.359 nan 8.380 nan 0.000 0.426 117 L N 1.070 122.262 121.223 -0.052 0.000 2.645 117 L HA 0.188 4.528 4.340 -0.001 0.000 0.235 117 L C 0.528 177.371 176.870 -0.045 0.000 1.150 117 L CA -0.229 54.585 54.840 -0.043 0.000 0.911 117 L CB -0.457 41.562 42.059 -0.067 0.000 1.077 117 L HN 0.045 nan 8.230 nan 0.000 0.438 118 A N 0.364 123.158 122.820 -0.043 0.000 2.466 118 A HA -0.209 4.111 4.320 -0.001 0.000 0.295 118 A C 0.470 178.034 177.584 -0.034 0.000 1.465 118 A CA 1.307 53.320 52.037 -0.040 0.000 0.744 118 A CB -1.672 17.294 19.000 -0.057 0.000 1.098 118 A HN 0.446 nan 8.150 nan 0.000 0.402 119 T N -1.393 113.145 114.554 -0.027 0.000 2.739 119 T HA 0.546 4.895 4.350 -0.001 0.000 0.303 119 T C 0.034 174.742 174.700 0.013 0.000 1.389 119 T CA 0.315 62.407 62.100 -0.014 0.000 1.001 119 T CB 1.283 70.109 68.868 -0.071 0.000 1.436 119 T HN 0.891 nan 8.240 nan 0.000 0.500 120 D N 0.749 121.200 120.400 0.085 0.000 2.440 120 D HA 0.131 4.770 4.640 -0.001 0.000 0.216 120 D C 0.192 176.590 176.300 0.164 0.000 1.150 120 D CA -0.058 54.003 54.000 0.101 0.000 0.832 120 D CB -0.001 40.850 40.800 0.085 0.000 0.992 120 D HN 0.757 nan 8.370 nan 0.000 0.502 121 H N -1.653 117.386 119.070 -0.052 0.000 3.043 121 H HA 0.376 4.931 4.556 -0.002 0.000 0.317 121 H C -1.859 173.417 175.328 -0.087 0.000 1.321 121 H CA -0.862 55.137 56.048 -0.081 0.000 1.243 121 H CB 0.267 29.972 29.762 -0.095 0.000 1.924 121 H HN -0.115 nan 8.280 nan 0.000 0.527 122 L N 1.386 122.468 121.223 -0.235 0.000 2.334 122 L HA 0.282 4.621 4.340 -0.001 0.000 0.272 122 L C 0.715 177.454 176.870 -0.218 0.000 1.020 122 L CA -0.734 53.945 54.840 -0.269 0.000 0.812 122 L CB 1.576 43.511 42.059 -0.206 0.000 1.264 122 L HN 0.653 nan 8.230 nan 0.000 0.439 123 D N 1.233 121.546 120.400 -0.145 0.000 2.240 123 D HA 0.161 4.800 4.640 -0.001 0.000 0.206 123 D C 0.089 176.374 176.300 -0.024 0.000 0.963 123 D CA 1.028 55.024 54.000 -0.007 0.000 0.863 123 D CB 1.168 42.068 40.800 0.165 0.000 0.973 123 D HN 0.170 nan 8.370 nan 0.000 0.501 124 L N 1.245 122.430 121.223 -0.064 0.000 2.455 124 L HA 0.336 4.675 4.340 -0.001 0.000 0.264 124 L C -1.739 175.005 176.870 -0.211 0.000 0.968 124 L CA -0.559 54.218 54.840 -0.105 0.000 0.827 124 L CB 3.106 45.241 42.059 0.128 0.000 1.317 124 L HN -0.125 nan 8.230 nan 0.000 0.407 125 L N 5.430 126.453 121.223 -0.333 0.000 2.342 125 L HA 0.472 4.811 4.340 -0.001 0.000 0.276 125 L C -1.531 175.251 176.870 -0.147 0.000 0.997 125 L CA -0.524 54.167 54.840 -0.248 0.000 0.838 125 L CB 1.640 43.513 42.059 -0.312 0.000 1.224 125 L HN 0.495 nan 8.230 nan 0.000 0.416 126 L N 5.283 126.454 121.223 -0.087 0.000 2.325 126 L HA 0.407 4.746 4.340 -0.001 0.000 0.279 126 L C 0.331 177.216 176.870 0.024 0.000 1.054 126 L CA -0.237 54.572 54.840 -0.051 0.000 0.804 126 L CB 1.566 43.554 42.059 -0.119 0.000 1.200 126 L HN 0.399 nan 8.230 nan 0.000 0.436 127 I N 4.409 125.019 120.570 0.066 0.000 2.260 127 I HA 0.018 4.187 4.170 -0.001 0.000 0.297 127 I C 1.633 177.787 176.117 0.062 0.000 1.143 127 I CA -0.051 61.330 61.300 0.134 0.000 1.271 127 I CB -0.151 37.953 38.000 0.173 0.000 1.461 127 I HN 0.660 nan 8.210 nan 0.000 0.530 128 H N 5.265 124.332 119.070 -0.005 0.000 2.312 128 H HA -0.190 4.365 4.556 -0.001 0.000 0.285 128 H C 0.775 176.104 175.328 0.002 0.000 1.120 128 H CA 1.867 57.891 56.048 -0.040 0.000 1.179 128 H CB 0.337 30.069 29.762 -0.050 0.000 1.349 128 H HN 0.446 nan 8.280 nan 0.000 0.473 129 R N -0.693 119.914 120.500 0.178 0.000 2.698 129 R HA 0.307 4.646 4.340 -0.001 0.000 0.275 129 R C -2.631 173.683 176.300 0.023 0.000 1.001 129 R CA -1.865 54.277 56.100 0.071 0.000 0.896 129 R CB 1.943 32.154 30.300 -0.149 0.000 1.218 129 R HN 0.012 nan 8.270 nan 0.000 0.462 130 P HA 0.075 nan 4.420 nan 0.000 0.271 130 P C -1.119 175.899 177.300 -0.469 0.000 1.233 130 P CA 0.025 62.908 63.100 -0.362 0.000 0.764 130 P CB 0.873 32.299 31.700 -0.457 0.000 0.825 131 D N 4.630 124.808 120.400 -0.369 0.000 2.256 131 D HA 0.277 4.916 4.640 -0.001 0.000 0.240 131 D C -1.519 174.732 176.300 -0.082 0.000 1.062 131 D CA -2.523 51.338 54.000 -0.231 0.000 0.832 131 D CB 1.139 41.868 40.800 -0.119 0.000 1.135 131 D HN 0.079 nan 8.370 nan 0.000 0.484 132 P HA -0.034 nan 4.420 nan 0.000 0.219 132 P C 0.725 178.029 177.300 0.006 0.000 1.146 132 P CA 0.920 64.030 63.100 0.016 0.000 0.808 132 P CB 0.255 31.993 31.700 0.063 0.000 0.779 133 L N -2.307 118.932 121.223 0.027 0.000 2.700 133 L HA 0.275 4.614 4.340 -0.001 0.000 0.234 133 L C 0.976 177.844 176.870 -0.003 0.000 1.156 133 L CA -0.447 54.403 54.840 0.015 0.000 0.946 133 L CB -0.277 41.804 42.059 0.036 0.000 1.216 133 L HN 0.075 nan 8.230 nan 0.000 0.493 134 M N 1.305 120.889 119.600 -0.026 0.000 2.246 134 M HA 0.023 4.502 4.480 -0.001 0.000 0.350 134 M C -0.431 175.841 176.300 -0.047 0.000 1.406 134 M CA 0.559 55.836 55.300 -0.039 0.000 1.089 134 M CB 0.532 33.095 32.600 -0.062 0.000 1.782 134 M HN -0.073 nan 8.290 nan 0.000 0.457 135 D N 4.622 124.994 120.400 -0.047 0.000 2.473 135 D HA 0.324 4.963 4.640 -0.001 0.000 0.226 135 D C 0.835 177.089 176.300 -0.077 0.000 1.089 135 D CA 0.048 54.016 54.000 -0.053 0.000 0.883 135 D CB 1.218 41.992 40.800 -0.042 0.000 1.029 135 D HN 0.791 nan 8.370 nan 0.000 0.517 136 A N 3.825 126.597 122.820 -0.081 0.000 2.104 136 A HA -0.240 4.079 4.320 -0.001 0.000 0.223 136 A C 1.645 179.154 177.584 -0.125 0.000 1.164 136 A CA 1.532 53.507 52.037 -0.103 0.000 0.659 136 A CB -0.022 18.929 19.000 -0.081 0.000 0.808 136 A HN 0.535 nan 8.150 nan 0.000 0.465 137 D N -1.047 119.294 120.400 -0.098 0.000 2.162 137 D HA -0.040 4.599 4.640 -0.001 0.000 0.205 137 D C 1.941 178.180 176.300 -0.101 0.000 0.964 137 D CA 1.098 55.041 54.000 -0.095 0.000 0.847 137 D CB -0.304 40.456 40.800 -0.067 0.000 0.988 137 D HN 0.639 nan 8.370 nan 0.000 0.480 138 E N 0.451 120.599 120.200 -0.087 0.000 2.077 138 E HA -0.118 4.231 4.350 -0.001 0.000 0.193 138 E C 2.247 178.775 176.600 -0.119 0.000 0.989 138 E CA 0.605 56.960 56.400 -0.075 0.000 0.800 138 E CB 0.157 29.826 29.700 -0.050 0.000 0.746 138 E HN -0.003 nan 8.360 nan 0.000 0.452 