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 1oyh_1_L DATA FIRST_RESID 5 DATA SEQUENCE VDIcTAKPRD IPMNPMcIYR SPXXXXXXXX XXXXXXXEAT NRRVWELSKA DATA SEQUENCE NSRFATTFYQ HLADSKNDND NIFLSPLSIS TAFAMTKLGA cNDTLQQLME DATA SEQUENCE VFKFDTISEK TSDQIHFFFA KLNcRLYRKA NKSSKLVSAN RLFGDKSLTF DATA SEQUENCE NETYQDISEL VYGAKLQPLD FKENAEQSRA AINKWVSNKT EGRITDVIPS DATA SEQUENCE EAINELTVLV LVNTIYFKGL WKSKFSPENT RKELFYKADG EScSASMMYQ DATA SEQUENCE EGKFRYRRVA EGTQVLELPF KGDDITMVLI LPKPEKSLAK VEKELTPEVL DATA SEQUENCE QEWLDELEEM MLVVHMPRFR IEDGFSLKEQ LQDMGLVDLF SPEKSKLPGI DATA SEQUENCE VAEGRDDLYV SDAFHKAFLE VNEEGSEAAA STAVVIAGRS LNPXRVTFKA DATA SEQUENCE NRPFLVFIRE VPLNTIIFMG RVANPc VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 5 V HA 0.000 nan 4.120 nan 0.000 0.244 5 V C 0.000 176.095 176.094 0.002 0.000 1.182 5 V CA 0.000 62.300 62.300 -0.001 0.000 1.235 5 V CB 0.000 31.823 31.823 0.000 0.000 1.184 6 D N 0.005 120.413 120.400 0.013 0.000 2.421 6 D HA 0.440 5.079 4.640 -0.002 0.000 0.254 6 D C 0.594 176.911 176.300 0.029 0.000 1.238 6 D CA -0.358 53.651 54.000 0.015 0.000 0.919 6 D CB 1.421 42.232 40.800 0.018 0.000 1.152 6 D HN 0.631 nan 8.370 nan 0.000 0.552 7 I N 2.433 123.013 120.570 0.017 0.000 2.315 7 I HA -0.289 3.880 4.170 -0.002 0.000 0.251 7 I C 1.410 177.531 176.117 0.006 0.000 1.125 7 I CA 1.196 62.514 61.300 0.031 0.000 1.392 7 I CB 0.171 38.154 38.000 -0.029 0.000 1.065 7 I HN 0.497 nan 8.210 nan 0.000 0.424 8 c N 0.408 119.003 118.600 -0.009 0.000 2.422 8 c HA -0.141 4.428 4.570 -0.002 0.000 0.279 8 c C 2.698 176.805 174.090 0.028 0.000 1.305 8 c CA 1.593 57.914 56.329 -0.013 0.000 1.757 8 c CB -1.389 41.126 42.510 0.007 0.000 1.962 8 c HN 0.576 nan 8.230 nan 0.000 0.499 9 T N 0.944 115.530 114.554 0.052 0.000 2.770 9 T HA 0.127 4.476 4.350 -0.002 0.000 0.258 9 T C 1.361 176.132 174.700 0.118 0.000 1.039 9 T CA 1.023 63.165 62.100 0.071 0.000 1.143 9 T CB -0.445 68.454 68.868 0.053 0.000 0.866 9 T HN 0.634 nan 8.240 nan 0.000 0.428 10 A N 1.675 124.584 122.820 0.149 0.000 2.422 10 A HA 0.475 4.795 4.320 -0.002 0.000 0.278 10 A C 0.578 178.351 177.584 0.315 0.000 1.181 10 A CA 0.703 52.856 52.037 0.193 0.000 0.866 10 A CB -0.394 18.726 19.000 0.201 0.000 1.113 10 A HN 0.624 nan 8.150 nan 0.000 0.523 11 K N -1.252 119.228 120.400 0.133 0.000 2.399 11 K HA 0.690 5.009 4.320 -0.002 0.000 0.260 11 K C -2.402 173.813 176.600 -0.642 0.000 1.049 11 K CA -0.763 55.513 56.287 -0.018 0.000 0.890 11 K CB -0.265 32.238 32.500 0.004 0.000 1.430 11 K HN 0.407 nan 8.250 nan 0.000 0.459 12 P HA -0.296 nan 4.420 nan 0.000 0.206 12 P C 2.077 179.086 177.300 -0.484 0.000 1.142 12 P CA 3.068 65.710 63.100 -0.762 0.000 0.946 12 P CB 0.008 31.530 31.700 -0.297 0.000 0.777 13 R N 0.338 120.685 120.500 -0.255 0.000 2.113 13 R HA -0.258 4.081 4.340 -0.002 0.000 0.244 13 R C 2.008 178.213 176.300 -0.159 0.000 1.142 13 R CA 2.548 58.549 56.100 -0.165 0.000 0.953 13 R CB -2.388 27.853 30.300 -0.098 0.000 0.860 13 R HN 0.338 nan 8.270 nan 0.000 0.438 14 D N 0.175 120.479 120.400 -0.159 0.000 2.380 14 D HA -0.130 4.509 4.640 -0.002 0.000 0.198 14 D C 0.725 176.965 176.300 -0.099 0.000 1.027 14 D CA 1.493 55.431 54.000 -0.103 0.000 0.880 14 D CB -0.358 40.401 40.800 -0.069 0.000 1.064 14 D HN 0.316 nan 8.370 nan 0.000 0.465 15 I N 3.554 124.049 120.570 -0.125 0.000 2.671 15 I HA -0.072 4.097 4.170 -0.002 0.000 0.285 15 I C -0.822 175.238 176.117 -0.096 0.000 1.148 15 I CA -0.864 60.393 61.300 -0.072 0.000 1.386 15 I CB -0.008 37.997 38.000 0.008 0.000 1.406 15 I HN 0.068 nan 8.210 nan 0.000 0.540 16 P HA -0.165 nan 4.420 nan 0.000 0.202 16 P C 0.364 177.627 177.300 -0.062 0.000 1.189 16 P CA 0.502 63.565 63.100 -0.062 0.000 0.921 16 P CB -0.042 31.630 31.700 -0.047 0.000 0.756 17 M N -0.159 119.407 119.600 -0.056 0.000 4.039 17 M HA -0.214 4.265 4.480 -0.002 0.000 0.157 17 M C -1.712 174.558 176.300 -0.050 0.000 1.531 17 M CA 0.895 56.159 55.300 -0.061 0.000 1.095 17 M CB -2.264 30.290 32.600 -0.077 0.000 1.346 17 M HN 0.265 nan 8.290 nan 0.000 0.199 18 N N 3.676 122.353 118.700 -0.038 0.000 2.540 18 N HA 0.829 5.568 4.740 -0.002 0.000 0.275 18 N C -2.982 172.522 175.510 -0.011 0.000 1.053 18 N CA -1.581 51.456 53.050 -0.021 0.000 0.876 18 N CB 1.465 39.943 38.487 -0.015 0.000 1.284 18 N HN 0.464 nan 8.380 nan 0.000 0.518 19 P HA -0.001 nan 4.420 nan 0.000 0.286 19 P C 0.365 177.677 177.300 0.019 0.000 1.278 19 P CA -0.317 62.787 63.100 0.007 0.000 0.785 19 P CB 0.589 32.300 31.700 0.018 0.000 1.269 20 M N -1.432 118.183 119.600 0.024 0.000 2.461 20 M HA 0.179 4.658 4.480 -0.002 0.000 0.255 20 M C -0.895 175.422 176.300 0.028 0.000 1.137 20 M CA 0.631 55.944 55.300 0.021 0.000 1.086 20 M CB 0.347 32.954 32.600 0.012 0.000 1.356 20 M HN 0.186 nan 8.290 nan 0.000 0.487 21 c N 0.283 118.908 118.600 0.041 0.000 3.086 21 c HA 0.692 5.261 4.570 -0.002 0.000 0.311 21 c C -0.863 173.278 174.090 0.085 0.000 1.260 21 c CA -1.241 55.124 56.329 0.059 0.000 1.426 21 c CB 1.642 44.188 42.510 0.059 0.000 1.826 21 c HN 0.281 nan 8.230 nan 0.000 0.474 22 I N 1.374 122.005 120.570 0.103 0.000 2.730 22 I HA 0.543 4.712 4.170 -0.002 0.000 0.298 22 I C -0.930 175.301 176.117 0.189 0.000 1.089 22 I CA -0.437 60.941 61.300 0.130 0.000 1.041 22 I CB 1.472 39.524 38.000 0.086 0.000 1.235 22 I HN 0.701 nan 8.210 nan 0.000 0.423 23 Y N 4.393 124.735 120.300 0.069 0.000 2.446 23 Y HA 0.860 5.409 4.550 -0.002 0.000 0.345 23 Y C -0.273 175.670 175.900 0.072 0.000 0.984 23 Y CA -0.766 57.376 58.100 0.070 0.000 1.058 23 Y CB 1.341 39.850 38.460 0.083 0.000 1.220 23 Y HN 0.652 nan 8.280 nan 0.000 0.455 24 R N 2.439 122.524 120.500 -0.692 0.000 2.561 24 R HA 0.714 5.053 4.340 -0.002 0.000 0.297 24 R C -1.018 174.851 176.300 -0.718 0.000 0.969 24 R CA -0.569 55.240 56.100 -0.484 0.000 0.879 24 R CB 0.884 31.046 30.300 -0.231 0.000 1.178 24 R HN 0.731 nan 8.270 nan 0.000 0.445 25 S N 4.379 119.862 115.700 -0.361 0.000 2.505 25 S HA 0.430 4.899 4.470 -0.002 0.000 0.276 25 S C -1.280 173.257 174.600 -0.106 0.000 1.274 25 S CA -0.768 57.324 58.200 -0.181 0.000 1.053 25 S CB 0.870 64.078 63.200 0.013 0.000 0.919 25 S HN 0.811 nan 8.310 nan 0.000 0.490 43 A N 0.918 123.729 122.820 -0.014 0.000 1.993 43 A HA 0.182 4.501 4.320 -0.002 0.000 0.202 43 A C 1.631 179.171 177.584 -0.073 0.000 1.461 43 A CA 1.178 53.198 52.037 -0.027 0.000 0.824 43 A CB -0.484 18.519 19.000 0.005 0.000 1.024 43 A HN 0.551 nan 8.150 nan 0.000 0.507 44 T N 1.306 115.853 114.554 -0.012 0.000 2.746 44 T HA -0.120 4.229 4.350 -0.002 0.000 0.267 44 T C 1.765 176.428 174.700 -0.062 0.000 1.039 44 T CA 1.561 63.653 62.100 -0.014 0.000 1.142 44 T CB -0.354 68.642 68.868 0.214 0.000 0.866 44 T HN 0.417 nan 8.240 nan 0.000 0.444 45 N N 0.602 119.296 118.700 -0.010 0.000 2.216 45 N HA -0.069 4.670 4.740 -0.002 0.000 0.183 45 N C 2.160 177.675 175.510 0.008 0.000 1.017 45 N CA 0.532 53.585 53.050 0.004 0.000 0.861 45 N CB -0.211 38.276 38.487 0.001 0.000 0.986 45 N HN 0.158 nan 8.380 nan 0.000 0.428 46 R N 1.088 121.571 120.500 -0.029 0.000 2.189 46 R HA 0.120 4.459 4.340 -0.002 0.000 0.218 46 R C 2.106 178.437 176.300 0.052 0.000 1.074 46 R CA 0.862 56.968 56.100 0.010 0.000 0.991 46 R CB -0.337 29.937 30.300 -0.043 0.000 0.883 46 R HN 0.200 nan 8.270 nan 0.000 0.457 47 R N -0.404 120.015 120.500 -0.135 0.000 2.055 47 R HA 0.133 4.472 4.340 -0.002 0.000 0.226 47 R C 2.368 178.543 176.300 -0.207 0.000 1.135 47 R CA 1.805 57.703 56.100 -0.337 0.000 0.959 47 R CB -0.705 28.980 30.300 -1.025 0.000 0.854 47 R HN 0.256 nan 8.270 nan 0.000 0.431 48 V N -0.376 119.455 119.914 -0.139 0.000 2.332 48 V HA -0.269 3.850 4.120 -0.002 0.000 0.248 48 V C 1.816 177.938 176.094 0.046 0.000 1.055 48 V CA 1.897 64.193 62.300 -0.007 0.000 1.038 48 V CB -0.613 31.234 31.823 0.039 0.000 0.651 48 V HN 0.523 nan 8.190 nan 0.000 0.450 49 W N 1.261 122.509 121.300 -0.086 0.000 2.338 49 W HA -0.183 4.475 4.660 -0.002 0.000 0.304 49 W C 2.382 178.867 176.519 -0.057 0.000 1.212 49 W CA 1.997 59.305 57.345 -0.062 0.000 1.264 49 W CB -0.142 29.285 29.460 -0.056 0.000 1.142 49 W HN 0.304 nan 8.180 nan 0.000 0.512 50 E N -0.221 119.996 120.200 0.027 0.000 2.204 50 E HA -0.227 4.122 4.350 -0.002 0.000 0.194 50 E C 1.983 178.489 176.600 -0.156 0.000 0.989 50 E CA 1.214 57.536 56.400 -0.129 0.000 0.824 50 E CB -0.482 29.229 29.700 0.018 0.000 0.756 50 E HN 0.286 nan 8.360 nan 0.000 0.477 51 L N 1.087 122.251 121.223 -0.099 0.000 2.023 51 L HA -0.159 4.180 4.340 -0.002 0.000 0.205 51 L C 2.379 179.149 176.870 -0.167 0.000 1.073 51 L CA 2.202 56.991 54.840 -0.086 0.000 0.745 51 L CB -0.747 41.266 42.059 -0.077 0.000 0.900 51 L HN 0.065 nan 8.230 nan 0.000 0.435 52 S N -0.899 114.682 115.700 -0.198 0.000 2.402 52 S HA -0.274 4.195 4.470 -0.002 0.000 0.233 52 S C 2.001 176.458 174.600 -0.238 0.000 1.030 52 S CA 1.545 59.624 58.200 -0.202 0.000 1.003 52 S CB -0.690 62.401 63.200 -0.180 0.000 0.813 52 S HN 0.570 nan 8.310 nan 0.000 0.477 53 K N 1.482 121.670 120.400 -0.353 0.000 2.057 53 K HA 0.140 4.459 4.320 -0.002 0.000 0.206 53 K C 2.655 179.136 176.600 -0.198 0.000 1.050 53 K CA 1.054 57.134 56.287 -0.346 0.000 0.935 53 K CB -0.564 31.631 32.500 -0.508 0.000 0.715 53 K HN 0.480 nan 8.250 nan 0.000 0.439 54 A N 2.011 124.733 122.820 -0.164 0.000 1.883 54 A HA -0.240 4.079 4.320 -0.002 0.000 0.217 54 A C 1.776 179.309 177.584 -0.085 0.000 1.186 54 A CA 1.924 53.893 52.037 -0.113 0.000 0.624 54 A CB -0.857 18.088 19.000 -0.091 0.000 0.822 54 A HN 0.372 nan 8.150 nan 0.000 0.444 55 N N -0.203 118.446 118.700 -0.084 0.000 2.084 55 N HA -0.124 4.615 4.740 -0.002 0.000 0.190 55 N C 1.952 177.509 175.510 0.078 0.000 1.030 55 N CA 1.405 54.460 53.050 0.007 0.000 0.849 55 N CB -0.153 38.318 38.487 -0.026 0.000 1.012 55 N HN 0.433 nan 8.380 nan 0.000 0.423 56 S N 0.568 116.267 115.700 -0.003 0.000 2.382 56 S HA -0.099 4.370 4.470 -0.002 0.000 0.228 56 S C 1.808 176.407 174.600 -0.002 0.000 1.027 56 S CA 0.792 58.992 58.200 0.002 0.000 0.991 56 S CB -0.116 63.049 63.200 -0.057 0.000 0.823 56 S HN 0.292 nan 8.310 nan 0.000 0.469 57 R N 0.038 120.521 120.500 -0.028 0.000 2.075 57 R HA -0.061 4.278 4.340 -0.002 0.000 0.232 57 R C 2.099 178.386 176.300 -0.021 0.000 1.126 57 R CA 1.344 57.422 56.100 -0.037 0.000 0.963 57 R CB -0.378 29.891 30.300 -0.052 0.000 0.858 57 R HN 0.448 nan 8.270 nan 0.000 0.435 58 F N 1.117 121.005 119.950 -0.105 0.000 2.171 58 F HA -0.132 4.394 4.527 -0.001 0.000 0.300 58 F C 1.921 177.708 175.800 -0.021 0.000 1.090 58 F CA 1.238 59.158 58.000 -0.133 0.000 1.293 58 F CB -0.412 38.449 39.000 -0.231 0.000 1.013 58 F HN 0.080 nan 8.300 nan 0.000 0.486 59 A N 0.303 123.086 122.820 -0.061 0.000 1.851 59 A HA -0.239 4.080 4.320 -0.002 0.000 0.216 59 A C 2.330 179.909 177.584 -0.009 0.000 1.195 59 A CA 2.937 54.958 52.037 -0.026 0.000 0.622 59 A CB -1.697 17.365 19.000 0.104 0.000 0.831 59 A HN 0.528 nan 8.150 nan 0.000 0.444 60 T N -3.173 111.391 114.554 0.016 0.000 2.788 60 T HA -0.129 4.220 4.350 -0.002 0.000 0.268 60 T C 1.786 176.496 174.700 0.017 0.000 1.044 60 T CA 2.094 64.230 62.100 0.060 0.000 1.139 60 T CB -1.039 67.847 68.868 0.029 0.000 0.867 60 T HN 0.346 nan 8.240 nan 0.000 0.454 61 T N 1.365 115.866 114.554 -0.087 0.000 2.737 61 T HA 0.046 4.395 4.350 -0.002 0.000 0.265 61 T C 1.342 175.969 174.700 -0.121 0.000 1.038 61 T CA 1.249 63.287 62.100 -0.103 0.000 1.144 61 T CB -0.617 68.187 68.868 -0.106 0.000 0.866 61 T HN 0.419 nan 8.240 nan 0.000 0.434 62 F N 0.935 120.606 119.950 -0.466 0.000 2.102 62 F HA -0.124 4.402 4.527 -0.002 0.000 0.298 62 F C 2.167 177.817 175.800 -0.250 0.000 1.105 62 F CA 0.942 58.656 58.000 -0.476 0.000 1.239 62 F CB -0.599 37.871 39.000 -0.883 0.000 0.991 62 F HN 0.161 nan 8.300 nan 0.000 0.474 63 Y N 1.400 121.591 120.300 -0.180 0.000 2.114 63 Y HA -0.342 4.207 4.550 -0.002 0.000 0.282 63 Y C 2.503 178.245 175.900 -0.263 0.000 1.165 63 Y CA 2.489 60.482 58.100 -0.179 0.000 1.148 63 Y CB -0.753 37.664 38.460 -0.072 0.000 0.972 63 Y HN 0.254 nan 8.280 nan 0.000 0.504 64 Q N -1.412 118.270 119.800 -0.197 0.000 2.084 64 Q HA -0.223 4.116 4.340 -0.002 0.000 0.202 64 Q C 2.103 177.839 176.000 -0.439 0.000 0.978 64 Q CA 1.472 57.113 55.803 -0.271 0.000 0.844 64 Q CB -0.332 28.284 28.738 -0.203 0.000 0.898 64 Q HN 0.630 nan 8.270 nan 0.000 0.426 65 H N -0.075 118.741 119.070 -0.423 0.000 2.423 65 H HA -0.077 4.478 4.556 -0.001 0.000 0.297 65 H C 2.060 177.055 175.328 -0.556 0.000 1.075 65 H CA 0.970 56.756 56.048 -0.437 0.000 1.342 65 H CB 0.192 29.693 29.762 -0.436 0.000 1.395 65 H HN 0.154 nan 8.280 nan 0.000 0.530 66 L N 0.596 121.406 121.223 -0.688 0.000 2.072 66 L HA 0.026 4.365 4.340 -0.002 0.000 0.205 66 L C 2.508 179.025 176.870 -0.588 0.000 1.079 66 L CA 1.543 55.928 