139 V N 1.052 120.855 119.914 -0.185 0.000 2.343 139 V HA -0.264 3.855 4.120 -0.001 0.000 0.247 139 V C 2.196 177.986 176.094 -0.507 0.000 1.051 139 V CA 1.815 63.897 62.300 -0.364 0.000 1.036 139 V CB -0.551 31.029 31.823 -0.405 0.000 0.654 139 V HN 0.340 nan 8.190 nan 0.000 0.451 140 A N -0.654 121.962 122.820 -0.340 0.000 2.121 140 A HA -0.181 4.138 4.320 -0.001 0.000 0.218 140 A C 1.875 179.377 177.584 -0.136 0.000 1.154 140 A CA 1.644 53.519 52.037 -0.270 0.000 0.679 140 A CB -0.399 18.478 19.000 -0.205 0.000 0.795 140 A HN 0.553 nan 8.150 nan 0.000 0.458 141 D N -0.000 120.343 120.400 -0.095 0.000 2.162 141 D HA 0.077 4.716 4.640 -0.001 0.000 0.205 141 D C 2.275 178.619 176.300 0.073 0.000 0.964 141 D CA 1.323 55.317 54.000 -0.010 0.000 0.847 141 D CB -0.380 40.409 40.800 -0.019 0.000 0.988 141 D HN 0.373 nan 8.370 nan 0.000 0.480 142 A N 0.727 123.583 122.820 0.059 0.000 1.877 142 A HA -0.155 4.165 4.320 -0.001 0.000 0.216 142 A C 1.926 179.726 177.584 0.359 0.000 1.186 142 A CA 0.932 53.087 52.037 0.197 0.000 0.620 142 A CB -0.873 18.230 19.000 0.172 0.000 0.822 142 A HN 0.097 nan 8.150 nan 0.000 0.443 143 F N 0.349 120.271 119.950 -0.047 0.000 2.216 143 F HA -0.065 4.461 4.527 -0.002 0.000 0.300 143 F C 2.200 177.897 175.800 -0.172 0.000 1.085 143 F CA 1.243 59.020 58.000 -0.372 0.000 1.326 143 F CB -0.522 38.049 39.000 -0.715 0.000 1.027 143 F HN 0.242 nan 8.300 nan 0.000 0.497 144 K N -1.353 119.166 120.400 0.199 0.000 2.243 144 K HA -0.127 4.192 4.320 -0.001 0.000 0.201 144 K C 1.880 178.626 176.600 0.243 0.000 1.051 144 K CA 0.817 57.238 56.287 0.224 0.000 0.970 144 K CB -0.242 32.323 32.500 0.109 0.000 0.755 144 K HN 0.240 nan 8.250 nan 0.000 0.465 145 H N 1.327 120.494 119.070 0.162 0.000 2.333 145 H HA 0.012 4.567 4.556 -0.001 0.000 0.302 145 H C 1.784 177.225 175.328 0.188 0.000 1.075 145 H CA 1.430 57.565 56.048 0.144 0.000 1.348 145 H CB -0.099 29.733 29.762 0.115 0.000 1.393 145 H HN -0.012 nan 8.280 nan 0.000 0.509 146 L N -0.713 120.618 121.223 0.181 0.000 2.056 146 L HA -0.171 4.168 4.340 -0.001 0.000 0.207 146 L C 2.432 179.422 176.870 0.199 0.000 1.078 146 L CA 1.721 56.651 54.840 0.150 0.000 0.749 146 L CB -0.684 41.570 42.059 0.326 0.000 0.901 146 L HN 0.473 nan 8.230 nan 0.000 0.433 147 H N -0.405 118.831 119.070 0.276 0.000 2.489 147 H HA -0.164 4.391 4.556 -0.002 0.000 0.293 147 H C 2.338 177.703 175.328 0.062 0.000 1.066 147 H CA 1.132 57.306 56.048 0.209 0.000 1.305 147 H CB 0.368 30.322 29.762 0.320 0.000 1.386 147 H HN 0.408 nan 8.280 nan 0.000 0.551 148 Q N -0.368 119.537 119.800 0.176 0.000 1.994 148 Q HA -0.081 4.258 4.340 -0.001 0.000 0.198 148 Q C 2.455 178.457 176.000 0.003 0.000 0.976 148 Q CA 1.411 57.248 55.803 0.057 0.000 0.828 148 Q CB 0.147 28.886 28.738 0.001 0.000 0.894 148 Q HN 0.315 nan 8.270 nan 0.000 0.432 149 S N -0.204 115.444 115.700 -0.087 0.000 2.462 149 S HA -0.122 4.348 4.470 -0.001 0.000 0.243 149 S C 1.363 175.941 174.600 -0.037 0.000 1.003 149 S CA 0.901 59.047 58.200 -0.089 0.000 0.970 149 S CB -0.498 62.607 63.200 -0.159 0.000 0.762 149 S HN 0.718 nan 8.310 nan 0.000 0.510 150 G N 1.610 110.403 108.800 -0.011 0.000 2.155 150 G HA2 -0.355 3.604 3.960 -0.001 0.000 0.257 150 G HA3 -0.355 3.604 3.960 -0.001 0.000 0.257 150 G C 0.629 175.502 174.900 -0.045 0.000 0.983 150 G CA 0.769 45.849 45.100 -0.034 0.000 0.676 150 G HN 0.664 nan 8.290 nan 0.000 0.528 151 K N -0.887 119.495 120.400 -0.030 0.000 2.426 151 K HA 0.487 4.806 4.320 -0.001 0.000 0.193 151 K C 0.312 176.878 176.600 -0.057 0.000 1.028 151 K CA 0.500 56.782 56.287 -0.008 0.000 1.047 151 K CB 0.902 33.402 32.500 -0.000 0.000 0.821 151 K HN 0.384 nan 8.250 nan 0.000 0.513 152 V N 2.156 121.975 119.914 -0.159 0.000 2.610 152 V HA 0.191 4.311 4.120 -0.001 0.000 0.298 152 V C 0.311 176.006 176.094 -0.665 0.000 1.067 152 V CA -0.898 61.171 62.300 -0.386 0.000 0.894 152 V CB 1.724 33.278 31.823 -0.450 0.000 1.015 152 V HN 0.177 nan 8.190 nan 0.000 0.432 153 R N 1.656 121.761 120.500 -0.659 0.000 2.055 153 R HA 0.166 4.505 4.340 -0.001 0.000 0.226 153 R C 0.263 175.733 176.300 -1.384 0.000 1.135 153 R CA 0.844 56.397 56.100 -0.913 0.000 0.959 153 R CB 0.111 30.021 30.300 -0.650 0.000 0.854 153 R HN 0.651 nan 8.270 nan 0.000 0.431 154 H N -1.345 117.218 119.070 -0.845 0.000 2.797 154 H HA 0.370 4.925 4.556 -0.001 0.000 0.372 154 H C -0.998 173.710 175.328 -1.034 0.000 1.168 154 H CA -0.739 54.842 56.048 -0.779 0.000 1.163 154 H CB 1.591 31.114 29.762 -0.399 0.000 1.778 154 H HN -0.130 nan 8.280 nan 0.000 0.551 155 F N -0.654 119.146 119.950 -0.250 0.000 2.577 155 F HA 0.647 5.173 4.527 -0.002 0.000 0.318 155 F C 0.735 176.473 175.800 -0.103 0.000 1.065 155 F CA -0.519 57.294 58.000 -0.311 0.000 0.929 155 F CB 2.414 41.093 39.000 -0.536 0.000 1.237 155 F HN 0.682 nan 8.300 nan 0.000 0.468 156 G N -0.099 108.747 108.800 0.076 0.000 2.682 156 G HA2 0.667 4.626 3.960 -0.001 0.000 0.303 156 G HA3 0.667 4.626 3.960 -0.001 0.000 0.303 156 G C -1.673 173.217 174.900 -0.017 0.000 1.341 156 G CA -0.394 44.741 45.100 0.058 0.000 0.784 156 G HN 0.930 nan 8.290 nan 0.000 0.497 157 V N -3.279 116.553 119.914 -0.136 0.000 3.145 157 V HA 0.973 5.092 4.120 -0.001 0.000 0.311 157 V C -0.346 175.553 176.094 -0.325 0.000 1.238 157 V CA -0.510 61.493 62.300 -0.494 0.000 1.066 157 V CB 1.489 32.594 31.823 -1.197 0.000 1.144 157 V HN 1.596 nan 8.190 nan 0.000 0.465 158 S N 1.318 116.764 115.700 -0.424 0.000 2.652 158 S HA 0.482 4.951 4.470 -0.001 0.000 0.273 158 S C -0.382 174.349 174.600 0.219 0.000 1.172 158 S CA 0.041 58.232 58.200 -0.016 0.000 1.009 158 S CB 0.107 63.309 63.200 0.005 0.000 1.094 158 S HN 1.312 nan 8.310 nan 0.000 0.471 159 N N 2.048 120.945 118.700 0.328 0.000 2.862 159 N HA -0.137 4.602 4.740 -0.001 0.000 0.248 159 N C -0.864 174.939 175.510 0.487 0.000 1.116 159 N CA 0.765 54.052 53.050 0.394 0.000 0.727 159 N CB -1.704 37.009 38.487 0.376 0.000 1.083 159 N HN 0.666 nan 8.380 nan 0.000 0.555 160 F N 1.063 121.119 119.950 0.177 0.000 2.379 160 F HA 0.265 4.791 4.527 -0.002 0.000 0.332 160 F C 1.663 177.553 175.800 0.150 0.000 1.096 160 F CA -0.632 57.470 58.000 0.170 0.000 1.105 160 F CB 1.108 40.262 39.000 0.256 0.000 1.189 160 F HN -0.108 nan 8.300 nan 0.000 0.515 161 T N 0.001 114.680 114.554 0.209 0.000 2.922 161 T HA 0.233 4.582 4.350 -0.001 0.000 0.285 161 T C -2.068 172.728 174.700 0.160 0.000 1.005 161 T CA -2.048 60.135 62.100 0.137 0.000 1.061 161 T CB 1.565 70.473 68.868 0.067 0.000 1.007 161 T HN 0.247 nan 8.240 nan 0.000 0.502 162 P HA -0.165 nan 4.420 nan 0.000 0.218 162 P C 1.375 178.764 177.300 0.149 0.000 1.147 162 P CA 1.546 64.704 63.100 0.098 0.000 0.827 162 P CB -0.162 31.559 31.700 0.034 0.000 0.778 163 A N -0.926 121.955 122.820 0.102 0.000 1.975 163 A HA -0.151 4.168 4.320 -0.001 0.000 0.215 163 A C 2.091 179.714 177.584 0.065 0.000 1.170 163 A CA 1.067 53.148 52.037 0.073 0.000 0.656 163 A CB -0.791 18.227 19.000 0.031 0.000 0.821 163 A HN 0.219 nan 8.150 nan 0.000 0.449 164 Q N -1.947 117.878 119.800 0.041 0.000 2.269 164 Q HA 0.059 4.398 4.340 -0.001 0.000 0.201 164 Q C 1.736 177.816 176.000 0.134 0.000 0.946 164 Q CA 0.975 56.729 55.803 -0.082 0.000 0.877 164 Q CB -0.202 28.289 28.738 -0.412 0.000 0.963 164 Q HN 0.698 nan 8.270 nan 0.000 0.472 165 F N 1.496 121.558 119.950 0.185 0.000 2.146 165 F HA -0.102 4.425 4.527 -0.001 0.000 0.298 165 F C 2.174 178.080 175.800 0.178 0.000 1.096 165 F CA 1.295 59.481 58.000 0.311 0.000 1.275 165 F CB -0.099 39.044 39.000 0.238 0.000 1.008 165 F HN 0.018 nan 8.300 nan 0.000 0.480 166 A N 0.207 123.239 122.820 0.354 0.000 1.930 166 A HA -0.121 4.198 4.320 -0.001 0.000 0.217 166 A C 2.033 179.666 177.584 0.081 0.000 1.175 166 A CA 1.461 53.621 52.037 0.205 0.000 0.627 166 A CB -1.177 17.926 19.000 0.172 0.000 0.815 166 A HN 0.502 nan 8.150 nan 0.000 0.443 167 L N -0.593 120.665 121.223 0.058 0.000 2.012 167 L HA -0.150 4.189 4.340 -0.001 0.000 0.210 167 L C 2.184 179.044 176.870 -0.015 0.000 1.073 167 L CA 2.275 57.118 54.840 0.006 0.000 0.748 167 L CB -0.731 41.315 42.059 -0.021 0.000 0.891 167 L HN 0.326 nan 8.230 nan 0.000 0.431 168 L N -0.417 120.803 121.223 -0.006 0.000 1.973 168 L HA -0.175 4.164 4.340 -0.001 0.000 0.208 168 L C 2.635 179.456 176.870 -0.081 0.000 1.073 168 L CA 2.182 57.000 54.840 -0.036 0.000 0.746 168 L CB -1.242 40.838 42.059 0.035 0.000 0.891 168 L HN 0.533 nan 8.230 nan 0.000 0.433 169 Q N 0.164 119.888 119.800 -0.125 0.000 2.103 169 Q HA -0.306 4.033 4.340 -0.001 0.000 0.213 169 Q C 2.348 178.309 176.000 -0.066 0.000 1.008 169 Q CA 3.021 58.754 55.803 -0.116 0.000 0.879 169 Q CB -0.917 27.765 28.738 -0.094 0.000 0.946 169 Q HN 0.767 nan 8.270 nan 0.000 0.413 170 S N -0.956 114.723 115.700 -0.035 0.000 2.440 170 S HA -0.181 4.288 4.470 -0.001 0.000 0.240 170 S C 1.520 176.081 174.600 -0.065 0.000 1.014 170 S CA 1.208 59.388 58.200 -0.033 0.000 0.980 170 S CB -0.246 62.945 63.200 -0.015 0.000 0.775 170 S HN 0.360 nan 8.310 nan 0.000 0.499 171 R N 0.457 120.902 120.500 -0.091 0.000 2.334 171 R HA 0.451 4.791 4.340 -0.001 0.000 0.216 171 R C 0.068 176.262 176.300 -0.177 0.000 0.905 171 R CA -0.035 55.995 56.100 -0.117 0.000 1.064 171 R CB -0.460 29.770 30.300 -0.117 0.000 1.046 171 R HN 0.454 nan 8.270 nan 0.000 0.508 172 L N 2.826 123.926 121.223 -0.205 0.000 2.309 172 L HA 0.305 4.644 4.340 -0.001 0.000 0.282 172 L C -1.136 175.503 176.870 -0.385 0.000 1.036 172 L CA -1.658 52.959 54.840 -0.373 0.000 0.806 172 L CB 1.858 43.705 42.059 -0.353 0.000 1.220 172 L HN -0.177 nan 8.230 nan 0.000 0.429 173 P HA -0.002 nan 4.420 nan 0.000 0.241 173 P C -0.533 176.656 177.300 -0.185 0.000 1.191 173 P CA 0.622 63.525 63.100 -0.328 0.000 0.771 173 P CB 0.099 31.631 31.700 -0.280 0.000 0.929 174 F N -2.250 117.744 119.950 0.074 0.000 2.576 174 F HA 0.545 5.071 4.527 -0.002 0.000 0.313 174 F C -0.141 175.730 175.800 0.118 0.000 1.078 174 F CA -2.097 55.972 58.000 0.115 0.000 0.921 174 F CB -0.388 38.728 39.000 0.194 0.000 1.232 174 F HN -0.469 nan 8.300 nan 0.000 0.459 175 T N 3.674 118.451 114.554 0.372 0.000 2.905 175 T HA 0.155 4.504 4.350 -0.001 0.000 0.299 175 T C 0.387 175.262 174.700 0.293 0.000 1.024 175 T CA 0.029 62.286 62.100 0.261 0.000 1.151 175 T CB -0.025 68.948 68.868 0.174 0.000 0.987 175 T HN 0.522 nan 8.240 nan 0.000 0.535 176 L N 2.856 124.214 121.223 0.225 0.000 2.462 176 L HA 0.184 4.523 4.340 -0.001 0.000 0.272 176 L C 1.654 178.629 176.870 0.175 0.000 1.166 176 L CA -0.519 54.434 54.840 0.187 0.000 0.880 176 L CB 0.439 42.480 42.059 -0.031 0.000 1.142 176 L HN 0.879 nan 8.230 nan 0.000 0.473 177 A N 2.770 125.650 122.820 0.101 0.000 1.968 177 A HA 0.014 4.333 4.320 -0.001 0.000 0.217 177 A C 1.050 178.640 177.584 0.010 0.000 1.169 177 A CA 1.517 53.544 52.037 -0.017 0.000 0.638 177 A CB 0.053 18.971 19.000 -0.136 0.000 0.812 177 A HN 0.737 nan 8.150 nan 0.000 0.446 178 T N -2.586 112.026 114.554 0.098 0.000 2.661 178 T HA 0.445 4.794 4.350 -0.001 0.000 0.305 178 T C -2.164 172.656 174.700 0.200 0.000 1.441 178 T CA -0.271 61.898 62.100 0.116 0.000 0.999 178 T CB 1.335 70.251 68.868 0.081 0.000 1.650 178 T HN 0.195 nan 8.240 nan 0.000 0.489 179 N N 1.771 120.567 118.700 0.159 0.000 2.824 179 N HA 0.163 4.902 4.740 -0.001 0.000 0.224 179 N C -1.065 174.528 175.510 0.138 0.000 1.418 179 N CA -0.325 52.831 53.050 0.176 0.000 0.743 179 N CB 0.911 39.516 38.487 0.197 0.000 1.395 179 N HN 0.657 nan 8.380 nan 0.000 0.548 180 Q N 2.058 121.940 119.800 0.137 0.000 2.264 180 Q HA 0.212 4.551 4.340 -0.001 0.000 0.296 180 Q C -0.232 175.970 176.000 0.336 0.000 1.103 180 Q CA 0.170 56.098 55.803 0.208 0.000 0.967 180 Q CB 0.312 29.150 28.738 0.168 0.000 1.090 180 Q HN 0.396 nan 8.270 nan 0.000 0.379 181 V N 0.573 120.663 119.914 0.293 0.000 3.156 181 V HA 0.567 4.686 4.120 -0.001 0.000 0.311 181 V C -0.736 175.156 176.094 -0.337 0.000 1.208 181 V CA -1.158 61.247 62.300 0.175 0.000 1.063 181 V CB 1.830 33.707 31.823 0.090 0.000 1.098 181 V HN 0.792 nan 8.190 nan 0.000 0.452 182 E N 0.503 120.280 120.200 -0.705 0.000 2.174 182 E HA 0.669 5.018 4.350 -0.001 0.000 0.282 182 E C -1.469 174.933 176.600 -0.330 0.000 0.992 182 E CA -0.557 55.192 56.400 -1.086 