54.840 -0.757 0.000 0.752 66 L CB -0.585 40.876 42.059 -0.997 0.000 0.906 66 L HN 0.112 nan 8.230 nan 0.000 0.436 67 A N -1.075 121.361 122.820 -0.640 0.000 1.897 67 A HA -0.210 4.110 4.320 -0.002 0.000 0.215 67 A C 2.027 179.430 177.584 -0.302 0.000 1.181 67 A CA 1.574 53.320 52.037 -0.484 0.000 0.620 67 A CB -0.896 17.784 19.000 -0.533 0.000 0.821 67 A HN 0.464 nan 8.150 nan 0.000 0.443 68 D N -0.002 120.223 120.400 -0.291 0.000 2.354 68 D HA -0.086 4.554 4.640 -0.002 0.000 0.216 68 D C 1.197 177.391 176.300 -0.176 0.000 0.970 68 D CA 1.338 55.213 54.000 -0.209 0.000 0.905 68 D CB -0.028 40.635 40.800 -0.228 0.000 0.903 68 D HN 0.458 nan 8.370 nan 0.000 0.508 69 S N -1.289 114.286 115.700 -0.209 0.000 2.457 69 S HA 0.393 4.862 4.470 -0.002 0.000 0.237 69 S C 0.110 174.607 174.600 -0.172 0.000 1.213 69 S CA -0.762 57.337 58.200 -0.170 0.000 1.218 69 S CB 0.451 63.544 63.200 -0.180 0.000 0.922 69 S HN -0.053 nan 8.310 nan 0.000 0.488 70 K N 0.809 121.115 120.400 -0.156 0.000 2.571 70 K HA 0.286 4.605 4.320 -0.002 0.000 0.289 70 K C -1.508 175.036 176.600 -0.093 0.000 1.028 70 K CA -0.703 55.504 56.287 -0.132 0.000 0.895 70 K CB 1.494 33.887 32.500 -0.177 0.000 1.534 70 K HN 0.339 nan 8.250 nan 0.000 0.421 71 N N 1.101 119.761 118.700 -0.066 0.000 2.411 71 N HA 0.001 4.740 4.740 -0.002 0.000 0.259 71 N C -0.294 175.194 175.510 -0.036 0.000 1.103 71 N CA -0.135 52.891 53.050 -0.041 0.000 0.954 71 N CB 0.731 39.204 38.487 -0.023 0.000 1.085 71 N HN 0.409 nan 8.380 nan 0.000 0.485 72 D N 2.039 122.422 120.400 -0.028 0.000 2.280 72 D HA -0.153 4.486 4.640 -0.002 0.000 0.206 72 D C 0.373 176.676 176.300 0.004 0.000 0.988 72 D CA 1.223 55.215 54.000 -0.013 0.000 0.886 72 D CB 0.123 40.921 40.800 -0.004 0.000 0.914 72 D HN 0.534 nan 8.370 nan 0.000 0.473 73 N N 0.507 119.212 118.700 0.008 0.000 2.251 73 N HA -0.005 4.735 4.740 -0.002 0.000 0.217 73 N C -0.481 175.037 175.510 0.014 0.000 1.124 73 N CA 0.045 53.111 53.050 0.026 0.000 0.843 73 N CB 0.630 39.142 38.487 0.043 0.000 1.024 73 N HN 0.134 nan 8.380 nan 0.000 0.501 74 D N 0.626 121.023 120.400 -0.005 0.000 2.175 74 D HA 0.203 4.842 4.640 -0.002 0.000 0.248 74 D C -0.045 176.247 176.300 -0.014 0.000 1.047 74 D CA -0.308 53.686 54.000 -0.011 0.000 0.883 74 D CB 1.058 41.846 40.800 -0.020 0.000 1.180 74 D HN -0.079 nan 8.370 nan 0.000 0.438 75 N N 1.255 119.950 118.700 -0.009 0.000 2.415 75 N HA 0.306 5.045 4.740 -0.002 0.000 0.248 75 N C -0.314 175.230 175.510 0.055 0.000 1.271 75 N CA 0.327 53.380 53.050 0.004 0.000 0.913 75 N CB 0.732 39.224 38.487 0.008 0.000 1.129 75 N HN 0.381 nan 8.380 nan 0.000 0.444 76 I N 1.055 121.696 120.570 0.117 0.000 2.680 76 I HA 0.348 4.517 4.170 -0.002 0.000 0.291 76 I C -1.487 174.854 176.117 0.373 0.000 1.244 76 I CA -0.597 60.814 61.300 0.184 0.000 1.042 76 I CB 1.719 39.778 38.000 0.099 0.000 1.277 76 I HN 0.290 nan 8.210 nan 0.000 0.423 77 F N 7.658 127.765 119.950 0.263 0.000 2.665 77 F HA 0.816 5.343 4.527 -0.001 0.000 0.308 77 F C -1.773 174.313 175.800 0.476 0.000 1.112 77 F CA -0.592 57.588 58.000 0.301 0.000 0.972 77 F CB 1.733 40.860 39.000 0.211 0.000 1.295 77 F HN 0.352 nan 8.300 nan 0.000 0.440 78 L N 1.296 122.350 121.223 -0.282 0.000 3.079 78 L HA 0.700 5.040 4.340 -0.002 0.000 0.278 78 L C -1.770 175.106 176.870 0.011 0.000 1.026 78 L CA -0.851 54.087 54.840 0.164 0.000 0.963 78 L CB 1.617 43.882 42.059 0.344 0.000 1.526 78 L HN 0.520 nan 8.230 nan 0.000 0.397 79 S N 0.808 116.656 115.700 0.247 0.000 2.667 79 S HA 0.584 5.053 4.470 -0.002 0.000 0.304 79 S C -1.868 172.715 174.600 -0.029 0.000 1.135 79 S CA -1.251 56.928 58.200 -0.034 0.000 1.125 79 S CB 1.084 64.207 63.200 -0.128 0.000 0.996 79 S HN 0.649 nan 8.310 nan 0.000 0.474 80 P HA -0.087 nan 4.420 nan 0.000 0.221 80 P C 1.600 178.985 177.300 0.142 0.000 1.150 80 P CA 0.388 63.530 63.100 0.070 0.000 0.800 80 P CB 0.124 31.901 31.700 0.129 0.000 0.787 81 L N 0.551 121.824 121.223 0.083 0.000 2.046 81 L HA -0.093 4.246 4.340 -0.002 0.000 0.208 81 L C 2.685 179.671 176.870 0.193 0.000 1.077 81 L CA 2.125 57.054 54.840 0.149 0.000 0.747 81 L CB -1.700 40.409 42.059 0.084 0.000 0.896 81 L HN -0.075 nan 8.230 nan 0.000 0.432 82 S N -0.632 115.148 115.700 0.133 0.000 2.370 82 S HA -0.195 4.274 4.470 -0.002 0.000 0.226 82 S C 2.036 176.752 174.600 0.192 0.000 1.033 82 S CA 1.840 60.147 58.200 0.177 0.000 1.011 82 S CB -0.478 62.876 63.200 0.257 0.000 0.852 82 S HN 0.518 nan 8.310 nan 0.000 0.457 83 I N 0.771 121.443 120.570 0.171 0.000 2.252 83 I HA -0.108 4.061 4.170 -0.002 0.000 0.245 83 I C 2.629 178.866 176.117 0.200 0.000 1.102 83 I CA 1.074 62.489 61.300 0.193 0.000 1.385 83 I CB -0.497 37.516 38.000 0.021 0.000 1.064 83 I HN 0.266 nan 8.210 nan 0.000 0.414 84 S N 0.292 116.096 115.700 0.173 0.000 2.383 84 S HA -0.176 4.293 4.470 -0.002 0.000 0.229 84 S C 2.055 176.762 174.600 0.179 0.000 1.030 84 S CA 1.976 60.273 58.200 0.161 0.000 1.002 84 S CB -0.361 63.051 63.200 0.353 0.000 0.829 84 S HN 0.476 nan 8.310 nan 0.000 0.467 85 T N 2.390 117.026 114.554 0.137 0.000 2.674 85 T HA -0.059 4.290 4.350 -0.002 0.000 0.265 85 T C 2.183 176.654 174.700 -0.382 0.000 1.039 85 T CA 1.297 63.242 62.100 -0.258 0.000 1.150 85 T CB -0.609 68.181 68.868 -0.130 0.000 0.864 85 T HN 0.465 nan 8.240 nan 0.000 0.427 86 A N 0.898 123.612 122.820 -0.177 0.000 1.908 86 A HA -0.037 4.282 4.320 -0.002 0.000 0.218 86 A C 1.952 179.303 177.584 -0.390 0.000 1.181 86 A CA 1.452 53.342 52.037 -0.245 0.000 0.627 86 A CB -1.026 17.915 19.000 -0.098 0.000 0.818 86 A HN 0.476 nan 8.150 nan 0.000 0.445 87 F N -0.261 119.459 119.950 -0.383 0.000 2.502 87 F HA 0.097 4.623 4.527 -0.002 0.000 0.298 87 F C 2.546 178.081 175.800 -0.442 0.000 1.111 87 F CA 0.602 58.308 58.000 -0.490 0.000 1.445 87 F CB -0.141 38.293 39.000 -0.944 0.000 1.081 87 F HN 0.266 nan 8.300 nan 0.000 0.558 88 A N -0.455 122.178 122.820 -0.312 0.000 1.970 88 A HA -0.088 4.231 4.320 -0.002 0.000 0.216 88 A C 2.181 179.578 177.584 -0.313 0.000 1.170 88 A CA 0.948 52.796 52.037 -0.315 0.000 0.645 88 A CB -0.511 18.220 19.000 -0.448 0.000 0.816 88 A HN 0.286 nan 8.150 nan 0.000 0.447 89 M N -0.671 118.572 119.600 -0.595 0.000 2.117 89 M HA -0.120 4.359 4.480 -0.002 0.000 0.262 89 M C 2.181 178.354 176.300 -0.211 0.000 1.065 89 M CA 1.940 56.929 55.300 -0.518 0.000 1.114 89 M CB -0.721 31.539 32.600 -0.568 0.000 1.361 89 M HN 0.376 nan 8.290 nan 0.000 0.408 90 T N 0.320 114.720 114.554 -0.257 0.000 2.746 90 T HA -0.155 4.194 4.350 -0.002 0.000 0.267 90 T C 1.795 176.435 174.700 -0.100 0.000 1.039 90 T CA 1.115 63.093 62.100 -0.204 0.000 1.142 90 T CB -0.231 68.417 68.868 -0.367 0.000 0.866 90 T HN 0.326 nan 8.240 nan 0.000 0.444 91 K N 0.819 121.179 120.400 -0.067 0.000 2.281 91 K HA -0.009 4.310 4.320 -0.002 0.000 0.203 91 K C 2.047 178.684 176.600 0.062 0.000 1.046 91 K CA 0.779 57.082 56.287 0.028 0.000 0.938 91 K CB -0.336 32.210 32.500 0.076 0.000 0.737 91 K HN 0.368 nan 8.250 nan 0.000 0.458 92 L N -0.639 120.604 121.223 0.032 0.000 2.353 92 L HA -0.128 4.211 4.340 -0.002 0.000 0.220 92 L C 1.879 178.797 176.870 0.081 0.000 1.133 92 L CA 1.216 56.045 54.840 -0.018 0.000 0.798 92 L CB -0.145 41.893 42.059 -0.036 0.000 0.922 92 L HN 0.291 nan 8.230 nan 0.000 0.445 93 G N -1.350 107.472 108.800 0.036 0.000 3.377 93 G HA2 0.431 4.390 3.960 -0.002 0.000 0.257 93 G HA3 0.431 4.390 3.960 -0.002 0.000 0.257 93 G C 0.409 175.267 174.900 -0.070 0.000 1.038 93 G CA 0.371 45.426 45.100 -0.074 0.000 0.809 93 G HN 0.262 nan 8.290 nan 0.000 0.526 94 A N -0.578 122.224 122.820 -0.029 0.000 2.287 94 A HA 0.704 5.023 4.320 -0.002 0.000 0.273 94 A C -0.313 177.273 177.584 0.004 0.000 1.091 94 A CA -0.301 51.724 52.037 -0.020 0.000 0.817 94 A CB 0.928 19.923 19.000 -0.007 0.000 1.069 94 A HN 0.631 nan 8.150 nan 0.000 0.492 95 c N 0.228 118.830 118.600 0.003 0.000 3.311 95 c HA 0.613 5.182 4.570 -0.002 0.000 0.325 95 c C 0.609 174.708 174.090 0.015 0.000 1.352 95 c CA 0.092 56.432 56.329 0.018 0.000 1.308 95 c CB 0.021 42.538 42.510 0.013 0.000 1.619 95 c HN 1.273 nan 8.230 nan 0.000 0.469 96 N N 1.200 119.918 118.700 0.031 0.000 1.222 96 N HA -0.248 4.491 4.740 -0.002 0.000 0.134 96 N C 0.048 175.556 175.510 -0.002 0.000 0.787 96 N CA 1.909 54.977 53.050 0.029 0.000 0.929 96 N CB -0.834 37.667 38.487 0.024 0.000 1.170 96 N HN 0.857 nan 8.380 nan 0.000 0.541 97 D N -0.520 119.877 120.400 -0.005 0.000 2.117 97 D HA -0.005 4.634 4.640 -0.002 0.000 0.198 97 D C 1.751 178.030 176.300 -0.036 0.000 0.982 97 D CA 1.771 55.756 54.000 -0.025 0.000 0.828 97 D CB -0.567 40.232 40.800 -0.001 0.000 0.967 97 D HN 0.417 nan 8.370 nan 0.000 0.464 98 T N 1.092 115.637 114.554 -0.014 0.000 2.665 98 T HA -0.188 4.161 4.350 -0.002 0.000 0.268 98 T C 1.853 176.544 174.700 -0.015 0.000 1.035 98 T CA 0.846 62.940 62.100 -0.010 0.000 1.151 98 T CB -0.398 68.463 68.868 -0.012 0.000 0.862 98 T HN 0.048 nan 8.240 nan 0.000 0.438 99 L N 1.171 122.380 121.223 -0.023 0.000 1.976 99 L HA -0.108 4.231 4.340 -0.002 0.000 0.209 99 L C 2.664 179.474 176.870 -0.100 0.000 1.071 99 L CA 2.054 56.884 54.840 -0.016 0.000 0.746 99 L CB -0.982 41.086 42.059 0.015 0.000 0.890 99 L HN 0.298 nan 8.230 nan 0.000 0.432 100 Q N -0.872 118.760 119.800 -0.280 0.000 2.045 100 Q HA -0.320 4.019 4.340 -0.002 0.000 0.206 100 Q C 2.226 178.063 176.000 -0.271 0.000 0.991 100 Q CA 2.434 57.855 55.803 -0.638 0.000 0.851 100 Q CB -0.301 27.982 28.738 -0.758 0.000 0.911 100 Q HN 0.686 nan 8.270 nan 0.000 0.418 101 Q N -0.058 119.672 119.800 -0.117 0.000 2.181 101 Q HA -0.133 4.206 4.340 -0.002 0.000 0.205 101 Q C 2.128 178.180 176.000 0.087 0.000 0.980 101 Q CA 1.345 57.145 55.803 -0.006 0.000 0.862 101 Q CB -0.020 28.732 28.738 0.023 0.000 0.905 101 Q HN 0.462 nan 8.270 nan 0.000 0.429 102 L N -0.568 120.725 121.223 0.117 0.000 2.240 102 L HA -0.093 4.247 4.340 -0.002 0.000 0.211 102 L C 2.185 179.268 176.870 0.355 0.000 1.106 102 L CA 0.358 55.356 54.840 0.263 0.000 0.793 102 L CB -0.177 41.999 42.059 0.195 0.000 0.927 102 L HN 0.343 nan 8.230 nan 0.000 0.446 103 M N -0.677 119.063 119.600 0.234 0.000 2.254 103 M HA -0.102 4.377 4.480 -0.002 0.000 0.265 103 M C 1.889 178.324 176.300 0.224 0.000 1.066 103 M CA 1.539 57.023 55.300 0.307 0.000 1.123 103 M CB -0.578 32.156 32.600 0.223 0.000 1.388 103 M HN 0.285 nan 8.290 nan 0.000 0.425 104 E N -0.454 119.822 120.200 0.126 0.000 2.102 104 E HA -0.028 4.321 4.350 -0.002 0.000 0.190 104 E C 2.141 178.766 176.600 0.041 0.000 0.971 104 E CA 0.537 56.989 56.400 0.085 0.000 0.821 104 E CB 0.137 29.871 29.700 0.058 0.000 0.777 104 E HN 0.179 nan 8.360 nan 0.000 0.460 105 V N 0.776 120.716 119.914 0.043 0.000 2.407 105 V HA -0.196 3.923 4.120 -0.002 0.000 0.248 105 V C 1.436 177.387 176.094 -0.238 0.000 1.055 105 V CA 1.558 63.820 62.300 -0.064 0.000 1.049 105 V CB -0.350 31.434 31.823 -0.065 0.000 0.662 105 V HN 0.190 nan 8.190 nan 0.000 0.455 106 F N -0.131 119.676 119.950 -0.237 0.000 2.693 106 F HA 0.163 4.689 4.527 -0.002 0.000 0.303 106 F C 1.430 176.833 175.800 -0.661 0.000 1.097 106 F CA -0.109 57.507 58.000 -0.640 0.000 1.330 106 F CB -0.426 37.906 39.000 -1.113 0.000 1.067 106 F HN -0.083 nan 8.300 nan 0.000 0.565 107 K N -1.157 119.129 120.400 -0.190 0.000 3.130 107 K HA -0.262 4.057 4.320 -0.002 0.000 0.282 107 K C 0.805 177.371 176.600 -0.057 0.000 1.145 107 K CA 1.031 57.260 56.287 -0.097 0.000 0.831 107 K CB -3.067 29.385 32.500 -0.080 0.000 1.226 107 K HN 0.432 nan 8.250 nan 0.000 0.478 108 F N 1.667 121.694 119.950 0.128 0.000 2.365 108 F HA -0.031 4.495 4.527 -0.002 0.000 0.300 108 F C 2.231 178.098 175.800 0.112 0.000 1.090 108 F CA 1.264 59.326 58.000 0.103 0.000 1.408 108 F CB -0.201 38.863 39.000 0.105 0.000 1.060 108 F HN 0.490 nan 8.300 nan 0.000 0.534 109 D N -0.412 120.156 120.400 0.281 0.000 2.323 109 D HA -0.069 4.570 4.640 -0.002 0.000 0.239 109 D C 1.278 177.672 176.300 0.157 0.000 1.129 109 D CA 1.003 55.147 54.000 0.240 0.000 0.865 109 D CB -0.916 40.053 40.800 0.282 0.000 0.913 109 D HN 0.366 nan 8.370 nan 0.000 0.517 110 T N -2.324 112.303 114.554 0.121 0.000 3.092 110 T HA 0.270 4.619 4.350 -0.002 0.000 0.258 110 T C 1.044 175.785 174.700 0.068 0.000 1.031 110 T CA -0.511 61.631 62.100 0.070 0.000 0.925 110 T CB -0.121 68.762 68.868 0.025 0.000 1.036 110 T HN 0.059 nan 8.240 nan 0.000 0.544 111 I N 1.315 121.948 120.570 0.105 0.000 2.713 111 I HA 0.279 4.449 4.170 -0.002 0.000 0.300 111 I C 1.821 177.993 176.117 0.092 0.000 1.009 111 I CA -0.577 60.782 61.300 0.098 0.000 1.305 111 I CB 1.350 39.441 38.000 0.151 0.000 1.430 111 I HN 0.101 nan 8.210 nan 0.000 0.546 112 S N 2.929 118.672 115.700 0.071 0.000 2.345 112 S HA -0.125 4.344 4.470 -0.002 0.000 0.220 112 S C 1.166 175.819 174.600 0.087 0.000 1.031 112 S CA 1.278 59.517 58.200 0.066 0.000 0.996 112 S CB -0.322 62.903 63.200 0.042 0.000 0.882 112 S HN 0.747 nan 8.310 nan 0.000 0.445 113 E N 0.921 121.199 120.200 0.130 0.000 2.652 113 E HA 0.268 4.617 4.350 -0.002 0.000 0.255 113 E C 0.706 177.380 176.600 0.123 0.000 0.952 113 E CA 0.707 57.204 56.400 0.162 0.000 0.947 113 E CB -0.813 29.063 29.700 0.294 0.000 0.912 113 E HN 0.716 nan 8.360 nan 0.000 0.489 114 K N 1.462 121.909 120.400 0.080 0.000 2.525 114 K HA 0.173 4.492 4.320 -0.002 0.000 0.192 114 K C 1.091 177.712 176.600 0.036 0.000 1.029 114 K CA 1.177 57.488 56.287 0.041 0.000 1.029 114 K CB -0.557 31.950 32.500 0.010 0.000 0.814 114 K HN 1.026 nan 8.250 nan 0.000 0.503 115 T N -3.273 111.326 114.554 0.076 0.000 2.807 115 T HA 0.428 4.777 4.350 -0.002 0.000 0.279 115 T C 1.028 175.802 174.700 0.125 0.000 0.993 115 T CA -0.035 62.114 62.100 0.082 0.000 0.970 115 T CB 1.896 70.803 68.868 0.064 0.000 0.950 115 T HN 0.033 nan 8.240 nan 0.000 0.441 116 S N 2.494 118.289 115.700 0.157 0.000 2.389 116 S HA -0.243 4.226 4.470 -0.002 0.000 0.229 116 S C 1.995 176.702 174.600 0.179 0.000 1.048 116 S CA 2.063 60.374 58.200 0.185 0.000 1.117 116 S CB -0.584 62.750 63.200 0.224 0.000 1.020 116 S HN 1.001 nan 8.310 nan 0.000 0.430 117 D N 1.452 121.969 120.400 0.194 0.000 2.239 117 D HA -0.210 4.430 4.640 -0.002 0.000 0.202 117 D C 2.061 178.463 176.300 0.170 0.000 0.993 117 D CA 1.781 55.919 54.000 0.230 0.000 0.874 117 D CB -0.839 40.019 40.800 0.097 0.000 0.922 117 D HN 0.608 nan 8.370 nan 0.000 0.464 118 Q N 1.044 120.897 119.800 0.089 0.000 2.030 118 Q HA -0.121 4.218 4.340 -0.002 0.000 0.204 118 Q C 2.531 178.494 176.000 -0.061 0.000 0.986 118 Q CA 1.804 57.612 55.803 0.008 0.000 0.843 118 Q CB -1.148 27.669 28.738 0.131 0.000 0.904 118 Q HN 0.353 nan 8.270 nan 0.000 0.420 119 I N 1.103 121.702 120.570 0.049 0.000 2.147 119 I HA -0.363 3.806 4.170 -0.002 0.000 0.245 119 I C 2.375 178.450 176.117 -0.070 0.000 1.059 119 I CA 2.035 63.352 61.300 0.027 0.000 1.320 119 I CB -0.834 37.048 38.000 -0.197 0.000 1.021 119 I HN 0.605 nan 8.210 nan 0.000 0.415 120 H N -1.378 117.688 119.070 -0.008 0.000 2.426 120 H HA -0.227 4.328 4.556 -0.002 0.000 0.298 120 H C 2.218 177.469 175.328 -0.129 0.000 1.107 120 H CA 1.950 57.976 56.048 -0.038 0.000 1.298 120 H CB -0.594 29.127 29.762 -0.067 0.000 1.377 120 H HN 0.396 nan 8.280 nan 0.000 0.519 121 F N 1.259 121.061 119.950 -0.246 0.000 2.146 121 F HA -0.167 4.359 4.527 -0.001 0.000 0.298 121 F C 1.875 177.529 175.800 -0.243 0.000 1.096 121 F CA 0.951 58.738 58.000 -0.355 0.000 1.275 121 F CB -0.469 38.181 39.000 -0.584 0.000 1.008 121 F HN -0.108 nan 8.300 nan 0.000 0.480 122 F N -1.104 118.850 119.950 0.007 0.000 2.259 122 F HA -0.060 4.466 4.527 -0.002 0.000 0.298 122 F C 2.180 177.973 175.800 -0.012 0.000 1.088 122 F CA 0.500 58.463 58.000 -0.061 0.000 1.358 122 F CB -1.586 37.454 39.000 0.066 0.000 1.040 122 F HN -0.007 nan 8.300 nan 0.000 0.505 123 F N 0.981 120.958 119.950 0.044 0.000 2.186 123 F HA 0.005 4.531 4.527 -0.002 0.000 0.299 123 F C 2.322 178.117 175.800 -0.008 0.000 1.090 123 F CA 0.665 58.705 58.000 0.066 0.000 1.307 123 F CB -0.806 38.257 39.000 0.104 0.000 1.019 123 F HN -0.053 nan 8.300 nan 0.000 0.489 124 A N -0.543 122.314 122.820 0.061 0.000 1.968 124 A HA -0.114 4.205 4.320 -0.002 0.000 0.217 124 A C 2.308 179.839 177.584 -0.089 0.000 1.169 124 A CA 1.494 53.466 52.037 -0.109 0.000 0.638 124 A CB -0.641 18.169 19.000 -0.316 0.000 0.812 124 A HN 0.218 nan 8.150 nan 0.000 0.446 125 K N -0.838 119.461 120.400 -0.168 0.000 2.103 125 K HA -0.007 4.313 4.320 -0.002 0.000 0.204 125 K C 2.016 178.612 176.600 -0.007 0.000 1.052 125 K CA 1.109 57.314 56.287 -0.137 0.000 0.945 125 K CB -0.945 31.456 32.500 -0.165 0.000 0.722 125 K HN 0.555 nan 8.250 nan 0.000 0.443 126 L N 2.027 123.284 121.223 0.056 0.000 2.083 126 L HA -0.075 4.264 4.340 -0.002 0.000 0.209 126 L C 1.479 178.372 176.870 0.039 0.000 1.083 126 L CA 1.879 56.749 54.840 0.050 0.000 0.752 126 L CB -0.643 41.438 42.059 0.037 0.000 0.899 126 L HN 0.221 nan 8.230 nan 0.000 0.433 127 N N -1.152 117.633 118.700 0.142 0.000 2.331 127 N HA -0.122 4.617 4.740 -0.002 0.000 0.180 127 N C 1.887 177.448 175.510 0.084 0.000 1.019 127 N CA 1.442 54.579 53.050 0.146 0.000 0.881 127 N CB -0.744 38.007 38.487 0.440 0.000 0.972 127 N HN 0.418 nan 8.380 nan 0.000 0.435 128 c N 1.404 120.043 118.600 0.066 0.000 2.432 128 c HA 0.022 4.591 4.570 -0.002 0.000 0.277 128 c C 2.581 176.682 174.090 0.019 0.000 1.249 128 c CA 0.302 56.662 56.329 0.051 0.000 1.725 128 c CB -0.581 41.937 42.510 0.013 0.000 2.028 128 c HN 0.436 nan 8.230 nan 0.000 0.477 129 R N 0.849 121.341 120.500 -0.013 0.000 2.081 129 R HA -0.022 4.317 4.340 -0.002 0.000 0.235 129 R C 2.019 178.279 176.300 -0.066 0.000 1.131 129 R CA 1.161 57.248 56.100 -0.021 0.000 0.960 129 R CB -1.011 29.279 30.300 -0.016 0.000 0.856 129 R HN 0.533 nan 8.270 nan 0.000 0.436 130 L N -0.651 120.457 121.223 -0.192 0.000 2.023 130 L HA -0.139 4.200 4.340 -0.002 0.000 0.205 130 L C 2.017 178.708 176.870 -0.299 0.000 1.073 130 L CA 1.419 56.033 54.840 -0.376 0.000 0.745 130 L CB -0.435 41.127 42.059 -0.828 0.000 0.900 130 L HN 0.101 nan 8.230 nan 0.000 0.435 131 Y N -1.022 119.332 120.300 0.090 0.000 2.497 131 Y HA 0.193 4.742 4.550 -0.002 0.000 0.265 131 Y C 1.807 177.748 175.900 0.070 0.000 1.111 131 Y CA -0.082 58.070 58.100 0.088 0.000 1.288 131 Y CB -0.406 38.109 38.460 0.091 0.000 1.082 131 Y HN -0.024 nan 8.280 nan 0.000 0.536 132 R N 1.865 122.466 120.500 0.169 0.000 2.825 132 R HA 0.485 4.824 4.340 -0.002 0.000 0.261 132 R C -0.525 175.824 176.300 0.081 0.000 1.341 132 R CA -0.550 55.619 56.100 0.115 0.000 1.353 132 R CB -1.041 29.313 30.300 0.090 0.000 1.191 132 R HN 0.251 nan 8.270 nan 0.000 0.590 133 K N 0.470 120.921 120.400 0.086 0.000 2.371 133 K HA 0.694 5.013 4.320 -0.002 0.000 0.251 133 K C -0.841 175.796 176.600 0.062 0.000 0.934 133 K CA -0.782 55.546 56.287 0.069 0.000 0.798 133 K CB 2.512 35.057 32.500 0.075 0.000 1.204 133 K HN 0.498 nan 8.250 nan 0.000 0.427 134 A N 3.326 126.177 122.820 0.051 0.000 2.937 134 A HA 0.483 4.802 4.320 -0.002 0.000 0.338 134 A C -0.622 176.988 177.584 0.044 0.000 1.273 134 A CA -0.258 51.806 52.037 0.044 0.000 0.937 134 A CB -0.596 18.426 19.000 0.037 0.000 1.133 134 A HN 0.872 nan 8.150 nan 0.000 0.491 135 N N -1.012 117.717 118.700 0.049 0.000 6.906 135 N HA 0.379 5.118 4.740 -0.002 0.000 0.088 135 N C -0.205 175.342 175.510 0.062 0.000 1.481 135 N CA 1.105 54.185 53.050 0.050 0.000 1.917 135 N CB -0.272 38.242 38.487 0.047 0.000 1.035 135 N HN 0.867 nan 8.380 nan 0.000 1.042 136 K N 0.413 120.852 120.400 0.065 0.000 2.400 136 K HA 0.359 4.679 4.320 -0.002 0.000 0.186 136 K C 1.038 177.687 176.600 0.081 0.000 2.562 136 K CA 1.469 57.804 56.287 0.080 0.000 1.343 136 K CB -1.218 31.334 32.500 0.088 0.000 2.827 136 K HN 1.666 nan 8.250 nan 0.000 0.414 137 S N -0.908 114.829 115.700 0.062 0.000 2.061 137 S HA -0.154 4.315 4.470 -0.002 0.000 0.236 137 S C 0.185 174.805 174.600 0.032 0.000 1.096 137 S CA 1.821 60.050 58.200 0.049 0.000 1.537 137 S CB -1.627 61.611 63.200 0.064 0.000 1.961 137 S HN 1.394 nan 8.310 nan 0.000 0.571 138 S N 2.264 117.999 115.700 0.058 0.000 2.404 138 S HA 0.388 4.857 4.470 -0.002 0.000 0.309 138 S C -0.391 174.237 174.600 0.047 0.000 1.076 138 S CA -0.422 57.794 58.200 0.027 0.000 1.095 138 S CB 1.393 64.684 63.200 0.152 0.000 0.972 138 S HN 0.467 nan 8.310 nan 0.000 0.484 139 K N 3.272 123.658 120.400 -0.023 0.000 2.312 139 K HA 0.297 4.616 4.320 -0.002 0.000 0.287 139 K C -1.063 175.633 176.600 0.160 0.000 1.062 139 K CA -0.470 55.857 56.287 0.066 0.000 0.934 139 K CB 0.298 32.835 32.500 0.063 0.000 1.027 139 K HN 0.412 nan 8.250 nan 0.000 0.478 140 L N 6.843 128.217 121.223 0.253 0.000 2.492 140 L HA 0.265 4.604 4.340 -0.002 0.000 0.258 140 L C -1.253 175.873 176.870 0.427 0.000 1.028 140 L CA -0.655 54.413 54.840 0.379 0.000 0.900 140 L CB 1.242 43.525 42.059 0.373 0.000 1.191 140 L HN 0.395 nan 8.230 nan 0.000 0.459 141 V N 0.828 120.940 119.914 0.330 0.000 2.881 141 V HA 0.970 5.089 4.120 -0.002 0.000 0.316 141 V C -0.178 175.859 176.094 -0.095 0.000 1.070 141 V CA -0.396 61.992 62.300 0.147 0.000 0.976 141 V CB 1.720 33.590 31.823 0.078 0.000 1.038 141 V HN 0.714 nan 8.190 nan 0.000 0.446 142 S N 1.446 116.880 115.700 -0.442 0.000 2.546 142 S HA 0.883 5.352 4.470 -0.002 0.000 0.274 142 S C -0.733 173.704 174.600 -0.271 0.000 1.121 142 S CA 0.072 57.959 58.200 -0.520 0.000 0.887 142 S CB 1.635 64.095 63.200 -1.234 0.000 1.094 142 S HN 2.128 nan 8.310 nan 0.000 0.474 143 A N 3.714 126.468 122.820 -0.111 0.000 2.402 143 A HA 0.744 5.063 4.320 -0.002 0.000 0.291 143 A C -1.025 176.717 177.584 0.262 0.000 1.051 143 A CA -0.833 51.237 52.037 0.055 0.000 0.716 143 A CB 0.831 19.815 19.000 -0.027 0.000 1.223 143 A HN 0.817 nan 8.150 nan 0.000 0.425 144 N N 0.731 119.552 118.700 0.202 0.000 2.404 144 N HA 0.862 5.601 4.740 -0.002 0.000 0.297 144 N C -0.369 175.128 175.510 -0.022 0.000 1.163 144 N CA -0.744 52.376 53.050 0.117 0.000 0.864 144 N CB 1.643 40.129 38.487 -0.002 0.000 1.247 144 N HN 0.753 nan 8.380 nan 0.000 0.510 145 R N 0.768 121.113 120.500 -0.258 0.000 2.644 145 R HA 0.373 4.712 4.340 -0.002 0.000 0.257 145 R C -2.121 173.796 176.300 -0.638 0.000 1.082 145 R CA -0.549 55.174 56.100 -0.629 0.000 0.927 145 R CB 0.860 30.373 30.300 -1.312 0.000 1.258 145 R HN 0.475 nan 8.270 nan 0.000 0.459 146 L N 3.625 124.423 121.223 -0.708 0.000 2.325 146 L HA 0.601 4.940 4.340 -0.002 0.000 0.278 146 L C -0.932 175.472 176.870 -0.776 0.000 1.023 146 L CA -0.728 53.793 54.840 -0.532 0.000 0.811 146 L CB 1.395 43.210 42.059 -0.407 0.000 1.249 146 L HN 0.520 nan 8.230 nan 0.000 0.431 147 F N 0.819 120.645 119.950 -0.207 0.000 2.513 147 F HA 0.545 5.071 4.527 -0.002 0.000 0.358 147 F C 0.656 176.447 175.800 -0.015 0.000 1.118 147 F CA -0.584 57.333 58.000 -0.139 0.000 1.037 147 F CB 1.787 40.792 39.000 0.008 0.000 1.276 147 F HN 0.415 nan 8.300 nan 0.000 0.446 148 G N 1.126 109.869 108.800 -0.096 0.000 2.441 148 G HA2 0.346 4.305 3.960 -0.002 0.000 0.334 148 G HA3 0.346 4.305 3.960 -0.002 0.000 0.334 148 G C -1.330 173.648 174.900 0.130 0.000 1.161 148 G CA -0.659 44.458 45.100 0.029 0.000 0.935 148 G HN 0.459 nan 8.290 nan 0.000 0.488 149 D N -0.151 120.498 120.400 0.414 0.000 2.487 149 D HA -0.043 4.596 4.640 -0.002 0.000 0.243 149 D C 1.496 177.867 176.300 0.119 0.000 1.154 149 D CA 0.205 54.308 54.000 0.173 0.000 0.876 149 D CB 0.960 41.925 40.800 0.275 0.000 1.161 149 D HN 0.396 nan 8.370 nan 0.000 0.478 150 K N 1.735 122.120 120.400 -0.025 0.000 2.442 150 K HA -0.143 4.176 4.320 -0.002 0.000 0.199 150 K C 1.166 177.776 176.600 0.017 0.000 1.044 150 K CA 1.234 57.515 56.287 -0.010 0.000 0.941 150 K CB 0.055 32.520 32.500 -0.058 0.000 0.759 150 K HN 0.448 nan 8.250 nan 0.000 0.472 151 S N -0.631 115.081 115.700 0.021 0.000 2.524 151 S HA 0.179 4.648 4.470 -0.002 0.000 0.215 151 S C 0.647 175.226 174.600 -0.034 0.000 0.986 151 S CA -0.698 57.501 58.200 -0.002 0.000 0.911 151 S CB 0.014 63.213 63.200 -0.001 0.000 0.805 151 S HN 0.095 nan 8.310 nan 0.000 0.501 152 L N 1.293 122.477 121.223 -0.064 0.000 2.387 152 L HA 0.559 4.899 4.340 -0.002 0.000 0.266 152 L C -0.320 176.392 176.870 -0.263 0.000 1.059 152 L CA -0.788 53.915 54.840 -0.228 0.000 0.801 152 L CB 1.197 42.990 42.059 -0.443 0.000 1.223 152 L HN -0.059 nan 8.230 nan 0.000 0.456 153 T N 1.078 115.443 114.554 -0.314 0.000 2.788 153 T HA 0.504 4.853 4.350 -0.002 0.000 0.296 153 T C -0.458 174.067 174.700 -0.293 0.000 1.009 153 T CA -0.247 61.744 62.100 -0.182 0.000 0.949 153 T CB 0.174 68.987 68.868 -0.093 0.000 0.946 153 T HN 0.102 nan 8.240 nan 0.000 0.453 154 F N 2.577 122.532 119.950 0.009 0.000 2.371 154 F HA 0.325 4.851 4.527 -0.001 0.000 0.329 154 F C 1.320 177.147 175.800 0.045 0.000 1.107 154 F CA -1.009 57.008 58.000 0.030 0.000 1.137 154 F CB 0.618 39.665 39.000 0.078 0.000 1.214 154 F HN 0.403 nan 8.300 nan 0.000 0.536 155 N N 1.721 120.553 118.700 0.221 0.000 2.353 155 N HA -0.122 4.617 4.740 -0.002 0.000 0.248 155 N C 0.847 176.466 175.510 0.181 0.000 1.240 155 N CA 0.244 53.388 53.050 0.157 0.000 0.862 155 N CB 0.892 39.462 38.487 0.139 0.000 1.086 155 N HN 0.695 nan 8.380 nan 0.000 0.453 156 E N 1.998 122.257 120.200 0.098 0.000 2.112 156 E HA -0.024 4.325 4.350 -0.002 0.000 0.190 156 E C 1.273 177.896 176.600 0.037 0.000 0.979 156 E CA 1.257 57.693 56.400 0.059 0.000 0.814 156 E CB -0.095 29.622 29.700 0.029 0.000 0.762 156 E HN 0.687 nan 8.360 nan 0.000 0.460 157 T N -0.100 114.484 114.554 0.049 0.000 2.643 157 T HA -0.179 4.170 4.350 -0.002 0.000 0.264 157 T C 1.465 176.178 174.700 0.021 