0.000 0.803 182 E CB 1.178 29.933 29.700 -1.575 0.000 1.090 182 E HN 0.671 nan 8.360 nan 0.000 0.396 183 I N 3.455 123.891 120.570 -0.223 0.000 2.571 183 I HA 0.304 4.473 4.170 -0.001 0.000 0.289 183 I C -0.766 175.378 176.117 0.044 0.000 1.115 183 I CA -0.555 60.745 61.300 0.000 0.000 1.045 183 I CB 1.935 39.961 38.000 0.044 0.000 1.238 183 I HN 0.530 nan 8.210 nan 0.000 0.424 184 S N 4.266 120.016 115.700 0.084 0.000 2.611 184 S HA 0.455 4.924 4.470 -0.001 0.000 0.270 184 S C -2.796 171.634 174.600 -0.283 0.000 1.131 184 S CA -0.973 57.200 58.200 -0.044 0.000 0.826 184 S CB 1.947 65.054 63.200 -0.155 0.000 1.095 184 S HN 0.272 nan 8.310 nan 0.000 0.461 185 P HA -0.009 nan 4.420 nan 0.000 0.221 185 P C 1.310 178.279 177.300 -0.552 0.000 1.145 185 P CA 1.300 63.779 63.100 -1.034 0.000 0.795 185 P CB -0.177 30.774 31.700 -1.248 0.000 0.775 186 V N -5.285 114.347 119.914 -0.471 0.000 3.596 186 V HA 0.218 4.337 4.120 -0.001 0.000 0.289 186 V C 0.314 176.343 176.094 -0.109 0.000 1.336 186 V CA 0.282 62.335 62.300 -0.412 0.000 1.137 186 V CB -1.282 30.074 31.823 -0.777 0.000 0.966 186 V HN 0.080 nan 8.190 nan 0.000 0.428 187 H N 0.530 119.483 119.070 -0.195 0.000 3.006 187 H HA 0.428 4.983 4.556 -0.001 0.000 0.304 187 H C 0.097 175.391 175.328 -0.058 0.000 1.403 187 H CA -0.141 55.841 56.048 -0.111 0.000 1.615 187 H CB 0.783 30.451 29.762 -0.157 0.000 1.935 187 H HN 0.314 nan 8.280 nan 0.000 0.626 188 Q N 4.102 123.769 119.800 -0.222 0.000 2.179 188 Q HA 0.146 4.485 4.340 -0.001 0.000 0.213 188 Q C -1.469 174.459 176.000 -0.121 0.000 0.833 188 Q CA -1.165 54.592 55.803 -0.076 0.000 0.990 188 Q CB 0.695 29.471 28.738 0.062 0.000 1.132 188 Q HN 0.524 nan 8.270 nan 0.000 0.493 189 P HA -0.181 nan 4.420 nan 0.000 0.218 189 P C 0.999 178.261 177.300 -0.064 0.000 1.146 189 P CA 0.992 63.996 63.100 -0.160 0.000 0.813 189 P CB 0.203 31.769 31.700 -0.224 0.000 0.778 190 L N -1.667 119.521 121.223 -0.058 0.000 2.291 190 L HA -0.047 4.292 4.340 -0.001 0.000 0.214 190 L C 2.456 179.334 176.870 0.013 0.000 1.120 190 L CA 0.982 55.822 54.840 0.000 0.000 0.799 190 L CB -1.923 40.146 42.059 0.017 0.000 0.925 190 L HN -0.007 nan 8.230 nan 0.000 0.446 191 L N -0.939 120.304 121.223 0.034 0.000 2.191 191 L HA -0.145 4.194 4.340 -0.001 0.000 0.212 191 L C 2.175 179.073 176.870 0.045 0.000 1.103 191 L CA 1.609 56.482 54.840 0.055 0.000 0.769 191 L CB -0.417 41.721 42.059 0.130 0.000 0.908 191 L HN 0.200 nan 8.230 nan 0.000 0.438 192 L N -1.618 119.632 121.223 0.045 0.000 2.854 192 L HA 0.122 4.461 4.340 -0.001 0.000 0.249 192 L C 1.335 178.223 176.870 0.030 0.000 1.091 192 L CA 0.082 54.948 54.840 0.044 0.000 0.935 192 L CB -0.142 41.958 42.059 0.069 0.000 1.367 192 L HN 0.159 nan 8.230 nan 0.000 0.524 193 D N 0.989 121.404 120.400 0.025 0.000 2.390 193 D HA -0.039 4.600 4.640 -0.001 0.000 0.235 193 D C 1.452 177.762 176.300 0.017 0.000 1.040 193 D CA 1.061 55.074 54.000 0.023 0.000 0.923 193 D CB 0.097 40.911 40.800 0.023 0.000 0.886 193 D HN 0.340 nan 8.370 nan 0.000 0.532 194 G N -1.061 107.744 108.800 0.009 0.000 2.217 194 G HA2 -0.334 3.625 3.960 -0.001 0.000 0.246 194 G HA3 -0.334 3.625 3.960 -0.001 0.000 0.246 194 G C 1.222 176.111 174.900 -0.017 0.000 0.990 194 G CA 0.521 45.619 45.100 -0.002 0.000 0.627 194 G HN 0.392 nan 8.290 nan 0.000 0.522 195 T N 0.810 115.357 114.554 -0.011 0.000 2.951 195 T HA 0.186 4.535 4.350 -0.001 0.000 0.268 195 T C 2.298 176.963 174.700 -0.059 0.000 1.073 195 T CA 1.232 63.316 62.100 -0.027 0.000 1.134 195 T CB -0.016 68.858 68.868 0.011 0.000 0.884 195 T HN 0.352 nan 8.240 nan 0.000 0.479 196 L N 0.363 121.559 121.223 -0.045 0.000 2.416 196 L HA 0.097 4.436 4.340 -0.001 0.000 0.216 196 L C 2.063 178.890 176.870 -0.071 0.000 1.098 196 L CA 0.575 55.379 54.840 -0.060 0.000 0.840 196 L CB -0.229 41.802 42.059 -0.047 0.000 0.981 196 L HN 0.139 nan 8.230 nan 0.000 0.462 197 D N 0.170 120.535 120.400 -0.058 0.000 2.123 197 D HA -0.222 4.417 4.640 -0.001 0.000 0.200 197 D C 1.978 178.237 176.300 -0.069 0.000 0.976 197 D CA 1.080 55.047 54.000 -0.055 0.000 0.831 197 D CB 0.091 40.870 40.800 -0.035 0.000 0.974 197 D HN 0.346 nan 8.370 nan 0.000 0.469 198 Q N 0.546 120.294 119.800 -0.087 0.000 2.096 198 Q HA -0.139 4.200 4.340 -0.001 0.000 0.204 198 Q C 2.449 178.355 176.000 -0.157 0.000 0.982 198 Q CA 0.949 56.681 55.803 -0.118 0.000 0.850 198 Q CB -0.075 28.562 28.738 -0.167 0.000 0.901 198 Q HN 0.257 nan 8.270 nan 0.000 0.422 199 L N 0.297 121.410 121.223 -0.185 0.000 2.027 199 L HA -0.215 4.124 4.340 -0.001 0.000 0.206 199 L C 2.822 179.631 176.870 -0.102 0.000 1.074 199 L CA 1.640 56.376 54.840 -0.174 0.000 0.745 199 L CB -0.589 41.376 42.059 -0.158 0.000 0.898 199 L HN 0.425 nan 8.230 nan 0.000 0.433 200 Q N -0.005 119.742 119.800 -0.088 0.000 2.084 200 Q HA -0.295 4.044 4.340 -0.001 0.000 0.202 200 Q C 2.242 178.209 176.000 -0.056 0.000 0.978 200 Q CA 1.822 57.583 55.803 -0.071 0.000 0.844 200 Q CB -0.055 28.638 28.738 -0.074 0.000 0.898 200 Q HN 0.480 nan 8.270 nan 0.000 0.426 201 Q N 0.008 119.776 119.800 -0.053 0.000 2.124 201 Q HA -0.149 4.190 4.340 -0.001 0.000 0.202 201 Q C 1.844 177.831 176.000 -0.021 0.000 0.977 201 Q CA 1.169 56.951 55.803 -0.035 0.000 0.850 201 Q CB 0.028 28.748 28.738 -0.030 0.000 0.901 201 Q HN 0.470 nan 8.270 nan 0.000 0.429 202 L N -0.355 120.853 121.223 -0.025 0.000 2.558 202 L HA 0.133 4.472 4.340 -0.001 0.000 0.225 202 L C 0.446 177.320 176.870 0.006 0.000 1.128 202 L CA 0.185 55.029 54.840 0.008 0.000 0.868 202 L CB 0.095 42.172 42.059 0.031 0.000 1.006 202 L HN 0.195 nan 8.230 nan 0.000 0.454 203 R N -1.070 119.419 120.500 -0.019 0.000 3.654 203 R HA -0.117 4.223 4.340 -0.001 0.000 0.302 203 R C -0.632 175.654 176.300 -0.024 0.000 1.166 203 R CA -0.007 56.078 56.100 -0.025 0.000 0.810 203 R CB -2.210 28.080 30.300 -0.017 0.000 1.323 203 R HN 0.086 nan 8.270 nan 0.000 0.478 204 V N 0.659 120.559 119.914 -0.023 0.000 2.612 204 V HA 0.454 4.573 4.120 -0.001 0.000 0.301 204 V C 0.483 176.555 176.094 -0.037 0.000 1.046 204 V CA -0.597 61.695 62.300 -0.013 0.000 0.946 204 V CB 1.918 33.758 31.823 0.030 0.000 1.003 204 V HN 0.094 nan 8.190 nan 0.000 0.459 205 R N 4.736 125.215 120.500 -0.036 0.000 2.445 205 R HA 0.518 4.857 4.340 -0.001 0.000 0.308 205 R C -2.681 173.614 176.300 -0.009 0.000 0.961 205 R CA -1.924 54.154 56.100 -0.036 0.000 0.862 205 R CB 1.589 31.861 30.300 -0.045 0.000 1.144 205 R HN 0.450 nan 8.270 nan 0.000 0.447 206 P HA 0.228 nan 4.420 nan 0.000 0.290 206 P C -0.821 176.504 177.300 0.041 0.000 1.276 206 P CA -0.445 62.670 63.100 0.025 0.000 0.808 206 P CB 1.243 32.949 31.700 0.009 0.000 0.966 207 M N 2.578 122.229 119.600 0.084 0.000 2.319 207 M HA 0.327 4.806 4.480 -0.001 0.000 0.343 207 M C 0.662 177.035 176.300 0.122 0.000 1.364 207 M CA -0.414 54.944 55.300 0.096 0.000 1.292 207 M CB 0.438 33.113 32.600 0.124 0.000 1.432 207 M HN 0.325 nan 8.290 nan 0.000 0.448 208 A N 5.761 128.623 122.820 0.070 0.000 2.491 208 A HA 0.234 4.553 4.320 -0.001 0.000 0.261 208 A C -0.409 177.254 177.584 0.132 0.000 1.101 208 A CA -0.429 51.642 52.037 0.056 0.000 0.772 208 A CB 0.045 19.051 19.000 0.010 0.000 1.043 208 A HN 0.932 nan 8.150 nan 0.000 0.501 209 W N 0.965 122.280 121.300 0.026 0.000 2.516 209 W HA 0.541 5.201 4.660 -0.001 0.000 0.343 209 W C 0.088 176.617 176.519 0.016 0.000 1.094 209 W CA -0.511 56.843 57.345 0.016 0.000 1.250 209 W CB 0.281 29.733 29.460 -0.014 0.000 1.308 209 W HN 0.894 nan 8.180 nan 0.000 0.588 210 S N 0.342 116.262 115.700 0.366 0.000 3.561 210 S HA -0.236 4.234 4.470 -0.001 0.000 0.318 210 S C 0.735 175.351 174.600 0.027 0.000 1.181 210 S CA 0.801 59.130 58.200 0.215 0.000 0.916 210 S CB -2.028 61.295 63.200 0.205 0.000 0.966 210 S HN 0.628 nan 8.310 nan 0.000 0.550 217 L N -0.521 120.431 121.223 -0.451 0.000 2.249 217 L HA 0.500 4.840 4.340 -0.001 0.000 0.207 217 L C 0.690 177.265 176.870 -0.492 0.000 1.090 217 L CA 1.391 55.835 54.840 -0.659 0.000 0.802 217 L CB -0.060 41.417 42.059 -0.970 0.000 0.947 217 L HN 0.179 nan 8.230 nan 0.000 0.453 218 F N -0.456 119.493 119.950 -0.003 0.000 2.387 218 F HA 0.147 4.673 4.527 -0.002 0.000 0.294 218 F C 2.185 178.015 175.800 0.051 0.000 1.093 218 F CA 0.315 58.327 58.000 0.019 0.000 1.420 218 F CB -1.034 37.967 39.000 0.002 0.000 1.086 218 F HN 0.091 nan 8.300 nan 0.000 0.531 219 N N -0.007 118.810 118.700 0.195 0.000 2.083 219 N HA -0.136 4.603 4.740 -0.001 0.000 0.190 219 N C 0.481 176.078 175.510 0.146 0.000 1.047 219 N CA 0.946 54.087 53.050 0.152 0.000 0.845 219 N CB -0.852 37.709 38.487 0.124 0.000 1.025 219 N HN 0.144 nan 8.380 nan 0.000 0.428 220 D N 1.834 122.341 120.400 0.179 0.000 2.533 220 D HA -0.075 4.565 4.640 -0.001 0.000 0.236 220 D C 0.209 176.642 176.300 0.222 0.000 1.137 220 D CA 0.494 54.635 54.000 0.236 0.000 0.867 220 D CB 0.606 41.682 40.800 0.460 0.000 1.170 220 D HN 0.161 nan 8.370 nan 0.000 0.474 221 D N 2.595 123.071 120.400 0.126 0.000 2.346 221 D HA -0.139 4.500 4.640 -0.001 0.000 0.206 221 D C 1.438 177.756 176.300 0.030 0.000 1.001 221 D CA 0.161 54.211 54.000 0.084 0.000 0.871 221 D CB 0.054 40.888 40.800 0.056 0.000 0.943 221 D HN 0.593 nan 8.370 nan 0.000 0.518 222 Y N 0.650 120.823 120.300 -0.212 0.000 2.651 222 Y HA -0.110 4.439 4.550 -0.001 0.000 0.296 222 Y C 0.533 176.141 175.900 -0.487 0.000 1.150 222 Y CA 0.912 58.782 58.100 -0.383 0.000 1.348 222 Y CB -0.469 37.657 38.460 -0.556 0.000 0.983 222 Y HN -0.193 nan 8.280 nan 0.000 0.555 223 F N 0.329 120.264 119.950 -0.025 0.000 2.983 223 F HA 0.196 4.722 4.527 -0.002 0.000 0.307 223 F C 1.678 177.409 175.800 -0.115 0.000 1.218 223 F CA -0.496 57.429 58.000 -0.125 0.000 1.323 223 F CB 0.213 39.167 39.000 -0.075 0.000 0.989 223 F HN 0.046 nan 8.300 nan 0.000 0.509 224 Q N 1.910 121.704 119.800 -0.009 0.000 2.033 224 Q HA 0.010 4.349 4.340 -0.001 0.000 0.196 224 Q C -0.831 175.151 176.000 -0.029 0.000 0.970 224 Q CA 1.566 57.367 55.803 -0.004 0.000 0.828 224 Q CB -1.122 27.602 28.738 -0.024 0.000 0.895 224 Q HN 0.136 nan 8.270 nan 0.000 0.440 225 P HA -0.169 nan 4.420 nan 0.000 0.216 225 P C 1.155 178.413 177.300 -0.071 0.000 1.150 225 P CA 1.018 64.071 63.100 -0.079 0.000 0.843 225 P CB -0.094 31.533 31.700 -0.121 0.000 0.787 226 L N -0.335 120.848 121.223 -0.066 0.000 2.056 226 L HA -0.084 4.255 4.340 -0.001 0.000 0.207 226 L C 2.207 179.031 176.870 -0.077 0.000 1.078 226 L CA 1.831 56.616 54.840 -0.092 0.000 0.749 226 L CB -0.933 41.078 42.059 -0.080 0.000 0.901 226 L HN -0.198 nan 8.230 nan 0.000 0.433 227 R N -0.409 120.076 120.500 -0.026 0.000 2.148 227 R HA -0.118 4.221 4.340 -0.001 0.000 0.227 227 R C 1.606 177.908 176.300 0.003 0.000 1.103 227 R CA 1.281 57.386 56.100 0.009 0.000 0.983 227 R CB -0.320 30.017 30.300 0.061 0.000 0.874 227 R HN 0.461 nan 8.270 nan 0.000 0.451 228 D N 0.119 120.512 120.400 -0.012 0.000 2.234 228 D HA -0.092 4.547 4.640 -0.001 0.000 0.205 228 D C 1.717 178.007 176.300 -0.017 0.000 0.962 228 D CA 0.802 54.795 54.000 -0.011 0.000 0.855 228 D CB 0.075 40.866 40.800 -0.016 0.000 0.951 228 D HN 0.057 nan 8.370 nan 0.000 0.500 229 E N 0.288 120.468 120.200 -0.034 0.000 2.112 229 E HA 0.024 4.373 4.350 -0.001 0.000 0.190 229 E C 2.366 178.949 176.600 -0.029 0.000 0.979 229 E CA 0.108 56.487 56.400 -0.035 0.000 0.814 229 E CB -0.100 29.565 29.700 -0.059 0.000 0.762 229 E HN 0.312 nan 8.360 nan 0.000 0.460 230 L N 0.361 121.559 121.223 -0.041 0.000 2.083 230 L HA -0.168 4.171 4.340 -0.001 0.000 0.209 230 L C 2.462 179.335 176.870 0.005 0.000 1.083 230 L CA 1.262 56.088 54.840 -0.024 0.000 0.752 230 L CB -0.467 41.578 42.059 -0.023 0.000 0.899 230 L HN 0.054 nan 8.230 nan 0.000 0.433 231 A N -0.653 122.170 122.820 0.006 0.000 1.930 231 A HA -0.101 4.218 4.320 -0.001 0.000 0.217 231 A C 2.242 179.831 177.584 0.009 0.000 1.175 231 A CA 1.399 53.442 52.037 0.010 0.000 0.627 231 A CB -0.586 18.420 19.000 0.009 0.000 0.815 231 A HN 0.210 nan 8.150 nan 0.000 0.443 232 V N -0.610 119.308 119.914 0.006 0.000 2.871 232 V HA -0.106 4.013 4.120 -0.001 0.000 0.256 232 V C 2.222 178.326 176.094 0.017 0.000 1.082 232 V CA 1.515 63.821 62.300 0.010 0.000 1.105 232 V CB 0.122 31.949 31.823 0.007 0.000 0.713 232 V HN 0.358 nan 