0.000 1.045 157 T CA 1.510 63.625 62.100 0.024 0.000 1.155 157 T CB -0.702 68.185 68.868 0.031 0.000 0.863 157 T HN 0.322 nan 8.240 nan 0.000 0.420 158 Y N 1.702 121.983 120.300 -0.031 0.000 2.114 158 Y HA -0.240 4.309 4.550 -0.002 0.000 0.282 158 Y C 2.655 178.521 175.900 -0.056 0.000 1.165 158 Y CA 1.902 59.976 58.100 -0.044 0.000 1.148 158 Y CB -0.479 37.971 38.460 -0.016 0.000 0.972 158 Y HN 0.206 nan 8.280 nan 0.000 0.504 159 Q N -0.445 119.259 119.800 -0.160 0.000 2.170 159 Q HA -0.186 4.153 4.340 -0.002 0.000 0.203 159 Q C 1.142 176.985 176.000 -0.261 0.000 0.976 159 Q CA 1.731 57.374 55.803 -0.266 0.000 0.858 159 Q CB -0.016 28.694 28.738 -0.046 0.000 0.907 159 Q HN 0.575 nan 8.270 nan 0.000 0.433 160 D N -0.369 119.924 120.400 -0.177 0.000 2.327 160 D HA 0.026 4.665 4.640 -0.002 0.000 0.205 160 D C 1.629 177.829 176.300 -0.167 0.000 0.989 160 D CA 0.391 54.303 54.000 -0.147 0.000 0.873 160 D CB 0.224 40.970 40.800 -0.090 0.000 0.955 160 D HN 0.308 nan 8.370 nan 0.000 0.515 161 I N 0.599 121.051 120.570 -0.196 0.000 2.617 161 I HA -0.148 4.021 4.170 -0.002 0.000 0.256 161 I C 1.986 177.962 176.117 -0.235 0.000 1.167 161 I CA 0.566 61.749 61.300 -0.195 0.000 1.469 161 I CB 0.130 38.020 38.000 -0.184 0.000 1.098 161 I HN -0.139 nan 8.210 nan 0.000 0.436 162 S N 0.129 115.637 115.700 -0.321 0.000 2.395 162 S HA -0.175 4.294 4.470 -0.002 0.000 0.225 162 S C 1.900 176.392 174.600 -0.181 0.000 1.027 162 S CA 1.004 59.040 58.200 -0.275 0.000 0.965 162 S CB -0.084 62.797 63.200 -0.533 0.000 0.812 162 S HN 0.463 nan 8.310 nan 0.000 0.482 163 E N 0.485 120.563 120.200 -0.204 0.000 2.216 163 E HA -0.053 4.296 4.350 -0.002 0.000 0.192 163 E C 1.936 178.460 176.600 -0.125 0.000 0.988 163 E CA 0.419 56.728 56.400 -0.153 0.000 0.834 163 E CB -0.020 29.591 29.700 -0.149 0.000 0.772 163 E HN 0.300 nan 8.360 nan 0.000 0.479 164 L N 0.095 121.233 121.223 -0.141 0.000 2.034 164 L HA -0.059 4.280 4.340 -0.002 0.000 0.203 164 L C 2.175 178.941 176.870 -0.173 0.000 1.074 164 L CA 1.295 56.058 54.840 -0.127 0.000 0.748 164 L CB -0.410 41.582 42.059 -0.113 0.000 0.905 164 L HN 0.023 nan 8.230 nan 0.000 0.439 165 V N -1.206 118.544 119.914 -0.273 0.000 2.453 165 V HA -0.216 3.903 4.120 -0.002 0.000 0.247 165 V C 1.523 177.187 176.094 -0.717 0.000 1.048 165 V CA 1.625 63.617 62.300 -0.512 0.000 1.049 165 V CB -0.650 30.746 31.823 -0.710 0.000 0.672 165 V HN 0.495 nan 8.190 nan 0.000 0.457 166 Y N -0.516 119.705 120.300 -0.131 0.000 2.527 166 Y HA 0.521 5.070 4.550 -0.002 0.000 0.247 166 Y C 1.808 177.642 175.900 -0.111 0.000 1.138 166 Y CA 0.037 58.056 58.100 -0.135 0.000 1.228 166 Y CB 0.359 38.704 38.460 -0.191 0.000 1.252 166 Y HN 0.237 nan 8.280 nan 0.000 0.531 167 G N 1.069 109.856 108.800 -0.022 0.000 2.179 167 G HA2 -0.218 3.741 3.960 -0.002 0.000 0.257 167 G HA3 -0.218 3.741 3.960 -0.002 0.000 0.257 167 G C 0.244 175.112 174.900 -0.054 0.000 1.010 167 G CA 0.179 45.258 45.100 -0.035 0.000 0.736 167 G HN 0.631 nan 8.290 nan 0.000 0.513 168 A N 0.322 123.093 122.820 -0.082 0.000 2.415 168 A HA 0.621 4.940 4.320 -0.002 0.000 0.309 168 A C 0.764 178.201 177.584 -0.244 0.000 1.356 168 A CA -0.041 51.893 52.037 -0.172 0.000 0.998 168 A CB 0.277 19.164 19.000 -0.188 0.000 1.145 168 A HN 0.434 nan 8.150 nan 0.000 0.545 169 K N 1.270 121.512 120.400 -0.262 0.000 2.168 169 K HA 0.361 4.680 4.320 -0.002 0.000 0.258 169 K C -0.554 175.808 176.600 -0.397 0.000 1.010 169 K CA -0.298 55.824 56.287 -0.276 0.000 0.929 169 K CB 1.223 33.587 32.500 -0.227 0.000 0.998 169 K HN 0.675 nan 8.250 nan 0.000 0.479 170 L N 2.843 123.851 121.223 -0.358 0.000 2.277 170 L HA 0.175 4.514 4.340 -0.002 0.000 0.284 170 L C -0.558 176.081 176.870 -0.386 0.000 1.028 170 L CA -0.358 54.227 54.840 -0.425 0.000 0.835 170 L CB 0.911 42.744 42.059 -0.376 0.000 1.215 170 L HN 0.591 nan 8.230 nan 0.000 0.425 171 Q N 6.582 126.078 119.800 -0.508 0.000 2.274 171 Q HA 0.410 4.749 4.340 -0.002 0.000 0.256 171 Q C -2.383 173.485 176.000 -0.220 0.000 0.927 171 Q CA -1.835 53.756 55.803 -0.352 0.000 0.939 171 Q CB 1.526 30.013 28.738 -0.419 0.000 1.201 171 Q HN 0.404 nan 8.270 nan 0.000 0.426 172 P HA 0.112 nan 4.420 nan 0.000 0.271 172 P C -1.158 176.051 177.300 -0.152 0.000 1.226 172 P CA 0.390 63.421 63.100 -0.114 0.000 0.765 172 P CB 0.453 32.112 31.700 -0.068 0.000 0.835 173 L N 2.562 123.614 121.223 -0.286 0.000 2.409 173 L HA 0.352 4.691 4.340 -0.002 0.000 0.262 173 L C 0.236 176.809 176.870 -0.494 0.000 0.992 173 L CA -0.781 53.799 54.840 -0.433 0.000 0.817 173 L CB 2.411 44.053 42.059 -0.694 0.000 1.350 173 L HN 0.173 nan 8.230 nan 0.000 0.411 174 D N 1.683 121.906 120.400 -0.295 0.000 2.688 174 D HA 0.084 4.723 4.640 -0.002 0.000 0.228 174 D C 0.836 177.100 176.300 -0.060 0.000 1.116 174 D CA 0.042 53.953 54.000 -0.148 0.000 1.023 174 D CB 0.188 40.951 40.800 -0.063 0.000 1.100 174 D HN 0.220 nan 8.370 nan 0.000 0.487 175 F N 1.059 121.028 119.950 0.032 0.000 2.146 175 F HA -0.031 4.495 4.527 -0.002 0.000 0.298 175 F C 2.414 178.227 175.800 0.021 0.000 1.096 175 F CA 0.718 58.733 58.000 0.024 0.000 1.275 175 F CB -0.399 38.622 39.000 0.036 0.000 1.008 175 F HN 0.227 nan 8.300 nan 0.000 0.480 176 K N -0.352 120.170 120.400 0.202 0.000 2.152 176 K HA -0.207 4.112 4.320 -0.002 0.000 0.206 176 K C 1.843 178.490 176.600 0.080 0.000 1.048 176 K CA 1.558 57.916 56.287 0.119 0.000 0.933 176 K CB 0.124 32.673 32.500 0.082 0.000 0.721 176 K HN 0.079 nan 8.250 nan 0.000 0.447 177 E N -0.040 120.199 120.200 0.066 0.000 2.175 177 E HA 0.131 4.481 4.350 -0.002 0.000 0.193 177 E C -0.220 176.410 176.600 0.049 0.000 0.962 177 E CA 0.492 56.918 56.400 0.044 0.000 0.981 177 E CB 0.383 30.097 29.700 0.024 0.000 1.093 177 E HN 0.047 nan 8.360 nan 0.000 0.483 178 N N 1.132 119.859 118.700 0.045 0.000 3.083 178 N HA 0.246 4.985 4.740 -0.002 0.000 0.260 178 N C -0.081 175.479 175.510 0.083 0.000 1.163 178 N CA 0.302 53.379 53.050 0.046 0.000 1.060 178 N CB 1.248 39.748 38.487 0.022 0.000 1.345 178 N HN 0.178 nan 8.380 nan 0.000 0.515 179 A N 1.412 124.296 122.820 0.106 0.000 1.832 179 A HA -0.172 4.147 4.320 -0.002 0.000 0.214 179 A C 2.016 179.659 177.584 0.099 0.000 1.200 179 A CA 1.280 53.407 52.037 0.149 0.000 0.610 179 A CB -0.438 18.620 19.000 0.097 0.000 0.842 179 A HN 0.472 nan 8.150 nan 0.000 0.444 180 E N -0.124 120.106 120.200 0.050 0.000 2.187 180 E HA -0.282 4.067 4.350 -0.002 0.000 0.199 180 E C 2.078 178.691 176.600 0.021 0.000 1.004 180 E CA 2.018 58.432 56.400 0.023 0.000 0.813 180 E CB -0.327 29.380 29.700 0.013 0.000 0.736 180 E HN 0.726 nan 8.360 nan 0.000 0.468 181 Q N -0.863 118.954 119.800 0.028 0.000 2.230 181 Q HA -0.055 4.284 4.340 -0.002 0.000 0.202 181 Q C 1.955 177.964 176.000 0.014 0.000 0.963 181 Q CA 1.362 57.174 55.803 0.015 0.000 0.866 181 Q CB -0.023 28.722 28.738 0.011 0.000 0.931 181 Q HN 0.213 nan 8.270 nan 0.000 0.452 182 S N 0.180 115.909 115.700 0.048 0.000 2.371 182 S HA -0.101 4.368 4.470 -0.002 0.000 0.224 182 S C 1.727 176.344 174.600 0.029 0.000 1.029 182 S CA 0.977 59.213 58.200 0.059 0.000 0.978 182 S CB -0.194 63.141 63.200 0.226 0.000 0.833 182 S HN 0.379 nan 8.310 nan 0.000 0.466 183 R N 1.345 121.867 120.500 0.036 0.000 2.094 183 R HA -0.133 4.206 4.340 -0.002 0.000 0.239 183 R C 2.323 178.589 176.300 -0.056 0.000 1.137 183 R CA 1.569 57.650 56.100 -0.032 0.000 0.943 183 R CB -0.554 29.722 30.300 -0.040 0.000 0.850 183 R HN 0.368 nan 8.270 nan 0.000 0.433 184 A N 0.380 123.180 122.820 -0.033 0.000 1.978 184 A HA -0.128 4.191 4.320 -0.002 0.000 0.220 184 A C 2.294 179.860 177.584 -0.029 0.000 1.170 184 A CA 1.784 53.803 52.037 -0.030 0.000 0.636 184 A CB -0.679 18.311 19.000 -0.017 0.000 0.810 184 A HN 0.583 nan 8.150 nan 0.000 0.448 185 A N -0.343 122.455 122.820 -0.037 0.000 1.929 185 A HA 0.060 4.379 4.320 -0.002 0.000 0.216 185 A C 2.098 179.643 177.584 -0.065 0.000 1.176 185 A CA 1.227 53.247 52.037 -0.029 0.000 0.628 185 A CB -0.450 18.532 19.000 -0.030 0.000 0.816 185 A HN 0.480 nan 8.150 nan 0.000 0.444 186 I N 0.053 120.497 120.570 -0.209 0.000 2.163 186 I HA -0.250 3.919 4.170 -0.002 0.000 0.240 186 I C 2.136 178.218 176.117 -0.058 0.000 1.081 186 I CA 1.171 62.240 61.300 -0.385 0.000 1.353 186 I CB -0.516 37.148 38.000 -0.560 0.000 1.054 186 I HN 0.285 nan 8.210 nan 0.000 0.407 187 N N 1.178 119.847 118.700 -0.051 0.000 2.061 187 N HA -0.265 4.474 4.740 -0.002 0.000 0.193 187 N C 1.758 177.286 175.510 0.030 0.000 1.030 187 N CA 1.419 54.466 53.050 -0.005 0.000 0.856 187 N CB -0.437 38.029 38.487 -0.035 0.000 1.023 187 N HN 0.340 nan 8.380 nan 0.000 0.424 188 K N -0.587 119.831 120.400 0.031 0.000 2.147 188 K HA -0.164 4.155 4.320 -0.002 0.000 0.205 188 K C 2.001 178.642 176.600 0.068 0.000 1.049 188 K CA 0.881 57.187 56.287 0.030 0.000 0.936 188 K CB -0.160 32.358 32.500 0.029 0.000 0.722 188 K HN 0.260 nan 8.250 nan 0.000 0.446 189 W N 0.474 121.759 121.300 -0.025 0.000 2.418 189 W HA -0.143 4.516 4.660 -0.001 0.000 0.292 189 W C 1.462 177.992 176.519 0.018 0.000 1.213 189 W CA 0.850 58.213 57.345 0.029 0.000 1.283 189 W CB -0.084 29.461 29.460 0.141 0.000 1.119 189 W HN -0.219 nan 8.180 nan 0.000 0.542 190 V N -0.040 119.989 119.914 0.191 0.000 2.427 190 V HA -0.278 3.841 4.120 -0.002 0.000 0.248 190 V C 2.427 178.437 176.094 -0.140 0.000 1.051 190 V CA 2.072 64.386 62.300 0.024 0.000 1.048 190 V CB -1.167 30.739 31.823 0.139 0.000 0.666 190 V HN 0.276 nan 8.190 nan 0.000 0.456 191 S N 0.487 116.129 115.700 -0.097 0.000 2.368 191 S HA -0.240 4.230 4.470 -0.002 0.000 0.225 191 S C 2.103 176.582 174.600 -0.202 0.000 1.030 191 S CA 1.892 60.017 58.200 -0.126 0.000 0.999 191 S CB -0.517 62.633 63.200 -0.084 0.000 0.844 191 S HN 0.697 nan 8.310 nan 0.000 0.459 192 N N 1.200 119.752 118.700 -0.246 0.000 2.188 192 N HA -0.100 4.639 4.740 -0.002 0.000 0.184 192 N C 1.705 176.975 175.510 -0.400 0.000 1.018 192 N CA 1.766 54.639 53.050 -0.295 0.000 0.858 192 N CB -0.425 37.898 38.487 -0.274 0.000 0.989 192 N HN 0.533 nan 8.380 nan 0.000 0.426 193 K N 0.020 120.095 120.400 -0.543 0.000 2.486 193 K HA 0.011 4.330 4.320 -0.002 0.000 0.194 193 K C 1.538 177.916 176.600 -0.370 0.000 1.033 193 K CA 1.385 57.344 56.287 -0.545 0.000 1.004 193 K CB -0.892 31.110 32.500 -0.830 0.000 0.798 193 K HN 0.599 nan 8.250 nan 0.000 0.495 194 T N -2.000 112.370 114.554 -0.307 0.000 3.252 194 T HA 0.226 4.575 4.350 -0.002 0.000 0.286 194 T C -0.328 174.183 174.700 -0.315 0.000 1.013 194 T CA 0.214 62.199 62.100 -0.191 0.000 0.914 194 T CB -0.096 68.770 68.868 -0.003 0.000 1.131 194 T HN 0.386 nan 8.240 nan 0.000 0.529 195 E N 0.853 120.790 120.200 -0.439 0.000 2.476 195 E HA -0.247 4.102 4.350 -0.002 0.000 0.251 195 E C 1.166 177.622 176.600 -0.241 0.000 1.130 195 E CA 0.973 57.150 56.400 -0.371 0.000 0.736 195 E CB -2.205 27.206 29.700 -0.480 0.000 1.298 195 E HN 1.265 nan 8.360 nan 0.000 0.400 196 G N -0.084 108.589 108.800 -0.211 0.000 2.162 196 G HA2 -0.415 3.545 3.960 -0.002 0.000 0.260 196 G HA3 -0.415 3.545 3.960 -0.002 0.000 0.260 196 G C 0.996 175.767 174.900 -0.215 0.000 0.976 196 G CA 0.679 45.674 45.100 -0.175 0.000 0.655 196 G HN 0.252 nan 8.290 nan 0.000 0.533 197 R N -0.412 119.913 120.500 -0.291 0.000 2.100 197 R HA 0.222 4.562 4.340 -0.002 0.000 0.220 197 R C 1.187 177.347 176.300 -0.232 0.000 1.091 197 R CA 0.731 56.517 56.100 -0.522 0.000 0.986 197 R CB -0.059 29.714 30.300 -0.879 0.000 0.888 197 R HN 0.462 nan 8.270 nan 0.000 0.444 198 I N 1.201 121.704 120.570 -0.110 0.000 2.328 198 I HA 0.170 4.339 4.170 -0.002 0.000 0.287 198 I C 0.595 176.686 176.117 -0.042 0.000 1.012 198 I CA 0.072 61.355 61.300 -0.028 0.000 1.195 198 I CB 1.616 39.621 38.000 0.008 0.000 1.350 198 I HN -0.092 nan 8.210 nan 0.000 0.464 199 T N 3.101 117.638 114.554 -0.029 0.000 2.975 199 T HA 0.059 4.408 4.350 -0.002 0.000 0.257 199 T C 0.334 175.017 174.700 -0.029 0.000 1.003 199 T CA 0.203 62.283 62.100 -0.033 0.000 0.932 199 T CB 0.210 69.058 68.868 -0.033 0.000 1.087 199 T HN 0.711 nan 8.240 nan 0.000 0.512 200 D N 0.220 120.603 120.400 -0.028 0.000 2.914 200 D HA 0.133 4.772 4.640 -0.002 0.000 0.349 200 D C 1.407 177.663 176.300 -0.074 0.000 1.540 200 D CA -0.257 53.712 54.000 -0.050 0.000 0.778 200 D CB -0.896 39.876 40.800 -0.047 0.000 1.213 200 D HN 0.140 nan 8.370 nan 0.000 0.451 201 V N -0.537 119.346 119.914 -0.051 0.000 2.277 201 V HA -0.260 3.860 4.120 -0.002 0.000 0.255 201 V C 1.291 177.299 176.094 -0.142 0.000 1.074 201 V CA 1.251 63.522 62.300 -0.049 0.000 1.058 201 V CB -1.057 30.770 31.823 0.007 0.000 0.656 201 V HN 0.407 nan 8.190 nan 0.000 0.449 202 I N 3.730 124.190 120.570 -0.184 0.000 2.297 202 I HA 0.310 4.479 4.170 -0.002 0.000 0.291 202 I C -2.091 173.800 176.117 -0.378 0.000 1.033 202 I CA -2.003 59.079 61.300 -0.363 0.000 1.253 202 I CB 1.162 39.040 38.000 -0.204 0.000 1.396 202 I HN 0.167 nan 8.210 nan 0.000 0.476 203 P HA -0.002 nan 4.420 nan 0.000 0.272 203 P C -0.041 177.122 177.300 -0.228 0.000 1.223 203 P CA -0.225 62.666 63.100 -0.349 0.000 0.784 203 P CB 0.915 32.378 31.700 -0.395 0.000 0.923 204 S N 1.175 116.799 115.700 -0.127 0.000 2.558 204 S HA -0.053 4.416 4.470 -0.002 0.000 0.291 204 S C 0.848 175.413 174.600 -0.057 0.000 1.306 204 S CA 0.619 58.773 58.200 -0.076 0.000 1.056 204 S CB -0.797 62.377 63.200 -0.045 0.000 0.836 204 S HN 0.594 nan 8.310 nan 0.000 0.504 205 E N 0.729 120.907 120.200 -0.037 0.000 4.086 205 E HA -0.292 4.057 4.350 -0.002 0.000 0.363 205 E C 1.155 177.755 176.600 -0.000 0.000 0.616 205 E CA 0.954 57.348 56.400 -0.010 0.000 1.293 205 E CB -1.928 27.776 29.700 0.007 0.000 1.747 205 E HN 0.769 nan 8.360 nan 0.000 0.405 206 A N 0.685 123.491 122.820 -0.023 0.000 2.024 206 A HA -0.013 4.306 4.320 -0.002 0.000 0.220 206 A C 1.226 178.819 177.584 0.015 0.000 1.164 206 A CA 1.051 53.111 52.037 0.038 0.000 0.643 206 A CB -0.176 18.814 19.000 -0.017 0.000 0.806 206 A HN 0.287 nan 8.150 nan 0.000 0.451 207 I N 0.636 121.180 120.570 -0.043 0.000 2.404 207 I HA 0.278 4.447 4.170 -0.002 0.000 0.293 207 I C -0.259 175.828 176.117 -0.050 0.000 0.992 207 I CA -0.634 60.605 61.300 -0.102 0.000 1.149 207 I CB 1.587 39.489 38.000 -0.163 0.000 1.315 207 I HN 0.519 nan 8.210 nan 0.000 0.446 208 N N 3.035 121.704 118.700 -0.052 0.000 2.761 208 N HA 0.314 5.053 4.740 -0.002 0.000 0.283 208 N C -0.158 175.367 175.510 0.024 0.000 1.377 208 N CA -0.765 52.286 53.050 0.003 0.000 0.791 208 N CB 1.187 39.685 38.487 0.017 0.000 1.540 208 N HN 0.391 nan 8.380 nan 0.000 0.539 209 E N 0.165 120.395 120.200 0.050 0.000 2.455 209 E HA -0.096 4.253 4.350 -0.002 0.000 0.202 209 E C 1.181 177.821 176.600 0.067 0.000 1.045 209 E CA 1.032 57.475 56.400 0.072 0.000 0.872 209 E CB -0.395 29.339 29.700 0.057 0.000 0.792 209 E HN 0.530 nan 8.360 nan 0.000 0.542 210 L N 0.236 121.485 121.223 0.043 0.000 2.529 210 L HA 0.119 4.458 4.340 -0.002 0.000 0.223 210 L C 0.356 177.233 176.870 0.011 0.000 1.113 210 L CA 0.047 54.912 54.840 0.042 0.000 0.861 210 L CB -0.154 41.939 42.059 0.056 0.000 1.012 210 L HN -0.047 nan 8.230 nan 0.000 0.461 211 T N 0.600 115.124 114.554 -0.050 0.000 2.829 211 T HA 0.049 4.398 4.350 -0.002 0.000 0.293 211 T C 1.282 175.949 174.700 -0.055 0.000 0.970 211 T CA -0.063 61.924 62.100 -0.189 0.000 1.168 211 T CB 1.985 70.548 68.868 -0.508 0.000 0.911 211 T HN -0.122 nan 8.240 nan 0.000 0.535 212 V N 3.718 123.626 119.914 -0.009 0.000 2.374 212 V HA 0.253 4.372 4.120 -0.002 0.000 0.241 212 V C 0.461 176.759 176.094 0.339 0.000 1.034 212 V CA 0.751 63.155 62.300 0.173 0.000 1.037 212 V CB -0.099 31.779 31.823 0.092 0.000 0.682 212 V HN 0.641 nan 8.190 nan 0.000 0.463 213 L N -1.012 120.293 121.223 0.137 0.000 2.415 213 L HA 0.719 5.058 4.340 -0.002 0.000 0.256 213 L C -1.498 175.379 176.870 0.012 0.000 1.010 213 L CA -0.434 54.506 54.840 0.168 0.000 0.826 213 L CB 2.436 44.563 42.059 0.113 0.000 1.405 213 L HN -0.142 nan 8.230 nan 0.000 0.410 214 V N 4.209 124.186 119.914 0.106 0.000 2.532 214 V HA 0.440 4.559 4.120 -0.002 0.000 0.294 214 V C -0.855 175.305 176.094 0.110 0.000 1.036 214 V CA -0.395 61.944 62.300 0.065 0.000 0.876 214 V CB 1.535 33.403 31.823 0.074 0.000 1.012 214 V HN 0.568 nan 8.190 nan 0.000 0.432 215 L N 5.751 126.966 121.223 -0.014 0.000 2.292 215 L HA 0.694 5.033 4.340 -0.002 0.000 0.284 215 L C -0.163 176.695 176.870 -0.020 0.000 1.065 215 L CA -0.051 54.750 54.840 -0.066 0.000 0.806 215 L CB 1.565 43.521 42.059 -0.172 0.000 1.175 215 L HN 0.396 nan 8.230 nan 0.000 0.431 216 V N 2.516 122.436 119.914 0.011 0.000 2.709 216 V HA 0.533 4.652 4.120 -0.002 0.000 0.308 216 V C -0.571 175.578 176.094 0.093 0.000 1.062 216 V CA -0.763 61.595 62.300 0.098 0.000 0.901 216 V CB 2.154 34.130 31.823 0.255 0.000 1.003 216 V HN 0.825 nan 8.190 nan 0.000 0.425 217 N N 1.705 120.477 118.700 0.120 0.000 2.292 217 N HA 0.850 5.589 4.740 -0.002 0.000 0.303 217 N C -0.909 174.702 175.510 0.169 0.000 1.140 217 N CA -0.137 52.982 53.050 0.114 0.000 0.788 217 N CB 2.460 40.978 38.487 0.053 0.000 1.361 217 N HN 0.913 nan 8.380 nan 0.000 0.489 218 T N -0.080 114.556 114.554 0.135 0.000 3.041 218 T HA 0.575 4.924 4.350 -0.002 0.000 0.321 218 T C -0.916 173.823 174.700 0.064 0.000 1.184 218 T CA -0.704 61.460 62.100 0.107 0.000 1.050 218 T CB 0.284 69.183 68.868 0.053 0.000 1.159 218 T HN 0.371 nan 8.240 nan 0.000 0.469 219 I N 2.631 123.284 120.570 0.139 0.000 2.582 219 I HA 0.541 4.710 4.170 -0.002 0.000 0.292 219 I C -1.596 174.742 176.117 0.368 0.000 1.066 219 I CA -1.151 60.255 61.300 0.178 0.000 1.053 219 I CB 2.461 40.550 38.000 0.149 0.000 1.241 219 I HN 0.801 nan 8.210 nan 0.000 0.421 220 Y N 6.763 127.201 120.300 0.231 0.000 2.425 220 Y HA 0.643 5.192 4.550 -0.001 0.000 0.344 220 Y C -1.795 174.314 175.900 0.348 0.000 0.969 220 Y CA -0.997 57.252 58.100 0.248 0.000 1.052 220 Y CB 1.852 40.352 38.460 0.065 0.000 1.215 220 Y HN 0.443 nan 8.280 nan 0.000 0.451 221 F N 6.450 126.085 119.950 -0.524 0.000 2.565 221 F HA 0.693 5.218 4.527 -0.002 0.000 0.313 221 F C -1.800 173.632 175.800 -0.613 0.000 1.091 221 F CA -0.764 57.028 58.000 -0.347 0.000 0.915 221 F CB 1.535 40.505 39.000 -0.049 0.000 1.208 221 F HN 0.365 nan 8.300 nan 0.000 0.453 222 K N 3.962 123.539 120.400 -1.371 0.000 2.656 222 K HA 0.523 4.842 4.320 -0.002 0.000 0.253 222 K C -1.048 174.793 176.600 -1.266 0.000 1.002 222 K CA -0.440 55.170 56.287 -1.129 0.000 0.880 222 K CB 1.525 33.780 32.500 -0.409 0.000 1.232 222 K HN 0.968 nan 8.250 nan 0.000 0.456 223 G N 2.605 110.559 108.800 -1.411 0.000 2.569 223 G HA2 0.701 4.660 3.960 -0.002 0.000 0.300 223 G HA3 0.701 4.660 3.960 -0.002 0.000 0.300 223 G C -1.198 173.581 174.900 -0.202 0.000 1.269 223 G CA -0.647 44.000 45.100 -0.755 0.000 0.959 223 G HN 0.363 nan 8.290 nan 0.000 0.478 224 L N 0.360 121.639 121.223 0.095 0.000 2.341 224 L HA 0.384 4.723 4.340 -0.002 0.000 0.278 224 L C -0.430 176.599 176.870 0.265 0.000 1.005 224 L CA -0.814 54.087 54.840 0.102 0.000 0.818 224 L CB 1.916 44.027 42.059 0.087 0.000 1.259 224 L HN 0.633 nan 8.230 nan 0.000 0.418 225 W N 3.424 124.863 121.300 0.233 0.000 2.314 225 W HA -0.051 4.609 4.660 -0.001 0.000 0.339 225 W C 1.541 178.091 176.519 0.052 0.000 1.293 225 W CA -0.082 57.297 57.345 0.056 0.000 1.288 225 W CB 0.657 30.142 29.460 0.042 0.000 1.186 225 W HN 0.602 nan 8.180 nan 0.000 0.566 226 K N 1.392 121.972 120.400 0.300 0.000 2.097 226 K HA -0.159 4.160 4.320 -0.002 0.000 0.206 226 K C 0.804 177.467 176.600 0.105 0.000 1.049 226 K CA 1.249 57.639 56.287 0.172 0.000 0.933 226 K CB 0.003 32.578 32.500 0.126 0.000 0.717 226 K HN 0.260 nan 8.250 nan 0.000 0.442 227 S N 1.073 116.825 115.700 0.087 0.000 2.532 227 S HA 0.289 4.758 4.470 -0.002 0.000 0.256 227 S C -1.090 173.456 174.600 -0.090 0.000 1.298 227 S CA -0.907 57.267 58.200 -0.042 0.000 1.166 227 S CB 0.495 63.589 63.200 -0.176 0.000 1.022 227 S HN 0.096 nan 8.310 nan 0.000 0.480 228 K N 2.171 122.592 120.400 0.036 0.000 2.285 228 K HA 0.321 4.640 4.320 -0.002 0.000 0.255 228 K C -0.499 176.024 176.600 -0.129 0.000 1.000 228 K CA 0.589 56.937 56.287 0.103 0.000 0.887 228 K CB 0.144 32.755 32.500 0.185 0.000 0.997 228 K HN 0.508 nan 8.250 nan 0.000 0.510 229 F N -0.718 119.288 119.950 0.094 0.000 2.483 229 F HA 0.352 4.878 4.527 -0.002 0.000 0.329 229 F C 0.316 176.165 175.800 0.082 0.000 1.064 229 F CA -0.629 57.395 58.000 0.039 0.000 0.986 229 F CB 1.862 40.874 39.000 0.020 0.000 1.218 229 F HN 0.181 nan 8.300 nan 0.000 0.484 230 S N 2.718 118.582 115.700 0.273 0.000 2.438 230 S HA 0.252 4.721 4.470 -0.002 0.000 0.316 230 S C -1.979 172.726 174.600 0.174 0.000 1.084 230 S CA -1.121 57.190 58.200 0.186 0.000 1.107 230 S CB 1.651 64.932 63.200 0.136 0.000 0.981 230 S HN 0.339 nan 8.310 nan 0.000 0.466 231 P HA -0.158 nan 4.420 nan 0.000 0.218 231 P C 1.390 178.744 177.300 0.090 0.000 1.146 231 P CA 0.901 64.066 63.100 0.109 0.000 0.820 231 P CB 0.139 31.892 31.700 0.088 0.000 0.778 232 E N -1.004 119.247 120.200 0.086 0.000 2.130 232 E HA -0.178 4.171 4.350 -0.002 0.000 0.196 232 E C 1.622 178.259 176.600 0.063 0.000 0.998 232 E CA 1.274 57.712 56.400 0.064 0.000 0.806 232 E CB -1.240 28.494 29.700 0.057 0.000 0.738 232 E HN 0.498 nan 8.360 nan 0.000 0.459 233 N N -0.035 118.725 118.700 0.100 0.000 2.412 233 N HA 0.023 4.762 4.740 -0.002 0.000 0.184 233 N C 0.615 176.195 175.510 0.117 0.000 1.101 233 N CA 0.294 53.404 53.050 0.101 0.000 0.881 233 N CB 0.123 38.736 38.487 0.208 0.000 0.969 233 N HN 0.249 nan 8.380 nan 0.000 0.459 234 T N 1.262 115.881 114.554 0.109 0.000 2.748 234 T HA 0.550 4.899 4.350 -0.002 0.000 0.304 234 T C 0.779 175.519 174.700 0.067 0.000 1.041 234 T CA 0.013 62.167 62.100 0.090 0.000 1.033 234 T CB 0.758 69.665 68.868 0.064 0.000 0.995 234 T HN 0.434 nan 8.240 nan 0.000 0.536 235 R N 0.588 121.125 120.500 0.062 0.000 2.664 235 R HA 0.488 4.827 4.340 -0.002 0.000 0.260 235 R C -1.376 174.950 176.300 0.043 0.000 1.062 235 R CA -1.002 55.125 56.100 0.046 0.000 0.902 235 R CB 0.476 30.800 30.300 0.041 0.000 1.258 235 R HN 0.556 nan 8.270 nan 0.000 0.465 236 K N 1.331 121.751 120.400 0.035 0.000 2.258 236 K HA 0.403 4.722 4.320 -0.002 0.000 0.264 236 K C -0.427 176.197 176.600 0.040 0.000 1.007 236 K CA -0.037 56.271 56.287 0.035 0.000 0.941 236 K CB 1.278 33.794 32.500 0.028 0.000 0.966 236 K HN 0.784 nan 8.250 nan 0.000 0.480 237 E N 2.266 122.497 120.200 0.051 0.000 2.388 237 E HA 0.141 4.490 4.350 -0.002 0.000 0.289 237 E C -1.066 175.591 176.600 0.095 0.000 0.944 237 E CA -0.458 55.980 56.400 0.065 0.000 0.792 237 E CB 1.049 30.785 29.700 0.061 0.000 1.239 237 E HN 0.364 nan 8.360 nan 0.000 0.412 238 L N 3.816 125.102 121.223 0.104 0.000 2.456 238 L HA 0.282 4.621 4.340 -0.002 0.000 0.272 238 L C -0.130 176.858 176.870 0.198 0.000 1.189 238 L CA 0.114 55.021 54.840 0.111 0.000 0.846 238 L CB 0.137 42.271 42.059 0.125 0.000 1.111 238 L HN 0.489 nan 8.230 nan 0.000 0.475 239 F N 2.704 122.634 119.950 -0.034 0.000 2.507 239 F HA 0.389 4.915 4.527 -0.002 0.000 0.328 239 F C -0.864 174.886 175.800 -0.083 0.000 1.136 239 F CA -0.706 57.308 58.000 0.024 0.000 0.930 239 F CB 0.993 39.987 39.000 -0.010 0.000 1.166 239 F HN 0.137 nan 8.300 nan 0.000 0.436 240 Y N 5.626 125.690 120.300 -0.393 0.000 2.477 240 Y HA 0.336 4.885 4.550 -0.002 0.000 0.349 240 Y C 0.301 176.071 175.900 -0.217 0.000 0.977 240 Y CA -0.678 57.295 58.100 -0.210 0.000 1.214 240 Y CB 0.615 38.960 38.460 -0.191 0.000 1.124 240 Y HN 0.395 nan 8.280 nan 0.000 0.521 241 K N 1.735 122.199 120.400 0.107 0.000 2.326 241 K HA 0.279 4.599 4.320 -0.002 0.000 0.275 241 K C 0.994 177.650 176.600 0.094 0.000 1.018 241 K CA 0.198 56.599 56.287 0.191 0.000 0.962 241 K CB 0.898 33.499 32.500 0.169 0.000 0.953 241 K HN 0.805 nan 8.250 nan 0.000 0.475 242 A N 2.609 125.480 122.820 0.085 0.000 2.186 242 A HA -0.211 4.108 4.320 -0.002 0.000 0.219 242 A C 1.489 179.099 177.584 0.044 0.000 1.159 242 A CA 2.074 54.141 52.037 0.049 0.000 0.680 242 A CB -0.661 18.364 19.000 0.042 0.000 0.787 242 A HN 0.929 nan 8.150 nan 0.000 0.467 243 D N -3.202 117.227 120.400 0.048 0.000 2.249 243 D HA 0.293 4.932 4.640 -0.002 0.000 0.205 243 D C 1.271 177.593 176.300 0.037 0.000 0.962 243 D CA 1.491 55.512 54.000 0.035 0.000 0.860 243 D CB -0.133 40.684 40.800 0.030 0.000 0.955 243 D HN 0.565 nan 8.370 nan 0.000 0.505 244 G N -0.569 108.261 108.800 0.050 0.000 3.006 244 G HA2 -0.189 3.770 3.960 -0.002 0.000 0.195 244 G HA3 -0.189 3.770 3.960 -0.002 0.000 0.195 244 G C 0.142 175.068 174.900 0.044 0.000 1.034 244 G CA -0.129 45.009 45.100 0.063 0.000 0.807 244 G HN 0.357 nan 8.290 nan 0.000 0.469 245 E N 0.753 120.955 120.200 0.004 0.000 2.451 245 E HA 0.494 4.843 4.350 -0.002 0.000 0.256 245 E C 0.375 176.881 176.600 -0.157 0.000 1.294 245 E CA 0.716 57.085 56.400 -0.051 0.000 1.005 245 E CB 0.665 30.349 29.700 -0.026 0.000 0.990 245 E HN 0.661 nan 8.360 nan 0.000 0.505 246 S N -0.825 114.744 115.700 -0.219 0.000 2.533 246 S HA 0.573 5.042 4.470 -0.002 0.000 0.271 246 S C -0.711 173.797 174.600 -0.154 0.000 1.143 246 S CA -1.107 56.883 58.200 -0.350 0.000 0.891 246 S CB 0.508 63.195 63.200 -0.855 0.000 1.105 246 S HN 0.712 nan 8.310 nan 0.000 0.468 247 c N 0.245 118.815 118.600 -0.051 0.000 2.889 247 c HA 0.917 5.486 4.570 -0.002 0.000 0.307 247 c C 0.514 174.609 174.090 0.009 0.000 1.251 247 c CA -0.764 55.551 56.329 -0.023 0.000 1.593 247 c CB 0.899 43.393 42.510 -0.026 0.000 2.104 247 c HN 1.040 nan 8.230 nan 0.000 0.476 248 S N 0.718 116.416 115.700 -0.003 0.000 2.576 248 S HA 0.621 5.090 4.470 -0.002 