8.190 nan 0.000 0.473 233 V N -0.216 119.710 119.914 0.020 0.000 3.174 233 V HA 0.082 4.202 4.120 -0.001 0.000 0.254 233 V C 2.497 178.612 176.094 0.035 0.000 1.120 233 V CA 1.176 63.496 62.300 0.033 0.000 1.114 233 V CB -0.090 31.758 31.823 0.042 0.000 0.756 233 V HN 0.493 nan 8.190 nan 0.000 0.467 234 A N 0.748 123.585 122.820 0.028 0.000 1.877 234 A HA -0.257 4.062 4.320 -0.001 0.000 0.216 234 A C 2.161 179.758 177.584 0.022 0.000 1.186 234 A CA 2.098 54.151 52.037 0.027 0.000 0.620 234 A CB -0.462 18.551 19.000 0.021 0.000 0.822 234 A HN 0.599 nan 8.150 nan 0.000 0.443 235 E N 0.319 120.530 120.200 0.018 0.000 2.033 235 E HA -0.268 4.081 4.350 -0.001 0.000 0.199 235 E C 1.826 178.437 176.600 0.019 0.000 1.011 235 E CA 2.047 58.456 56.400 0.015 0.000 0.815 235 E CB -0.344 29.364 29.700 0.013 0.000 0.755 235 E HN 0.710 nan 8.360 nan 0.000 0.451 236 E N -0.026 120.189 120.200 0.024 0.000 2.070 236 E HA -0.200 4.149 4.350 -0.001 0.000 0.197 236 E C 2.192 178.810 176.600 0.030 0.000 1.004 236 E CA 1.555 57.972 56.400 0.028 0.000 0.805 236 E CB -0.202 29.518 29.700 0.034 0.000 0.744 236 E HN 0.385 nan 8.360 nan 0.000 0.451 237 L N 0.352 121.596 121.223 0.034 0.000 2.492 237 L HA 0.039 4.378 4.340 -0.001 0.000 0.223 237 L C 0.421 177.307 176.870 0.028 0.000 1.132 237 L CA -0.154 54.707 54.840 0.036 0.000 0.850 237 L CB -0.219 41.868 42.059 0.047 0.000 0.966 237 L HN 0.187 nan 8.230 nan 0.000 0.454 238 N N 1.090 119.804 118.700 0.023 0.000 2.663 238 N HA -0.135 4.604 4.740 -0.001 0.000 0.263 238 N C -0.467 175.052 175.510 0.015 0.000 1.109 238 N CA 0.730 53.790 53.050 0.016 0.000 0.701 238 N CB -0.353 38.142 38.487 0.013 0.000 0.879 238 N HN 0.356 nan 8.380 nan 0.000 0.550 239 A N -0.214 122.616 122.820 0.017 0.000 2.324 239 A HA 0.748 5.067 4.320 -0.001 0.000 0.330 239 A C 1.421 179.008 177.584 0.004 0.000 1.165 239 A CA 0.160 52.206 52.037 0.016 0.000 0.813 239 A CB 1.028 20.045 19.000 0.028 0.000 1.197 239 A HN 0.371 nan 8.150 nan 0.000 0.484 240 G N 0.734 109.532 108.800 -0.004 0.000 2.432 240 G HA2 0.195 4.154 3.960 -0.001 0.000 0.219 240 G HA3 0.195 4.154 3.960 -0.001 0.000 0.219 240 G C 0.687 175.574 174.900 -0.022 0.000 1.135 240 G CA 1.448 46.538 45.100 -0.016 0.000 0.767 240 G HN 1.504 nan 8.290 nan 0.000 0.550 241 S N -1.299 114.391 115.700 -0.016 0.000 2.638 241 S HA 0.426 4.895 4.470 -0.001 0.000 0.274 241 S C 0.895 175.500 174.600 0.008 0.000 1.157 241 S CA -0.267 57.919 58.200 -0.023 0.000 0.826 241 S CB 1.361 64.530 63.200 -0.053 0.000 1.139 241 S HN 0.406 nan 8.310 nan 0.000 0.474 242 I N -1.854 118.727 120.570 0.019 0.000 2.676 242 I HA 0.038 4.207 4.170 -0.001 0.000 0.259 242 I C 1.573 177.756 176.117 0.111 0.000 1.194 242 I CA 0.971 62.310 61.300 0.065 0.000 1.473 242 I CB -0.639 37.418 38.000 0.095 0.000 1.096 242 I HN 0.648 nan 8.210 nan 0.000 0.443 243 E N 1.419 121.689 120.200 0.117 0.000 2.204 243 E HA -0.185 4.164 4.350 -0.001 0.000 0.194 243 E C 2.170 178.842 176.600 0.120 0.000 0.989 243 E CA 1.031 57.534 56.400 0.171 0.000 0.824 243 E CB -0.197 29.584 29.700 0.134 0.000 0.756 243 E HN 0.629 nan 8.360 nan 0.000 0.477 244 Q N 0.133 119.979 119.800 0.077 0.000 2.167 244 Q HA -0.105 4.234 4.340 -0.001 0.000 0.202 244 Q C 2.231 178.297 176.000 0.111 0.000 0.970 244 Q CA 1.107 56.957 55.803 0.079 0.000 0.855 244 Q CB 0.119 28.882 28.738 0.043 0.000 0.911 244 Q HN 0.192 nan 8.270 nan 0.000 0.438 245 V N 0.029 120.001 119.914 0.097 0.000 2.307 245 V HA -0.220 3.899 4.120 -0.001 0.000 0.245 245 V C 2.230 178.410 176.094 0.144 0.000 1.045 245 V CA 1.314 63.679 62.300 0.108 0.000 1.024 245 V CB -0.454 31.410 31.823 0.068 0.000 0.651 245 V HN 0.167 nan 8.190 nan 0.000 0.449 246 V N 0.618 120.595 119.914 0.105 0.000 2.233 246 V HA -0.286 3.833 4.120 -0.001 0.000 0.247 246 V C 2.373 178.588 176.094 0.202 0.000 1.050 246 V CA 2.320 64.675 62.300 0.092 0.000 1.010 246 V CB -0.927 30.911 31.823 0.025 0.000 0.637 246 V HN 0.560 nan 8.190 nan 0.000 0.444 247 N N 0.444 119.266 118.700 0.203 0.000 2.094 247 N HA -0.186 4.553 4.740 -0.001 0.000 0.191 247 N C 1.795 177.454 175.510 0.248 0.000 1.023 247 N CA 1.865 55.071 53.050 0.260 0.000 0.857 247 N CB -0.368 38.333 38.487 0.356 0.000 1.013 247 N HN 0.536 nan 8.380 nan 0.000 0.426 248 A N -0.592 122.368 122.820 0.234 0.000 2.066 248 A HA -0.095 4.224 4.320 -0.001 0.000 0.218 248 A C 2.080 179.797 177.584 0.222 0.000 1.157 248 A CA 0.555 52.711 52.037 0.198 0.000 0.670 248 A CB -0.780 18.321 19.000 0.169 0.000 0.804 248 A HN 0.515 nan 8.150 nan 0.000 0.453 249 W N 0.317 121.663 121.300 0.076 0.000 2.379 249 W HA -0.136 4.523 4.660 -0.001 0.000 0.307 249 W C 1.896 178.528 176.519 0.188 0.000 1.200 249 W CA 2.104 59.501 57.345 0.086 0.000 1.297 249 W CB -0.192 29.198 29.460 -0.117 0.000 1.140 249 W HN 0.079 nan 8.180 nan 0.000 0.507 250 V N 0.824 120.960 119.914 0.370 0.000 2.307 250 V HA -0.290 3.830 4.120 -0.001 0.000 0.245 250 V C 2.206 178.306 176.094 0.009 0.000 1.045 250 V CA 1.684 64.099 62.300 0.192 0.000 1.024 250 V CB -1.225 30.727 31.823 0.215 0.000 0.651 250 V HN 0.161 nan 8.190 nan 0.000 0.449 251 L N 0.863 122.096 121.223 0.016 0.000 2.187 251 L HA -0.146 4.193 4.340 -0.001 0.000 0.213 251 L C 2.336 179.153 176.870 -0.087 0.000 1.100 251 L CA 2.003 56.805 54.840 -0.063 0.000 0.765 251 L CB -0.632 41.411 42.059 -0.026 0.000 0.904 251 L HN 0.501 nan 8.230 nan 0.000 0.437 252 R N -1.092 119.351 120.500 -0.096 0.000 2.334 252 R HA 0.149 4.488 4.340 -0.001 0.000 0.220 252 R C -0.041 176.061 176.300 -0.329 0.000 0.917 252 R CA 0.075 56.066 56.100 -0.182 0.000 1.073 252 R CB -0.706 29.501 30.300 -0.154 0.000 1.056 252 R HN 0.193 nan 8.270 nan 0.000 0.506 253 L N 2.477 123.519 121.223 -0.302 0.000 2.426 253 L HA 0.226 4.565 4.340 -0.001 0.000 0.271 253 L C -1.099 175.612 176.870 -0.264 0.000 1.169 253 L CA -1.837 52.790 54.840 -0.355 0.000 0.836 253 L CB 0.711 42.622 42.059 -0.247 0.000 1.112 253 L HN 0.094 nan 8.230 nan 0.000 0.465 254 P HA -0.145 nan 4.420 nan 0.000 0.223 254 P C 1.121 178.336 177.300 -0.142 0.000 1.144 254 P CA 1.029 64.013 63.100 -0.194 0.000 0.783 