0.000 0.276 248 S C -0.045 174.562 174.600 0.012 0.000 1.339 248 S CA 0.363 58.571 58.200 0.014 0.000 1.039 248 S CB 0.212 63.416 63.200 0.007 0.000 0.902 248 S HN 2.049 nan 8.310 nan 0.000 0.516 249 A N 3.507 126.349 122.820 0.037 0.000 2.427 249 A HA 0.637 4.956 4.320 -0.002 0.000 0.298 249 A C -0.464 177.147 177.584 0.044 0.000 1.036 249 A CA -0.696 51.357 52.037 0.027 0.000 0.701 249 A CB 1.639 20.665 19.000 0.043 0.000 1.250 249 A HN 0.710 nan 8.150 nan 0.000 0.412 250 S N 3.139 118.865 115.700 0.043 0.000 2.439 250 S HA 0.473 4.942 4.470 -0.002 0.000 0.282 250 S C -0.093 174.539 174.600 0.052 0.000 1.170 250 S CA -0.282 57.946 58.200 0.046 0.000 1.054 250 S CB 0.209 63.434 63.200 0.042 0.000 0.956 250 S HN 0.608 nan 8.310 nan 0.000 0.490 251 M N 4.032 123.666 119.600 0.056 0.000 2.205 251 M HA 0.413 4.892 4.480 -0.002 0.000 0.344 251 M C -0.229 176.111 176.300 0.068 0.000 1.085 251 M CA -0.066 55.271 55.300 0.063 0.000 1.001 251 M CB 1.109 33.759 32.600 0.083 0.000 1.626 251 M HN 0.502 nan 8.290 nan 0.000 0.442 252 M N 2.535 122.121 119.600 -0.023 0.000 2.283 252 M HA 0.400 4.879 4.480 -0.002 0.000 0.314 252 M C -0.868 175.490 176.300 0.096 0.000 1.153 252 M CA -0.408 54.842 55.300 -0.082 0.000 1.084 252 M CB 1.134 33.388 32.600 -0.576 0.000 1.468 252 M HN 0.559 nan 8.290 nan 0.000 0.474 253 Y N 1.272 121.619 120.300 0.078 0.000 2.534 253 Y HA 0.524 5.073 4.550 -0.000 0.000 0.345 253 Y C -1.495 174.501 175.900 0.160 0.000 1.031 253 Y CA -0.695 57.423 58.100 0.029 0.000 1.022 253 Y CB 1.717 40.162 38.460 -0.024 0.000 1.292 253 Y HN 0.727 nan 8.280 nan 0.000 0.459 254 Q N 3.594 122.934 119.800 -0.766 0.000 2.574 254 Q HA 0.343 4.682 4.340 -0.002 0.000 0.265 254 Q C -2.279 173.308 176.000 -0.688 0.000 0.975 254 Q CA -0.941 54.537 55.803 -0.542 0.000 0.923 254 Q CB 1.842 30.345 28.738 -0.391 0.000 1.518 254 Q HN 0.785 nan 8.270 nan 0.000 0.401 255 E N 1.234 121.185 120.200 -0.415 0.000 2.183 255 E HA 0.804 5.153 4.350 -0.002 0.000 0.271 255 E C -0.779 175.737 176.600 -0.140 0.000 0.919 255 E CA -0.457 55.790 56.400 -0.255 0.000 0.781 255 E CB 1.661 31.276 29.700 -0.142 0.000 1.140 255 E HN 0.886 nan 8.360 nan 0.000 0.402 256 G N 2.832 111.576 108.800 -0.093 0.000 2.342 256 G HA2 0.162 4.122 3.960 -0.002 0.000 0.297 256 G HA3 0.162 4.122 3.960 -0.002 0.000 0.297 256 G C -1.496 173.226 174.900 -0.296 0.000 1.313 256 G CA -0.899 44.062 45.100 -0.233 0.000 0.830 256 G HN 0.402 nan 8.290 nan 0.000 0.506 257 K N -0.194 119.905 120.400 -0.502 0.000 2.183 257 K HA 0.672 4.992 4.320 -0.002 0.000 0.274 257 K C -1.434 174.751 176.600 -0.692 0.000 1.009 257 K CA -0.172 55.882 56.287 -0.388 0.000 0.888 257 K CB 1.043 33.395 32.500 -0.247 0.000 1.078 257 K HN 0.283 nan 8.250 nan 0.000 0.459 258 F N 0.602 120.506 119.950 -0.078 0.000 2.631 258 F HA 0.377 4.903 4.527 -0.002 0.000 0.308 258 F C 0.103 175.912 175.800 0.015 0.000 1.097 258 F CA -1.057 56.910 58.000 -0.054 0.000 0.952 258 F CB 1.421 40.365 39.000 -0.093 0.000 1.307 258 F HN 0.198 nan 8.300 nan 0.000 0.450 259 R N 1.510 122.149 120.500 0.233 0.000 2.442 259 R HA 0.381 4.720 4.340 -0.002 0.000 0.291 259 R C -1.469 174.966 176.300 0.226 0.000 1.069 259 R CA -0.147 56.053 56.100 0.167 0.000 1.022 259 R CB 0.622 30.993 30.300 0.118 0.000 0.976 259 R HN 0.687 nan 8.270 nan 0.000 0.443 260 Y N 1.202 121.522 120.300 0.034 0.000 2.656 260 Y HA 0.538 5.088 4.550 -0.001 0.000 0.334 260 Y C -1.641 174.248 175.900 -0.018 0.000 1.179 260 Y CA -1.264 56.833 58.100 -0.004 0.000 1.050 260 Y CB 1.833 40.290 38.460 -0.005 0.000 1.308 260 Y HN 0.556 nan 8.280 nan 0.000 0.456 261 R N 2.938 122.648 120.500 -1.316 0.000 2.633 261 R HA 0.357 4.696 4.340 -0.002 0.000 0.256 261 R C -2.216 173.484 176.300 -1.001 0.000 1.131 261 R CA -0.651 54.866 56.100 -0.972 0.000 0.994 261 R CB 1.286 31.349 30.300 -0.395 0.000 1.261 261 R HN 0.863 nan 8.270 nan 0.000 0.446 262 R N 4.100 124.208 120.500 -0.654 0.000 2.229 262 R HA 0.587 4.926 4.340 -0.002 0.000 0.328 262 R C -0.246 175.933 176.300 -0.202 0.000 1.009 262 R CA -0.432 55.478 56.100 -0.316 0.000 0.864 262 R CB 0.831 31.082 30.300 -0.082 0.000 1.085 262 R HN 0.503 nan 8.270 nan 0.000 0.453 263 V N 1.162 120.971 119.914 -0.175 0.000 3.417 263 V HA 0.561 4.680 4.120 -0.002 0.000 0.297 263 V C 1.294 177.390 176.094 0.003 0.000 1.271 263 V CA -0.061 62.197 62.300 -0.069 0.000 1.012 263 V CB 0.599 32.400 31.823 -0.037 0.000 1.241 263 V HN 0.834 nan 8.190 nan 0.000 0.477 264 A N -0.565 122.301 122.820 0.077 0.000 2.334 264 A HA -0.285 4.034 4.320 -0.002 0.000 0.219 264 A C 1.210 178.830 177.584 0.060 0.000 1.221 264 A CA 2.769 54.859 52.037 0.087 0.000 0.696 264 A CB -1.249 17.841 19.000 0.150 0.000 0.839 264 A HN 1.359 nan 8.150 nan 0.000 0.513 265 E N -4.651 115.571 120.200 0.036 0.000 2.825 265 E HA 0.257 4.606 4.350 -0.002 0.000 0.118 265 E C 0.568 177.177 176.600 0.015 0.000 0.893 265 E CA 0.557 56.974 56.400 0.028 0.000 1.519 265 E CB -1.028 28.697 29.700 0.041 0.000 0.905 265 E HN 1.400 nan 8.360 nan 0.000 0.343 266 G N 0.275 109.075 108.800 0.001 0.000 2.176 266 G HA2 -0.253 3.706 3.960 -0.002 0.000 0.232 266 G HA3 -0.253 3.706 3.960 -0.002 0.000 0.232 266 G C 0.382 175.269 174.900 -0.021 0.000 0.986 266 G CA 0.238 45.336 45.100 -0.004 0.000 0.643 266 G HN 0.280 nan 8.290 nan 0.000 0.522 267 T N 1.447 115.974 114.554 -0.046 0.000 2.901 267 T HA 0.498 4.848 4.350 -0.002 0.000 0.301 267 T C 0.323 174.918 174.700 -0.176 0.000 1.012 267 T CA 0.437 62.474 62.100 -0.105 0.000 1.135 267 T CB 1.166 69.952 68.868 -0.137 0.000 0.936 267 T HN 0.406 nan 8.240 nan 0.000 0.539 268 Q N 1.505 121.210 119.800 -0.158 0.000 2.309 268 Q HA 0.636 4.975 4.340 -0.002 0.000 0.264 268 Q C -1.204 174.651 176.000 -0.241 0.000 1.008 268 Q CA -0.805 54.914 55.803 -0.141 0.000 0.853 268 Q CB 2.159 30.956 28.738 0.098 0.000 1.314 268 Q HN 0.370 nan 8.270 nan 0.000 0.448 269 V N 3.527 123.250 119.914 -0.318 0.000 2.409 269 V HA 0.375 4.494 4.120 -0.002 0.000 0.290 269 V C -1.215 174.826 176.094 -0.087 0.000 1.017 269 V CA -0.685 61.445 62.300 -0.283 0.000 0.841 269 V CB 1.485 33.040 31.823 -0.447 0.000 1.003 269 V HN 0.543 nan 8.190 nan 0.000 0.426 270 L N 4.096 125.330 121.223 0.019 0.000 2.346 270 L HA 0.697 5.036 4.340 -0.002 0.000 0.276 270 L C -0.351 176.542 176.870 0.038 0.000 1.006 270 L CA 0.020 54.904 54.840 0.072 0.000 0.817 270 L CB 1.858 43.909 42.059 -0.014 0.000 1.272 270 L HN 0.763 nan 8.230 nan 0.000 0.421 271 E N 4.907 125.145 120.200 0.063 0.000 2.165 271 E HA 0.453 4.802 4.350 -0.002 0.000 0.266 271 E C -1.731 174.921 176.600 0.088 0.000 0.889 271 E CA -0.591 55.867 56.400 0.096 0.000 0.756 271 E CB 1.131 30.906 29.700 0.126 0.000 1.131 271 E HN 0.698 nan 8.360 nan 0.000 0.411 272 L N 7.335 128.595 121.223 0.061 0.000 2.295 272 L HA 0.463 4.802 4.340 -0.002 0.000 0.281 272 L C -2.156 174.775 176.870 0.102 0.000 1.018 272 L CA -1.987 52.861 54.840 0.013 0.000 0.841 272 L CB 1.231 43.132 42.059 -0.263 0.000 1.218 272 L HN 0.377 nan 8.230 nan 0.000 0.424 273 P HA 0.272 nan 4.420 nan 0.000 0.281 273 P C -0.993 176.354 177.300 0.079 0.000 1.249 273 P CA -0.275 62.913 63.100 0.147 0.000 0.810 273 P CB 1.081 32.884 31.700 0.171 0.000 1.008 274 F N 0.257 120.404 119.950 0.329 0.000 2.440 274 F HA 0.349 4.876 4.527 -0.001 0.000 0.328 274 F C 1.459 177.379 175.800 0.200 0.000 1.070 274 F CA -0.816 57.351 58.000 0.278 0.000 1.011 274 F CB 0.797 39.953 39.000 0.259 0.000 1.226 274 F HN 0.072 nan 8.300 nan 0.000 0.491 275 K N 1.477 122.080 120.400 0.338 0.000 2.366 275 K HA 0.216 4.535 4.320 -0.002 0.000 0.272 275 K C 0.706 177.429 176.600 0.204 0.000 1.151 275 K CA 1.095 57.511 56.287 0.215 0.000 1.173 275 K CB -0.557 32.040 32.500 0.161 0.000 0.853 275 K HN 0.959 nan 8.250 nan 0.000 0.473 276 G N 2.505 111.409 108.800 0.174 0.000 3.288 276 G HA2 -0.199 3.760 3.960 -0.002 0.000 0.195 276 G HA3 -0.199 3.760 3.960 -0.002 0.000 0.195 276 G C 0.141 175.131 174.900 0.150 0.000 1.093 276 G CA 0.018 45.210 45.100 0.152 0.000 0.852 276 G HN 0.703 nan 8.290 nan 0.000 0.453 277 D N 0.685 121.201 120.400 0.192 0.000 2.748 277 D HA -0.171 4.468 4.640 -0.002 0.000 0.189 277 D C 1.078 177.479 176.300 0.169 0.000 0.982 277 D CA 1.706 55.810 54.000 0.173 0.000 1.017 277 D CB -1.381 39.491 40.800 0.120 0.000 1.076 277 D HN 0.649 nan 8.370 nan 0.000 0.446 278 D N 0.861 121.362 120.400 0.168 0.000 2.289 278 D HA 0.010 4.649 4.640 -0.002 0.000 0.207 278 D C 1.170 177.567 176.300 0.163 0.000 0.966 278 D CA 0.457 54.542 54.000 0.141 0.000 0.868 278 D CB 0.411 41.281 40.800 0.117 0.000 0.943 278 D HN 0.358 nan 8.370 nan 0.000 0.514 279 I N 0.922 121.632 120.570 0.232 0.000 2.436 279 I HA 0.297 4.466 4.170 -0.002 0.000 0.289 279 I C -0.462 175.940 176.117 0.476 0.000 1.010 279 I CA -0.539 60.912 61.300 0.252 0.000 1.098 279 I CB 2.186 40.296 38.000 0.183 0.000 1.266 279 I HN -0.109 nan 8.210 nan 0.000 0.434 280 T N 3.380 118.190 114.554 0.426 0.000 2.900 280 T HA 0.570 4.920 4.350 -0.002 0.000 0.303 280 T C -0.744 174.252 174.700 0.494 0.000 1.142 280 T CA -0.862 61.535 62.100 0.493 0.000 1.007 280 T CB 2.052 71.096 68.868 0.293 0.000 1.156 280 T HN 0.555 nan 8.240 nan 0.000 0.490 281 M N 2.992 122.909 119.600 0.527 0.000 2.264 281 M HA 0.682 5.161 4.480 -0.002 0.000 0.352 281 M C -1.662 174.852 176.300 0.356 0.000 1.173 281 M CA -0.615 54.989 55.300 0.507 0.000 1.075 281 M CB 1.023 34.002 32.600 0.632 0.000 1.621 281 M HN 0.607 nan 8.290 nan 0.000 0.457 282 V N 6.476 126.613 119.914 0.371 0.000 2.487 282 V HA 0.489 4.608 4.120 -0.002 0.000 0.298 282 V C -0.409 175.894 176.094 0.348 0.000 1.028 282 V CA -0.720 61.752 62.300 0.288 0.000 0.860 282 V CB 1.811 33.766 31.823 0.220 0.000 0.991 282 V HN 0.825 nan 8.190 nan 0.000 0.427 283 L N 5.643 127.002 121.223 0.226 0.000 2.334 283 L HA 0.687 5.027 4.340 -0.002 0.000 0.272 283 L C -0.744 176.209 176.870 0.139 0.000 1.020 283 L CA -0.644 54.339 54.840 0.239 0.000 0.812 283 L CB 1.967 44.081 42.059 0.093 0.000 1.264 283 L HN 0.455 nan 8.230 nan 0.000 0.439 284 I N 3.893 124.571 120.570 0.179 0.000 2.534 284 I HA 0.345 4.514 4.170 -0.002 0.000 0.286 284 I C -1.007 175.164 176.117 0.090 0.000 1.094 284 I CA -0.390 60.926 61.300 0.026 0.000 1.055 284 I CB 1.871 39.883 38.000 0.020 0.000 1.225 284 I HN 0.388 nan 8.210 nan 0.000 0.435 285 L N 6.212 127.443 121.223 0.013 0.000 2.409 285 L HA 0.755 5.094 4.340 -0.002 0.000 0.272 285 L C -2.773 174.101 176.870 0.007 0.000 0.980 285 L CA -1.883 52.990 54.840 0.055 0.000 0.826 285 L CB 1.809 43.889 42.059 0.035 0.000 1.268 285 L HN 0.207 nan 8.230 nan 0.000 0.407 286 P HA 0.023 nan 4.420 nan 0.000 0.274 286 P C -0.292 177.017 177.300 0.015 0.000 1.237 286 P CA -0.366 62.745 63.100 0.019 0.000 0.793 286 P CB 1.278 33.004 31.700 0.043 0.000 0.977 287 K N 3.259 123.664 120.400 0.008 0.000 2.543 287 K HA -0.056 4.263 4.320 -0.002 0.000 0.279 287 K C -1.715 174.889 176.600 0.007 0.000 1.001 287 K CA 0.026 56.317 56.287 0.006 0.000 1.088 287 K CB -1.256 31.248 32.500 0.007 0.000 0.863 287 K HN 0.415 nan 8.250 nan 0.000 0.488 288 P HA -0.250 nan 4.420 nan 0.000 0.218 288 P C 1.599 178.895 177.300 -0.007 0.000 1.152 288 P CA 2.455 65.552 63.100 -0.006 0.000 0.857 288 P CB 0.013 31.702 31.700 -0.017 0.000 0.787 289 E N -0.173 120.023 120.200 -0.006 0.000 2.051 289 E HA -0.085 4.264 4.350 -0.002 0.000 0.192 289 E C 1.502 178.102 176.600 0.001 0.000 0.991 289 E CA 1.827 58.224 56.400 -0.006 0.000 0.799 289 E CB -1.463 28.234 29.700 -0.005 0.000 0.748 289 E HN 0.425 nan 8.360 nan 0.000 0.449 290 K N 0.327 120.732 120.400 0.009 0.000 2.525 290 K HA 0.614 4.933 4.320 -0.002 0.000 0.262 290 K C 0.764 177.378 176.600 0.023 0.000 1.049 290 K CA 0.200 56.498 56.287 0.017 0.000 0.961 290 K CB 0.260 32.775 32.500 0.024 0.000 1.258 290 K HN 1.028 nan 8.250 nan 0.000 0.501 291 S N -1.824 113.895 115.700 0.032 0.000 2.661 291 S HA 0.540 5.009 4.470 -0.002 0.000 0.285 291 S C 0.733 175.367 174.600 0.055 0.000 1.138 291 S CA -0.739 57.485 58.200 0.040 0.000 0.855 291 S CB 1.108 64.326 63.200 0.030 0.000 1.136 291 S HN 0.382 nan 8.310 nan 0.000 0.484 292 L N 1.409 122.672 121.223 0.066 0.000 2.046 292 L HA 0.007 4.346 4.340 -0.002 0.000 0.208 292 L C 3.079 179.999 176.870 0.084 0.000 1.077 292 L CA 2.388 57.281 54.840 0.088 0.000 0.747 292 L CB -2.424 39.694 42.059 0.098 0.000 0.896 292 L HN 1.044 nan 8.230 nan 0.000 0.432 293 A N 0.269 123.124 122.820 0.059 0.000 1.827 293 A HA -0.440 3.879 4.320 -0.002 0.000 0.262 293 A C 2.461 180.073 177.584 0.047 0.000 2.408 293 A CA 3.159 55.220 52.037 0.041 0.000 0.827 293 A CB -1.053 17.960 19.000 0.022 0.000 0.840 293 A HN 0.459 nan 8.150 nan 0.000 0.513 294 K N -1.068 119.362 120.400 0.050 0.000 2.147 294 K HA -0.045 4.274 4.320 -0.002 0.000 0.205 294 K C 1.819 178.467 176.600 0.080 0.000 1.049 294 K CA 1.497 57.815 56.287 0.052 0.000 0.936 294 K CB -0.243 32.286 32.500 0.049 0.000 0.722 294 K HN 0.331 nan 8.250 nan 0.000 0.446 295 V N 1.614 121.599 119.914 0.118 0.000 2.379 295 V HA -0.185 3.934 4.120 -0.002 0.000 0.245 295 V C 1.902 178.094 176.094 0.163 0.000 1.044 295 V CA 1.827 64.238 62.300 0.185 0.000 1.036 295 V CB -0.371 31.597 31.823 0.242 0.000 0.664 295 V HN 0.374 nan 8.190 nan 0.000 0.453 296 E N 0.125 120.414 120.200 0.147 0.000 2.110 296 E HA -0.217 4.132 4.350 -0.002 0.000 0.193 296 E C 2.373 179.029 176.600 0.094 0.000 0.988 296 E CA 1.450 57.948 56.400 0.163 0.000 0.804 296 E CB -0.199 29.628 29.700 0.211 0.000 0.745 296 E HN 0.399 nan 8.360 nan 0.000 0.458 297 K N 1.113 121.543 120.400 0.051 0.000 2.209 297 K HA -0.146 4.173 4.320 -0.002 0.000 0.204 297 K C 1.257 177.852 176.600 -0.009 0.000 1.048 297 K CA 1.299 57.588 56.287 0.003 0.000 0.940 297 K CB -0.176 32.321 32.500 -0.004 0.000 0.729 297 K HN 0.283 nan 8.250 nan 0.000 0.451 298 E N -0.467 119.737 120.200 0.006 0.000 2.526 298 E HA 0.154 4.503 4.350 -0.002 0.000 0.208 298 E C -0.322 176.234 176.600 -0.073 0.000 0.997 298 E CA -0.355 56.025 56.400 -0.033 0.000 0.961 298 E CB 0.438 30.122 29.700 -0.027 0.000 1.030 298 E HN 0.189 nan 8.360 nan 0.000 0.483 299 L N 2.605 123.810 121.223 -0.031 0.000 2.534 299 L HA 0.093 4.432 4.340 -0.002 0.000 0.271 299 L C -0.028 176.794 176.870 -0.081 0.000 1.178 299 L CA 0.945 55.751 54.840 -0.056 0.000 0.907 299 L CB 0.275 42.367 42.059 0.055 0.000 1.164 299 L HN 0.023 nan 8.230 nan 0.000 0.482 300 T N 1.735 116.199 114.554 -0.151 0.000 2.821 300 T HA 0.521 4.870 4.350 -0.002 0.000 0.306 300 T C -2.361 172.242 174.700 -0.162 0.000 1.313 300 T CA -1.259 60.763 62.100 -0.129 0.000 1.012 300 T CB 1.570 70.359 68.868 -0.132 0.000 1.298 300 T HN 0.268 nan 8.240 nan 0.000 0.502 301 P HA -0.093 nan 4.420 nan 0.000 0.216 301 P C 1.548 178.751 177.300 -0.161 0.000 1.150 301 P CA 1.057 64.074 63.100 -0.138 0.000 0.837 301 P CB 0.138 31.766 31.700 -0.121 0.000 0.786 302 E N -0.405 119.702 120.200 -0.156 0.000 2.047 302 E HA -0.096 4.253 4.350 -0.002 0.000 0.191 302 E C 2.074 178.544 176.600 -0.217 0.000 0.987 302 E CA 1.132 57.444 56.400 -0.147 0.000 0.799 302 E CB -1.564 28.066 29.700 -0.117 0.000 0.752 302 E HN 0.095 nan 8.360 nan 0.000 0.449 303 V N 2.191 121.919 119.914 -0.310 0.000 2.295 303 V HA -0.228 3.891 4.120 -0.002 0.000 0.246 303 V C 2.620 178.287 176.094 -0.712 0.000 1.049 303 V CA 1.614 63.593 62.300 -0.536 0.000 1.024 303 V CB -0.596 30.857 31.823 -0.618 0.000 0.648 303 V HN 0.183 nan 8.190 nan 0.000 0.447 304 L N -0.346 120.563 121.223 -0.524 0.000 2.046 304 L HA -0.234 4.105 4.340 -0.002 0.000 0.208 304 L C 2.637 179.414 176.870 -0.156 0.000 1.077 304 L CA 1.938 56.566 54.840 -0.353 0.000 0.747 304 L CB -0.222 41.646 42.059 -0.318 0.000 0.896 304 L HN 0.393 nan 8.230 nan 0.000 0.432 305 Q N 0.282 119.994 119.800 -0.146 0.000 2.119 305 Q HA -0.281 4.058 4.340 -0.002 0.000 0.201 305 Q C 1.912 177.894 176.000 -0.030 0.000 0.972 305 Q CA 2.033 57.801 55.803 -0.058 0.000 0.847 305 Q CB -0.077 28.636 28.738 -0.043 0.000 0.903 305 Q HN 0.538 nan 8.270 nan 0.000 0.433 306 E N -1.145 118.999 120.200 -0.093 0.000 2.058 306 E HA -0.196 4.153 4.350 -0.002 0.000 0.194 306 E C 1.364 177.999 176.600 0.058 0.000 0.997 306 E CA 1.486 57.851 56.400 -0.058 0.000 0.801 306 E CB -0.233 29.380 29.700 -0.146 0.000 0.746 306 E HN 0.469 nan 8.360 nan 0.000 0.450 307 W N 0.847 122.110 121.300 -0.063 0.000 2.335 307 W HA -0.179 4.481 4.660 -0.001 0.000 0.311 307 W C 2.190 178.671 176.519 -0.064 0.000 1.213 307 W CA 0.812 58.115 57.345 -0.071 0.000 1.274 307 W CB -1.156 28.251 29.460 -0.088 0.000 1.148 307 W HN 0.226 nan 8.180 nan 0.000 0.498 308 L N -0.030 121.309 121.223 0.193 0.000 2.042 308 L HA -0.249 4.090 4.340 -0.002 0.000 0.210 308 L C 1.975 178.889 176.870 0.074 0.000 1.076 308 L CA 1.543 56.444 54.840 0.101 0.000 0.749 308 L CB -0.964 41.134 42.059 0.066 0.000 0.893 308 L HN -0.121 nan 8.230 nan 0.000 0.432 309 D N -0.223 120.216 120.400 0.067 0.000 2.309 309 D HA -0.158 4.481 4.640 -0.002 0.000 0.212 309 D C 1.914 178.240 176.300 0.044 0.000 0.968 309 D CA 0.974 55.003 54.000 0.048 0.000 0.882 309 D CB 0.054 40.876 40.800 0.036 0.000 0.918 309 D HN 0.477 nan 8.370 nan 0.000 0.503 310 E N -0.270 119.962 120.200 0.054 0.000 2.400 310 E HA 0.094 4.443 4.350 -0.002 0.000 0.195 310 E C 0.466 177.068 176.600 0.004 0.000 1.012 310 E CA -0.211 56.208 56.400 0.032 0.000 0.875 310 E CB 0.477 30.203 29.700 0.044 0.000 0.859 310 E HN 0.226 nan 8.360 nan 0.000 0.498 311 L N 2.706 123.935 121.223 0.010 0.000 2.615 311 L HA -0.002 4.337 4.340 -0.002 0.000 0.271 311 L C 0.262 177.145 176.870 0.021 0.000 1.183 311 L CA 0.318 55.157 54.840 -0.001 0.000 0.933 311 L CB -0.130 41.945 42.059 0.027 0.000 1.199 311 L HN -0.015 nan 8.230 nan 0.000 0.487 312 E N 2.971 123.184 120.200 0.021 0.000 2.207 312 E HA 0.212 4.561 4.350 -0.002 0.000 0.270 312 E C -0.525 176.116 176.600 0.069 0.000 0.927 312 E CA -0.655 55.767 56.400 0.038 0.000 0.799 312 E CB 1.371 31.088 29.700 0.029 0.000 1.172 312 E HN 0.458 nan 8.360 nan 0.000 0.404 313 E N 3.059 123.292 120.200 0.055 0.000 2.373 313 E HA 0.289 4.638 4.350 -0.002 0.000 0.267 313 E C -0.730 175.907 176.600 0.063 0.000 1.032 313 E CA 0.001 56.433 56.400 0.054 0.000 0.889 313 E CB 0.590 30.299 29.700 0.015 0.000 0.984 313 E HN 0.510 nan 8.360 nan 0.000 0.425 314 M N 3.532 123.174 119.600 0.070 0.000 2.732 314 M HA 0.264 4.743 4.480 -0.002 0.000 0.272 314 M C -1.780 174.527 176.300 0.012 0.000 1.203 314 M CA -0.822 54.512 55.300 0.057 0.000 0.841 314 M CB 1.965 34.639 32.600 0.124 0.000 1.685 314 M HN 0.473 nan 8.290 nan 0.000 0.492 315 M N 5.031 124.622 119.600 -0.016 0.000 2.108 315 M HA 0.563 5.043 4.480 -0.002 0.000 0.354 315 M C -1.154 175.108 176.300 -0.063 0.000 1.229 315 M CA -0.382 54.891 55.300 -0.045 0.000 1.081 315 M CB 0.447 33.019 32.600 -0.046 0.000 1.606 315 M HN 0.694 nan 8.290 nan 0.000 0.467 316 L N 2.006 123.188 121.223 -0.069 0.000 2.630 316 L HA 0.792 5.131 4.340 -0.002 0.000 0.258 316 L C -1.637 175.143 176.870 -0.150 0.000 1.072 316 L CA -1.005 53.751 54.840 -0.141 0.000 0.885 316 L CB 1.933 43.821 42.059 -0.285 0.000 1.502 316 L HN 0.243 nan 8.230 nan 0.000 0.406 317 V N 1.509 121.297 119.914 -0.210 0.000 2.435 317 V HA 0.549 4.668 4.120 -0.002 0.000 0.290 317 V C -0.096 175.774 176.094 -0.374 0.000 1.030 317 V CA -0.447 61.660 62.300 -0.320 0.000 0.881 317 V CB 1.811 33.488 31.823 -0.243 0.000 0.983 317 V HN 0.510 nan 8.190 nan 0.000 0.445 318 V N 4.605 124.221 119.914 -0.497 0.000 2.448 318 V HA 0.469 4.588 4.120 -0.002 0.000 0.295 318 V C -0.783 175.083 176.094 -0.379 0.000 1.025 318 V CA -0.689 61.368 62.300 -0.406 0.000 0.859 318 V CB 1.423 32.967 31.823 -0.466 0.000 0.988 318 V HN 0.920 nan 8.190 nan 0.000 0.431 319 H N 5.567 124.546 119.070 -0.153 0.000 2.646 319 H HA 0.753 5.308 4.556 -0.002 0.000 0.328 319 H C -0.120 175.114 175.328 -0.157 0.000 0.998 319 H CA -0.405 55.594 56.048 -0.083 0.000 1.225 319 H CB 1.568 31.315 29.762 -0.026 0.000 1.457 319 H HN 0.772 nan 8.280 nan 0.000 0.505 320 M N 2.969 122.519 119.600 -0.084 0.000 2.484 320 M HA 0.599 5.078 4.480 -0.002 0.000 0.289 320 M C -3.227 173.022 176.300 -0.085 0.000 1.206 320 M CA -2.226 52.984 55.300 -0.150 0.000 0.892 320 M CB 3.332 35.805 32.600 -0.212 0.000 1.712 320 M HN 0.190 nan 8.290 nan 0.000 0.462 321 P HA 0.092 nan 4.420 nan 0.000 0.271 321 P C -1.407 176.091 177.300 0.330 0.000 1.218 321 P CA -0.069 63.117 63.100 0.143 0.000 0.780 321 P CB 0.738 32.481 31.700 0.072 0.000 0.901 322 R N 3.712 124.337 120.500 0.208 0.000 2.233 322 R HA 0.414 4.753 4.340 -0.002 0.000 0.334 322 R C -0.746 175.673 176.300 0.198 0.000 1.037 322 R CA -0.366 55.807 56.100 0.121 0.000 0.920 322 R CB -0.403 29.918 30.300 0.035 0.000 1.137 322 R HN 0.495 nan 8.270 nan 0.000 0.492 323 F N 1.082 121.004 119.950 -0.046 0.000 2.869 323 F HA 0.614 5.140 4.527 -0.002 0.000 0.325 323 F C -1.604 174.107 175.800 -0.148 0.000 1.184 323 F CA -1.677 56.270 58.000 -0.088 0.000 0.951 323 F CB 0.953 39.896 39.000 -0.095 0.000 1.421 323 F HN 0.361 nan 8.300 nan 0.000 0.501 324 R N 1.875 122.278 120.500 -0.162 0.000 2.549 324 R HA 0.697 5.036 4.340 -0.002 0.000 0.291 324 R C -2.030 174.138 176.300 -0.219 0.000 1.164 324 R CA -0.683 55.176 56.100 -0.402 0.000 0.973 324 R CB 1.308 31.369 30.300 -0.397 0.000 1.210 324 R HN 0.989 nan 8.270 nan 0.000 0.422 325 I N -0.969 119.441 120.570 -0.267 0.000 2.525 325 I HA 0.631 4.800 4.170 -0.002 0.000 0.301 325 I C -0.731 175.255 176.117 -0.219 0.000 0.992 325 I CA -0.927 60.282 61.300 -0.152 0.000 1.162 325 I CB 2.227 40.197 38.000 -0.049 0.000 1.332 325 I HN 0.648 nan 8.210 nan 0.000 0.458 326 E N 2.704 122.881 120.200 -0.037 0.000 2.248 326 E HA 0.424 4.773 4.350 -0.002 0.000 0.267 326 E C -1.754 174.950 176.600 0.174 0.000 0.877 326 E CA -0.648 55.801 56.400 0.082 0.000 0.759 326 E CB 2.487 32.255 29.700 0.113 0.000 1.182 326 E HN 0.625 nan 8.360 nan 0.000 0.418 327 D N 1.389 121.956 120.400 0.279 0.000 2.855 327 D HA 0.461 5.100 4.640 -0.002 0.000 0.241 327 D C -1.225 175.283 176.300 0.347 0.000 1.277 327 D CA -0.332 53.880 54.000 0.354 0.000 0.918 327 D CB 1.656 42.741 40.800 0.474 0.000 1.462 327 D HN 0.505 nan 8.370 nan 0.000 0.559 328 G N 1.823 110.812 108.800 0.315 0.000 2.542 328 G HA2 0.759 4.718 3.960 -0.002 0.000 0.311 328 G HA3 0.759 4.718 3.960 -0.002 0.000 0.311 328 G C -1.099 173.997 174.900 0.327 0.000 1.298 328 G CA -0.790 44.407 45.100 0.163 0.000 0.973 328 G HN 0.408 nan 8.290 nan 0.000 0.487 329 F N -0.704 119.419 119.950 0.289 0.000 2.926 329 F HA 0.787 5.313 4.527 -0.002 0.000 0.321 329 F C -0.553 175.467 175.800 0.365 0.000 1.168 329 F CA -1.503 56.669 58.000 0.286 0.000 0.890 329 F CB 1.328 40.463 39.000 0.226 0.000 1.357 329 F HN 0.571 nan 8.300 nan 0.000 0.468 330 S N 0.347 116.390 115.700 0.572 0.000 2.489 330 S HA 0.611 5.080 4.470 -0.002 0.000 0.291 330 S C 0.109 174.940 174.600 0.384 0.000 1.151 330 S CA -0.730 57.667 58.200 0.328 0.000 1.082 330 S CB 0.929 64.231 63.200 0.171 0.000 1.019 330 S HN 0.727 nan 8.310 nan 0.000 0.492 331 L N 4.543 125.941 121.223 0.292 0.000 2.529 331 L HA 0.248 4.587 4.340 -0.002 0.000 0.223 331 L C 2.408 179.362 176.870 0.140 0.000 1.113 331 L CA 0.081 55.144 54.840 0.371 0.000 0.861 331 L CB -0.315 41.977 42.059 0.389 0.000 1.012 331 L HN 0.691 nan 8.230 nan 0.000 0.461 332 K N 1.291 121.634 120.400 -0.096 0.000 2.000 332 K HA -0.317 4.002 4.320 -0.002 0.000 0.218 332 K C 2.013 178.367 176.600 -0.409 0.000 1.053 332 K CA 2.385 58.330 56.287 -0.570 0.000 0.946 332 K CB -0.063 32.087 32.500 -0.584 0.000 0.723 332 K HN 0.302 nan 8.250 nan 0.000 0.446 333 E N -0.085 119.989 120.200 -0.211 0.000 2.021 333 E HA -0.295 4.054 4.350 -0.002 0.000 0.200 333 E C 2.150 178.669 176.600 -0.134 0.000 1.015 333 E CA 2.009 58.318 56.400 -0.152 0.000 0.824 333 E CB -0.032 29.611 29.700 -0.096 0.000 0.762 333 E HN 0.294 nan 8.360 nan 0.000 0.454 334 Q N 0.523 120.256 119.800 -0.112 0.000 2.061 334 Q HA -0.126 4.213 4.340 -0.002 0.000 0.204 334 Q C 2.312 178.215 176.000 -0.161 0.000 0.984 334 Q CA 1.408 57.105 55.803 -0.176 0.000 0.846 334 Q CB -0.357 28.219 28.738 -0.270 0.000 0.902 334 Q HN 0.380 nan 8.270 nan 0.000 0.421 335 L N 0.045 121.274 121.223 0.010 0.000 2.083 335 L HA -0.268 4.071 4.340 -0.002 0.000 0.209 335 L C 2.429 179.319 176.870 0.032 0.000 1.083 335 L CA 1.343 56.223 54.840 0.067 0.000 0.752 335 L CB -0.367 41.825 42.059 0.220 0.000 0.899 335 L HN 0.359 nan 8.230 nan 0.000 0.433 336 Q N -0.232 119.556 119.800 -0.020 0.000 2.020 336 Q HA -0.227 4.112 4.340 -0.002 0.000 0.202 336 Q C 1.901 177.867 176.000 -0.056 0.000 0.982 336 Q CA 1.763 57.566 55.803 -0.000 0.000 0.838 336 Q CB -0.099 28.593 28.738 -0.078 0.000 0.899 336 Q HN 0.435 nan 8.270 nan 0.000 0.423 337 D N 0.270 120.591 120.400 -0.132 0.000 2.158 337 D HA -0.189 4.450 4.640 -0.002 0.000 0.197 337 D C 1.602 177.750 176.300 -0.254 0.000 0.995 337 D CA 1.273 55.170 54.000 -0.172 0.000 0.846 337 D CB -0.127 40.550 40.800 -0.205 0.000 0.941 337 D HN 0.265 nan 8.370 nan 0.000 0.456 338 M N -1.014 118.367 119.600 -0.365 0.000 2.630 338 M HA 0.015 4.494 4.480 -0.002 0.000 0.254 338 M C 0.977 177.208 176.300 -0.115 0.000 1.092 338 M CA 0.958 56.063 55.300 -0.326 0.000 1.087 338 M CB 0.430 32.835 32.600 -0.325 0.000 1.453 338 M HN 0.221 nan 8.290 nan 0.000 0.509 339 G N 0.484 109.252 108.800 -0.053 0.000 2.205 339 G HA2 -0.169 3.791 3.960 -0.002 0.000 0.180 339 G HA3 -0.169 3.791 3.960 -0.002 0.000 0.180 339 G C -0.357 174.577 174.900 0.057 0.000 1.004 339 G CA -0.592 44.511 45.100 0.004 0.000 0.670 339 G