254 P CB 0.187 31.771 31.700 -0.193 0.000 0.771 255 S N -1.640 113.979 115.700 -0.135 0.000 2.527 255 S HA -0.036 4.433 4.470 -0.001 0.000 0.222 255 S C 0.726 175.270 174.600 -0.093 0.000 0.985 255 S CA -0.126 58.013 58.200 -0.103 0.000 0.921 255 S CB -0.922 62.222 63.200 -0.093 0.000 0.772 255 S HN 0.177 nan 8.310 nan 0.000 0.529 256 Q N 1.018 120.754 119.800 -0.107 0.000 2.438 256 Q HA -0.091 4.248 4.340 -0.001 0.000 0.356 256 Q C -2.734 173.213 176.000 -0.088 0.000 1.438 256 Q CA 0.036 55.779 55.803 -0.100 0.000 0.973 256 Q CB -1.460 27.226 28.738 -0.086 0.000 1.151 256 Q HN 0.432 nan 8.270 nan 0.000 0.328 257 P HA 0.206 nan 4.420 nan 0.000 0.276 257 P C -0.421 176.808 177.300 -0.117 0.000 1.252 257 P CA -0.310 62.743 63.100 -0.078 0.000 0.802 257 P CB 0.709 32.370 31.700 -0.065 0.000 1.035 258 L N 2.496 123.666 121.223 -0.087 0.000 2.324 258 L HA 0.385 4.724 4.340 -0.001 0.000 0.274 258 L C -2.399 174.394 176.870 -0.129 0.000 1.012 258 L CA -2.279 52.484 54.840 -0.128 0.000 0.859 258 L CB 1.420 43.477 42.059 -0.003 0.000 1.224 258 L HN 0.122 nan 8.230 nan 0.000 0.429 259 P HA 0.105 nan 4.420 nan 0.000 0.268 259 P C -0.478 176.858 177.300 0.059 0.000 1.205 259 P CA 0.269 63.306 63.100 -0.106 0.000 0.771 259 P CB 0.655 32.249 31.700 -0.177 0.000 0.858 260 I N 4.162 124.808 120.570 0.126 0.000 2.312 260 I HA 0.296 4.465 4.170 -0.001 0.000 0.290 260 I C 0.459 176.678 176.117 0.170 0.000 1.008 260 I CA -0.656 60.729 61.300 0.142 0.000 1.226 260 I CB 0.576 38.659 38.000 0.140 0.000 1.371 260 I HN 0.135 nan 8.210 nan 0.000 0.468 261 I N 5.347 126.012 120.570 0.159 0.000 2.471 261 I HA 0.167 4.337 4.170 -0.001 0.000 0.286 261 I C 1.303 177.479 176.117 0.099 0.000 1.079 261 I CA 0.269 61.644 61.300 0.125 0.000 1.398 261 I CB 1.077 39.113 38.000 0.060 0.000 1.403 261 I HN 0.774 nan 8.210 nan 0.000 0.530 262 G N 3.744 112.624 108.800 0.132 0.000 3.159 262 G HA2 -0.003 3.956 3.960 -0.001 0.000 0.232 262 G HA3 -0.003 3.956 3.960 -0.001 0.000 0.232 262 G C 0.495 175.506 174.900 0.185 0.000 1.116 262 G CA -0.034 45.169 45.100 0.172 0.000 0.767 262 G HN 0.546 nan 8.290 nan 0.000 0.547 263 S N -0.286 115.458 115.700 0.073 0.000 2.580 263 S HA 0.478 4.948 4.470 -0.001 0.000 0.274 263 S C 1.545 175.940 174.600 -0.342 0.000 1.329 263 S CA 0.207 58.378 58.200 -0.048 0.000 1.036 263 S CB 1.392 64.557 63.200 -0.058 0.000 0.919 263 S HN 0.190 nan 8.310 nan 0.000 0.515 264 G N 3.242 111.581 108.800 -0.768 0.000 3.042 264 G HA2 0.145 4.104 3.960 -0.001 0.000 0.212 264 G HA3 0.145 4.104 3.960 -0.001 0.000 0.212 264 G C 0.048 174.439 174.900 -0.849 0.000 1.166 264 G CA -0.228 43.763 45.100 -1.849 0.000 0.767 264 G HN 0.631 nan 8.290 nan 0.000 0.546 265 K N 0.875 121.044 120.400 -0.386 0.000 2.284 265 K HA 0.223 4.542 4.320 -0.001 0.000 0.287 265 K C 0.568 177.145 176.600 -0.039 0.000 1.081 265 K CA -0.591 55.595 56.287 -0.169 0.000 0.910 265 K CB 1.852 34.271 32.500 -0.136 0.000 1.088 265 K HN 0.009 nan 8.250 nan 0.000 0.478 266 I N 3.509 124.124 120.570 0.075 0.000 2.800 266 I HA -0.220 3.949 4.170 -0.001 0.000 0.266 266 I C 1.108 177.197 176.117 -0.047 0.000 1.249 266 I CA 1.654 62.973 61.300 0.031 0.000 1.458 266 I CB -0.047 37.972 38.000 0.032 0.000 1.093 266 I HN 0.575 nan 8.210 nan 0.000 0.466 267 E N -0.028 120.142 120.200 -0.049 0.000 2.112 267 E HA -0.066 4.283 4.350 -0.001 0.000 0.190 267 E C 2.234 178.788 176.600 -0.076 0.000 0.979 267 E CA 0.860 57.223 56.400 -0.061 0.000 0.814 267 E CB -0.170 29.495 29.700 -0.058 0.000 0.762 267 E HN 0.422 nan 8.360 nan 0.000 0.460 268 R N 0.158 120.611 120.500 -0.080 0.000 2.153 268 R HA 0.019 4.358 4.340 -0.001 0.000 0.218 268 R C 2.113 178.356 176.300 -0.094 0.000 1.072 268 R CA 0.542 56.592 56.100 -0.084 0.000 0.990 268 R CB -0.053 30.199 30.300 -0.079 0.000 0.889 268 R HN 0.047 nan 8.270 nan 0.000 0.452 269 V N 1.079 120.932 119.914 -0.101 0.000 2.270 269 V HA -0.258 3.861 4.120 -0.001 0.000 0.245 269 V C 2.483 178.472 176.094 -0.175 0.000 1.043 269 V CA 1.797 64.016 62.300 -0.135 0.000 1.014 269 V CB -0.576 31.158 31.823 -0.148 0.000 0.645 269 V HN 0.308 nan 8.190 nan 0.000 0.447 270 R N 0.373 120.787 120.500 -0.144 0.000 2.091 270 R HA -0.208 4.131 4.340 -0.001 0.000 0.238 270 R C 2.247 178.456 176.300 -0.152 0.000 1.136 270 R CA 1.871 57.886 56.100 -0.141 0.000 0.959 270 R CB -0.452 29.787 30.300 -0.101 0.000 0.856 270 R HN 0.495 nan 8.270 nan 0.000 0.437 271 A N 0.623 123.367 122.820 -0.127 0.000 1.902 271 A HA -0.069 4.250 4.320 -0.001 0.000 0.217 271 A C 2.352 179.853 177.584 -0.139 0.000 1.181 271 A CA 1.615 53.587 52.037 -0.109 0.000 0.623 271 A CB -0.668 18.282 19.000 -0.082 0.000 0.818 271 A HN 0.542 nan 8.150 nan 0.000 0.443 272 A N -0.785 121.927 122.820 -0.180 0.000 1.930 272 A HA 0.019 4.339 4.320 -0.001 0.000 0.217 272 A C 2.190 179.420 177.584 -0.590 0.000 1.175 272 A CA 1.629 53.525 52.037 -0.236 0.000 0.627 272 A CB -0.870 18.024 19.000 -0.176 0.000 0.815 272 A HN 0.380 nan 8.150 nan 0.000 0.443 273 V N 0.072 119.583 119.914 -0.672 0.000 2.594 273 V HA -0.202 3.917 4.120 -0.001 0.000 0.253 273 V C 2.016 177.868 176.094 -0.403 0.000 1.069 273 V CA 2.117 63.919 62.300 -0.830 0.000 1.082 273 V CB -0.595 30.953 31.823 -0.458 0.000 0.680 273 V HN 0.649 nan 8.190 nan 0.000 0.469 274 E N -0.519 119.543 120.200 -0.230 0.000 2.494 274 E HA 0.120 4.469 4.350 -0.001 0.000 0.193 274 E C 1.948 178.529 176.600 -0.031 0.000 1.074 274 E CA 0.476 56.819 56.400 -0.095 0.000 0.867 274 E CB 0.005 29.662 29.700 -0.072 0.000 0.924 274 E HN 0.605 nan 8.360 nan 0.000 0.502 275 A N 0.596 123.403 122.820 -0.022 0.000 2.119 275 A HA -0.152 4.168 4.320 -0.001 0.000 0.217 275 A C 1.727 179.405 177.584 0.157 0.000 1.153 275 A CA 0.749 52.847 52.037 0.101 0.000 0.692 275 A CB -0.047 19.077 19.000 0.206 0.000 0.799 275 A HN 0.193 nan 8.150 nan 0.000 0.458 276 E N -0.175 120.131 120.200 0.177 0.000 2.017 276 E HA -0.184 4.166 4.350 -0.001 0.000 0.193 276 E C 2.267 178.922 176.600 0.093 0.000 0.997 276 E CA 1.893 58.394 56.400 0.169 0.000 0.804 276 E CB -0.557 29.252 29.700 0.180 0.000 0.757 276 E HN 0.793 nan 8.360 nan 0.000 0.448 277 T N 0.579 115.172 114.554 0.064 0.000 2.751 277 T HA -0.220 4.129 4.350 -0.001 0.000 0.268 277 T C 1.058 175.785 174.700 0.045 0.000 1.045 277 T CA 0.677 62.803 62.100 0.043 0.000 1.142 277 T CB -0.805 68.079 68.868 0.027 0.000 0.851 277 T HN -0.017 nan 8.240 nan 0.000 0.474 278 L N 1.467 122.724 121.223 0.056 0.000 2.540 278 L HA 0.163 4.502 4.340 -0.001 0.000 0.276 278 L C 0.551 177.454 176.870 0.055 0.000 1.212 278 L CA 0.378 55.253 54.840 0.057 0.000 0.893 278 L CB 0.193 42.296 42.059 0.073 0.000 1.138 278 L HN 0.247 nan 8.230 nan 0.000 0.491 279 K N 5.090 125.518 120.400 0.047 0.000 2.432 279 K HA 0.326 4.645 4.320 -0.001 0.000 0.226 279 K C -0.368 176.262 176.600 0.049 0.000 1.057 279 K CA -0.222 56.089 56.287 0.040 0.000 1.034 279 K CB 1.094 33.611 32.500 0.030 0.000 1.561 279 K HN 0.534 nan 8.250 nan 0.000 0.492 280 M N 2.647 122.285 119.600 0.063 0.000 2.200 280 M HA 0.069 4.548 4.480 -0.001 0.000 0.355 280 M C 0.144 176.487 176.300 0.073 0.000 1.283 280 M CA 0.192 55.543 55.300 0.085 0.000 1.124 280 M CB 0.656 33.331 32.600 0.125 0.000 1.625 280 M HN 0.479 nan 8.290 nan 0.000 0.463 281 T N 1.644 116.249 114.554 0.086 0.000 2.922 281 T HA 0.315 4.664 4.350 -0.001 0.000 0.285 281 T C 0.931 175.701 174.700 0.117 0.000 1.005 281 T CA -0.769 61.379 62.100 0.080 0.000 1.061 281 T CB 1.452 70.367 68.868 0.079 0.000 1.007 281 T HN 0.914 nan 8.240 nan 0.000 0.502 282 R N 0.592 121.152 120.500 0.100 0.000 2.133 282 R HA -0.201 4.138 4.340 -0.001 0.000 0.245 282 R C 2.608 179.108 176.300 0.332 0.000 1.137 282 R CA 2.232 58.426 56.100 0.156 0.000 0.947 282 R CB -0.436 29.965 30.300 0.167 0.000 0.865 282 R HN 0.793 nan 8.270 nan 0.000 0.437 283 Q N -0.415 119.558 119.800 0.289 0.000 2.234 283 Q HA -0.230 4.110 4.340 -0.001 0.000 0.206 283 Q C 2.115 178.283 176.000 0.281 0.000 0.980 283 Q CA 1.680 57.669 55.803 0.311 0.000 0.869 283 Q CB 0.038 28.886 28.738 0.182 0.000 0.912 283 Q HN 0.585 nan 8.270 nan 0.000 0.436 284 Q N -1.057 118.877 119.800 0.223 0.000 2.172 284 Q HA -0.163 4.176 4.340 -0.001 0.000 0.200 284 Q C 1.589 177.723 176.000 0.223 0.000 0.964 284 Q CA 0.865 56.778 55.803 0.184 0.000 0.855 284 Q CB -0.162 28.665 28.738 0.148 0.000 0.918 284 Q HN 0.429 nan 8.270 nan 0.000 0.444 285 W N 0.352 121.680 121.300 0.047 0.000 2.358 285 W HA -0.151 4.509 4.660 -0.000 0.000 0.303 285 W C 1.260 177.783 176.519 0.005 0.000 1.208 285 W CA 1.372 58.697 57.345 -0.033 0.000 1.274 285 W CB -0.109 29.114 29.460 -0.395 0.000 1.138 285 W HN 0.026 nan 8.180 nan 0.000 0.515 286 F N -0.266 119.954 119.950 0.450 0.000 2.407 286 F HA 0.012 4.539 4.527 -0.001 0.000 0.299 286 F C 2.464 178.322 175.800 0.096 0.000 1.097 286 F CA 1.221 59.397 58.000 0.293 0.000 1.422 286 F CB -0.599 38.566 39.000 0.274 0.000 1.067 286 F HN -0.281 nan 8.300 nan 0.000 0.539 287 R N 0.164 120.804 120.500 0.232 0.000 2.073 287 R HA -0.098 4.241 4.340 -0.001 0.000 0.229 287 R C 2.065 178.363 176.300 -0.004 0.000 1.120 287 R CA 1.050 57.215 56.100 0.109 0.000 0.967 287 R CB -0.141 30.222 30.300 0.104 0.000 0.862 287 R HN 0.141 nan 8.270 nan 0.000 0.436 288 I N 0.444 120.981 120.570 -0.055 0.000 2.353 288 I HA -0.180 3.989 4.170 -0.001 0.000 0.248 288 I C 2.397 178.288 176.117 -0.377 0.000 1.119 288 I CA 1.157 62.316 61.300 -0.235 0.000 1.417 288 I CB -1.107 36.700 38.000 -0.322 0.000 1.078 288 I HN 0.244 nan 8.210 nan 0.000 0.421 289 R N 1.786 122.100 120.500 -0.310 0.000 2.083 289 R HA -0.224 4.115 4.340 -0.001 0.000 0.237 289 R C 2.318 178.481 176.300 -0.229 0.000 1.137 289 R CA 1.938 57.848 56.100 -0.317 0.000 0.951 289 R CB -0.211 29.955 30.300 -0.224 0.000 0.851 289 R HN 0.241 nan 8.270 nan 0.000 0.434 290 K N -0.093 120.235 120.400 -0.120 0.000 2.057 290 K HA -0.078 4.241 4.320 -0.001 0.000 0.206 290 K C 1.904 178.422 176.600 -0.137 0.000 1.050 290 K CA 1.331 57.549 56.287 -0.115 0.000 0.935 290 K CB -0.163 32.327 32.500 -0.017 0.000 0.715 290 K HN 0.289 nan 8.250 nan 0.000 0.439 291 A N 0.662 123.403 122.820 -0.132 0.000 2.070 291 A HA -0.039 4.280 4.320 -0.001 0.000 0.220 291 A C 2.120 179.613 177.584 -0.151 0.000 1.159 291 A CA 1.631 53.591 52.037 -0.128 0.000 0.656 291 A CB -0.462 18.467 19.000 -0.119 0.000 0.800 291 A HN 0.491 nan 8.150 nan 0.000 0.453 292 A N -0.667 122.036 122.820 -0.195 0.000 1.850 292 A HA 0.234 4.554 4.320 -0.001 0.000 0.212 292 A C 1.877 179.408 177.584 -0.088 0.000 1.208 292 A CA 1.278 53.224 52.037 -0.152 0.000 0.609 292 A CB -0.480 18.337 19.000 -0.305 0.000 0.860 292 A HN 0.348 nan 8.150 nan 0.000 0.448 293 L N -1.126 119.981 121.223 -0.194 0.000 2.109 293 L HA 0.178 4.517 4.340 -0.001 0.000 0.207 293 L C 2.134 178.913 176.870 -0.151 0.000 1.086 293 L CA 1.800 56.489 54.840 -0.252 0.000 0.760 293 L CB -0.814 40.825 42.059 -0.699 0.000 0.910 293 L HN 0.713 nan 8.230 nan 0.000 0.437 294 G N -2.025 106.682 108.800 -0.156 0.000 2.213 294 G HA2 -0.288 3.671 3.960 -0.001 0.000 0.236 294 G HA3 -0.288 3.671 3.960 -0.001 0.000 0.236 294 G C 0.200 175.150 174.900 0.084 0.000 0.991 294 G CA 0.182 45.273 45.100 -0.014 0.000 0.629 294 G HN 0.418 nan 8.290 nan 0.000 0.517 295 Y N 0.131 120.446 120.300 0.024 0.000 2.570 295 Y HA 0.810 5.359 4.550 -0.002 0.000 0.345 295 Y C -0.129 175.801 175.900 0.051 0.000 1.014 295 Y CA -1.737 56.382 58.100 0.033 0.000 1.063 295 Y CB 0.916 39.397 38.460 0.035 0.000 1.272 295 Y HN 0.012 nan 8.280 nan 0.000 0.477 296 D N 1.175 121.702 120.400 0.213 0.000 2.384 296 D HA 0.250 4.889 4.640 -0.001 0.000 0.244 296 D C 0.020 176.441 176.300 0.202 0.000 1.251 296 D CA -0.052 54.034 54.000 0.144 0.000 0.961 296 D CB 1.818 42.678 40.800 0.100 0.000 1.116 296 D HN 0.580 nan 8.370 nan 0.000 0.484 297 V N -0.978 119.019 119.914 0.138 0.000 3.051 297 V HA 0.269 4.388 4.120 -0.001 0.000 0.306 297 V C -1.858 174.304 176.094 0.113 0.000 1.083 297 V CA -1.252 61.136 62.300 0.147 0.000 1.104 297 V CB -0.733 31.139 31.823 0.082 0.000 1.027 297 V HN 0.426 nan 8.190 nan 0.000 0.483 298 P HA 0.000 nan 4.420 nan 0.000 0.216 298 P CA 0.000 63.142 63.100 0.071 0.000 0.800 298 P CB 0.000 31.739 31.700 0.065 0.000 0.726