HN 0.283 nan 8.290 nan 0.000 0.496 340 L N 2.822 124.109 121.223 0.106 0.000 2.397 340 L HA 0.624 4.963 4.340 -0.002 0.000 0.263 340 L C 1.545 178.594 176.870 0.299 0.000 1.136 340 L CA 0.263 55.226 54.840 0.205 0.000 1.019 340 L CB 0.946 43.187 42.059 0.304 0.000 1.352 340 L HN 0.480 nan 8.230 nan 0.000 0.420 341 V N -0.578 119.455 119.914 0.198 0.000 2.690 341 V HA 0.135 4.254 4.120 -0.002 0.000 0.240 341 V C 1.594 177.805 176.094 0.195 0.000 1.078 341 V CA 0.689 63.113 62.300 0.207 0.000 1.102 341 V CB -0.453 31.436 31.823 0.111 0.000 0.800 341 V HN 0.447 nan 8.190 nan 0.000 0.479 342 D N 1.133 121.600 120.400 0.112 0.000 2.104 342 D HA -0.182 4.457 4.640 -0.002 0.000 0.194 342 D C 1.961 178.296 176.300 0.059 0.000 0.994 342 D CA 1.969 56.014 54.000 0.075 0.000 0.830 342 D CB -0.472 40.352 40.800 0.040 0.000 0.959 342 D HN 0.418 nan 8.370 nan 0.000 0.452 343 L N -0.526 120.686 121.223 -0.018 0.000 2.129 343 L HA -0.167 4.172 4.340 -0.002 0.000 0.212 343 L C 1.279 178.026 176.870 -0.204 0.000 1.087 343 L CA 1.567 56.301 54.840 -0.177 0.000 0.757 343 L CB -0.282 41.565 42.059 -0.354 0.000 0.896 343 L HN 0.004 nan 8.230 nan 0.000 0.434 344 F N -1.972 118.067 119.950 0.148 0.000 2.727 344 F HA 0.279 4.805 4.527 -0.002 0.000 0.302 344 F C 1.367 177.285 175.800 0.196 0.000 1.097 344 F CA -0.030 58.079 58.000 0.183 0.000 1.330 344 F CB -0.295 38.785 39.000 0.133 0.000 1.084 344 F HN -0.073 nan 8.300 nan 0.000 0.578 345 S N 1.461 117.315 115.700 0.257 0.000 2.430 345 S HA 0.240 4.709 4.470 -0.002 0.000 0.289 345 S C -1.713 172.890 174.600 0.004 0.000 1.143 345 S CA -1.530 56.738 58.200 0.113 0.000 1.067 345 S CB 0.881 64.128 63.200 0.079 0.000 0.964 345 S HN -0.127 nan 8.310 nan 0.000 0.485 346 P HA -0.027 nan 4.420 nan 0.000 0.228 346 P C 0.359 177.543 177.300 -0.194 0.000 1.151 346 P CA 0.867 63.647 63.100 -0.535 0.000 0.770 346 P CB 0.269 31.512 31.700 -0.763 0.000 0.786 347 E N -0.923 119.217 120.200 -0.101 0.000 2.162 347 E HA 0.030 4.379 4.350 -0.002 0.000 0.193 347 E C 1.634 178.227 176.600 -0.012 0.000 0.953 347 E CA 0.957 57.327 56.400 -0.049 0.000 0.849 347 E CB -0.276 29.401 29.700 -0.038 0.000 0.810 347 E HN 0.217 nan 8.360 nan 0.000 0.470 348 K N 0.386 120.790 120.400 0.007 0.000 2.276 348 K HA 0.217 4.536 4.320 -0.002 0.000 0.198 348 K C 0.820 177.438 176.600 0.030 0.000 1.052 348 K CA 0.136 56.435 56.287 0.020 0.000 0.984 348 K CB 0.375 32.891 32.500 0.027 0.000 0.836 348 K HN -0.070 nan 8.250 nan 0.000 0.490 349 S N 2.101 117.831 115.700 0.050 0.000 2.626 349 S HA -0.063 4.406 4.470 -0.002 0.000 0.303 349 S C -0.246 174.373 174.600 0.031 0.000 1.256 349 S CA 0.261 58.492 58.200 0.051 0.000 1.069 349 S CB 0.171 63.438 63.200 0.112 0.000 0.807 349 S HN 0.018 nan 8.310 nan 0.000 0.500 350 K N 5.523 125.928 120.400 0.007 0.000 2.507 350 K HA 0.377 4.696 4.320 -0.002 0.000 0.253 350 K C -0.848 175.737 176.600 -0.025 0.000 0.969 350 K CA -0.245 56.040 56.287 -0.003 0.000 0.908 350 K CB 1.173 33.673 32.500 0.000 0.000 1.127 350 K HN 0.658 nan 8.250 nan 0.000 0.437 351 L N 4.838 126.037 121.223 -0.039 0.000 2.678 351 L HA 0.231 4.570 4.340 -0.002 0.000 0.250 351 L C -1.576 175.240 176.870 -0.090 0.000 1.455 351 L CA -1.070 53.722 54.840 -0.079 0.000 0.823 351 L CB 1.429 43.424 42.059 -0.106 0.000 1.107 351 L HN 0.213 nan 8.230 nan 0.000 0.514 352 P HA 0.020 nan 4.420 nan 0.000 0.245 352 P C 1.032 178.285 177.300 -0.078 0.000 1.212 352 P CA 0.533 63.596 63.100 -0.062 0.000 0.774 352 P CB 0.510 32.190 31.700 -0.033 0.000 0.999 353 G N -0.674 108.058 108.800 -0.114 0.000 3.393 353 G HA2 0.174 4.133 3.960 -0.002 0.000 0.255 353 G HA3 0.174 4.133 3.960 -0.002 0.000 0.255 353 G C 1.129 175.878 174.900 -0.252 0.000 1.097 353 G CA -0.084 44.951 45.100 -0.108 0.000 0.780 353 G HN 0.172 nan 8.290 nan 0.000 0.540 354 I N -0.012 120.335 120.570 -0.372 0.000 2.512 354 I HA 0.089 4.258 4.170 -0.002 0.000 0.247 354 I C 0.700 176.736 176.117 -0.136 0.000 1.094 354 I CA 0.499 61.449 61.300 -0.584 0.000 1.427 354 I CB 0.128 37.834 38.000 -0.490 0.000 1.149 354 I HN -0.165 nan 8.210 nan 0.000 0.438 355 V N 0.985 120.821 119.914 -0.130 0.000 2.837 355 V HA 0.407 4.526 4.120 -0.002 0.000 0.310 355 V C 1.236 177.252 176.094 -0.131 0.000 1.059 355 V CA -0.091 62.098 62.300 -0.184 0.000 1.004 355 V CB 1.324 33.007 31.823 -0.233 0.000 1.045 355 V HN 0.397 nan 8.190 nan 0.000 0.465 356 A N 2.773 125.498 122.820 -0.158 0.000 2.182 356 A HA -0.239 4.080 4.320 -0.002 0.000 0.235 356 A C 1.354 178.900 177.584 -0.063 0.000 1.757 356 A CA 2.287 54.266 52.037 -0.097 0.000 0.923 356 A CB -0.613 18.317 19.000 -0.116 0.000 0.784 356 A HN 0.854 nan 8.150 nan 0.000 0.514 357 E N -0.248 119.912 120.200 -0.066 0.000 2.349 357 E HA 0.363 4.712 4.350 -0.002 0.000 0.201 357 E C 0.865 177.439 176.600 -0.043 0.000 1.087 357 E CA 0.647 57.019 56.400 -0.046 0.000 1.128 357 E CB -0.514 29.162 29.700 -0.040 0.000 1.188 357 E HN 1.277 nan 8.360 nan 0.000 0.445 358 G N 2.456 111.226 108.800 -0.050 0.000 2.136 358 G HA2 -0.363 3.596 3.960 -0.002 0.000 0.242 358 G HA3 -0.363 3.596 3.960 -0.002 0.000 0.242 358 G C 0.445 175.317 174.900 -0.047 0.000 0.989 358 G CA 0.181 45.254 45.100 -0.045 0.000 0.682 358 G HN 0.375 nan 8.290 nan 0.000 0.522 359 R N 0.690 121.154 120.500 -0.058 0.000 2.584 359 R HA -0.003 4.336 4.340 -0.002 0.000 0.315 359 R C 1.197 177.475 176.300 -0.038 0.000 0.863 359 R CA 1.053 57.124 56.100 -0.050 0.000 1.139 359 R CB 0.102 30.361 30.300 -0.069 0.000 0.880 359 R HN 0.361 nan 8.270 nan 0.000 0.413 360 D N 2.960 123.348 120.400 -0.019 0.000 2.262 360 D HA -0.137 4.502 4.640 -0.002 0.000 0.212 360 D C 0.461 176.771 176.300 0.017 0.000 0.964 360 D CA 0.865 54.861 54.000 -0.008 0.000 0.875 360 D CB 0.053 40.850 40.800 -0.004 0.000 0.996 360 D HN 0.795 nan 8.370 nan 0.000 0.497 361 D N 1.032 121.449 120.400 0.028 0.000 2.436 361 D HA -0.166 4.473 4.640 -0.002 0.000 0.233 361 D C 0.546 176.939 176.300 0.154 0.000 1.028 361 D CA 0.196 54.238 54.000 0.070 0.000 0.988 361 D CB -0.688 40.146 40.800 0.056 0.000 0.864 361 D HN 0.340 nan 8.370 nan 0.000 0.520 362 L N 0.923 122.202 121.223 0.093 0.000 2.331 362 L HA 0.287 4.626 4.340 -0.002 0.000 0.278 362 L C -0.253 176.687 176.870 0.116 0.000 1.106 362 L CA -0.712 54.167 54.840 0.065 0.000 0.824 362 L CB 0.331 42.369 42.059 -0.035 0.000 1.142 362 L HN 0.095 nan 8.230 nan 0.000 0.443 363 Y N 0.806 121.082 120.300 -0.041 0.000 2.609 363 Y HA 0.557 5.106 4.550 -0.002 0.000 0.336 363 Y C -0.998 174.877 175.900 -0.043 0.000 1.129 363 Y CA -1.546 56.528 58.100 -0.044 0.000 1.040 363 Y CB 0.836 39.294 38.460 -0.004 0.000 1.310 363 Y HN 0.081 nan 8.280 nan 0.000 0.460 364 V N 3.413 123.168 119.914 -0.264 0.000 2.405 364 V HA 0.138 4.257 4.120 -0.002 0.000 0.264 364 V C 1.090 177.169 176.094 -0.025 0.000 1.048 364 V CA 0.558 62.705 62.300 -0.255 0.000 0.966 364 V CB 0.284 31.944 31.823 -0.272 0.000 1.015 364 V HN 1.040 nan 8.190 nan 0.000 0.477 365 S N 3.043 118.618 115.700 -0.210 0.000 2.368 365 S HA -0.086 4.383 4.470 -0.002 0.000 0.225 365 S C 0.528 175.219 174.600 0.152 0.000 1.030 365 S CA 1.198 59.433 58.200 0.058 0.000 0.999 365 S CB -0.012 63.184 63.200 -0.007 0.000 0.844 365 S HN 0.814 nan 8.310 nan 0.000 0.459 366 D N -1.176 119.264 120.400 0.067 0.000 2.783 366 D HA 0.620 5.259 4.640 -0.002 0.000 0.253 366 D C -1.665 174.492 176.300 -0.239 0.000 1.206 366 D CA 0.155 54.111 54.000 -0.075 0.000 0.740 366 D CB 1.211 41.856 40.800 -0.258 0.000 1.313 366 D HN 0.426 nan 8.370 nan 0.000 0.427 367 A N 1.141 123.795 122.820 -0.277 0.000 2.355 367 A HA 0.848 5.167 4.320 -0.002 0.000 0.324 367 A C -1.386 175.902 177.584 -0.493 0.000 1.117 367 A CA -0.461 51.478 52.037 -0.163 0.000 0.785 367 A CB 0.679 19.915 19.000 0.393 0.000 1.254 367 A HN 0.298 nan 8.150 nan 0.000 0.453 368 F N -0.447 119.615 119.950 0.187 0.000 2.603 368 F HA 0.650 5.176 4.527 -0.002 0.000 0.317 368 F C -0.062 175.806 175.800 0.112 0.000 1.066 368 F CA -0.240 57.835 58.000 0.126 0.000 0.941 368 F CB 2.361 41.398 39.000 0.062 0.000 1.291 368 F HN 0.769 nan 8.300 nan 0.000 0.472 369 H N 0.936 120.035 119.070 0.047 0.000 2.974 369 H HA 0.605 5.160 4.556 -0.002 0.000 0.366 369 H C -1.660 173.521 175.328 -0.244 0.000 1.155 369 H CA -0.951 55.001 56.048 -0.160 0.000 1.186 369 H CB 1.881 31.407 29.762 -0.393 0.000 1.799 369 H HN 0.543 nan 8.280 nan 0.000 0.541 370 K N 3.313 123.377 120.400 -0.559 0.000 2.535 370 K HA 0.815 5.134 4.320 -0.002 0.000 0.250 370 K C -2.008 174.475 176.600 -0.195 0.000 0.948 370 K CA -0.328 55.816 56.287 -0.238 0.000 0.796 370 K CB 1.601 34.053 32.500 -0.080 0.000 1.216 370 K HN 0.641 nan 8.250 nan 0.000 0.432 371 A N 3.340 126.228 122.820 0.114 0.000 2.413 371 A HA 0.852 5.171 4.320 -0.002 0.000 0.307 371 A C -1.864 176.034 177.584 0.523 0.000 1.087 371 A CA -0.676 51.594 52.037 0.389 0.000 0.750 371 A CB 0.880 20.222 19.000 0.571 0.000 1.296 371 A HN 0.671 nan 8.150 nan 0.000 0.423 372 F N 1.351 121.495 119.950 0.323 0.000 2.561 372 F HA 0.708 5.234 4.527 -0.001 0.000 0.313 372 F C -1.737 173.946 175.800 -0.195 0.000 1.126 372 F CA -1.087 56.949 58.000 0.060 0.000 0.918 372 F CB 1.917 40.932 39.000 0.025 0.000 1.199 372 F HN 0.547 nan 8.300 nan 0.000 0.444 373 L N 5.639 126.254 121.223 -1.013 0.000 2.438 373 L HA 0.589 4.928 4.340 -0.002 0.000 0.270 373 L C -1.586 174.636 176.870 -1.080 0.000 0.972 373 L CA -0.153 54.036 54.840 -1.086 0.000 0.831 373 L CB 1.867 42.938 42.059 -1.647 0.000 1.273 373 L HN 0.768 nan 8.230 nan 0.000 0.405 374 E N 3.892 123.640 120.200 -0.753 0.000 2.256 374 E HA 0.705 5.054 4.350 -0.002 0.000 0.268 374 E C -2.004 174.315 176.600 -0.468 0.000 0.877 374 E CA -0.724 55.290 56.400 -0.645 0.000 0.757 374 E CB 2.162 31.647 29.700 -0.357 0.000 1.183 374 E HN 0.489 nan 8.360 nan 0.000 0.418 375 V N 4.719 124.273 119.914 -0.598 0.000 2.588 375 V HA 0.492 4.611 4.120 -0.002 0.000 0.304 375 V C -0.384 175.635 176.094 -0.126 0.000 1.042 375 V CA -0.656 61.477 62.300 -0.278 0.000 0.877 375 V CB 1.547 33.230 31.823 -0.233 0.000 0.996 375 V HN 0.879 nan 8.190 nan 0.000 0.425 376 N N 2.713 121.458 118.700 0.075 0.000 3.479 376 N HA 0.358 5.097 4.740 -0.002 0.000 0.336 376 N C 0.415 176.105 175.510 0.300 0.000 1.623 376 N CA -0.741 52.371 53.050 0.104 0.000 0.759 376 N CB 0.795 39.313 38.487 0.051 0.000 2.016 376 N HN 0.228 nan 8.380 nan 0.000 0.637 377 E N -0.353 119.997 120.200 0.250 0.000 2.106 377 E HA -0.041 4.308 4.350 -0.002 0.000 0.192 377 E C 0.889 177.853 176.600 0.608 0.000 0.984 377 E CA 1.377 58.026 56.400 0.416 0.000 0.806 377 E CB -0.081 29.783 29.700 0.274 0.000 0.750 377 E HN 0.589 nan 8.360 nan 0.000 0.458 378 E N -0.682 119.743 120.200 0.374 0.000 2.112 378 E HA 0.187 4.536 4.350 -0.002 0.000 0.190 378 E C 0.910 177.598 176.600 0.147 0.000 0.979 378 E CA 0.960 57.528 56.400 0.280 0.000 0.814 378 E CB 0.282 30.056 29.700 0.123 0.000 0.762 378 E HN 0.239 nan 8.360 nan 0.000 0.460 379 G N -1.183 107.521 108.800 -0.160 0.000 2.441 379 G HA2 0.341 4.300 3.960 -0.002 0.000 0.225 379 G HA3 0.341 4.300 3.960 -0.002 0.000 0.225 379 G C -1.214 173.298 174.900 -0.648 0.000 1.200 379 G CA -0.070 44.426 45.100 -1.006 0.000 0.947 379 G HN 0.063 nan 8.290 nan 0.000 0.484 380 S N -0.857 114.578 115.700 -0.442 0.000 2.595 380 S HA 0.718 5.187 4.470 -0.002 0.000 0.281 380 S C -1.552 172.881 174.600 -0.278 0.000 1.117 380 S CA -0.243 57.832 58.200 -0.208 0.000 0.873 380 S CB 2.021 65.248 63.200 0.046 0.000 1.108 380 S HN 0.786 nan 8.310 nan 0.000 0.477 381 E N 1.239 121.321 120.200 -0.196 0.000 2.263 381 E HA 0.679 5.028 4.350 -0.002 0.000 0.268 381 E C -1.417 175.117 176.600 -0.110 0.000 0.884 381 E CA -0.757 55.505 56.400 -0.232 0.000 0.766 381 E CB 1.742 31.375 29.700 -0.111 0.000 1.196 381 E HN 0.792 nan 8.360 nan 0.000 0.416 382 A N 2.527 125.242 122.820 -0.175 0.000 2.498 382 A HA 0.961 5.280 4.320 -0.002 0.000 0.298 382 A C -1.445 175.992 177.584 -0.245 0.000 1.075 382 A CA -0.120 51.723 52.037 -0.324 0.000 0.714 382 A CB 1.915 20.303 19.000 -1.020 0.000 1.299 382 A HN 0.655 nan 8.150 nan 0.000 0.407 383 A N -0.125 122.735 122.820 0.067 0.000 2.594 383 A HA 1.014 5.333 4.320 -0.002 0.000 0.295 383 A C -0.527 177.361 177.584 0.506 0.000 1.071 383 A CA 0.067 52.305 52.037 0.335 0.000 0.685 383 A CB 1.278 20.415 19.000 0.227 0.000 1.285 383 A HN 2.691 nan 8.150 nan 0.000 0.405 384 A N -0.002 123.093 122.820 0.459 0.000 2.610 384 A HA 0.965 5.284 4.320 -0.002 0.000 0.291 384 A C -0.573 177.073 177.584 0.102 0.000 1.086 384 A CA 0.120 52.316 52.037 0.264 0.000 0.677 384 A CB 1.231 20.478 19.000 0.411 0.000 1.278 384 A HN 2.256 nan 8.150 nan 0.000 0.414 385 S N -0.960 114.676 115.700 -0.106 0.000 2.547 385 S HA 0.820 5.289 4.470 -0.002 0.000 0.270 385 S C -1.349 173.240 174.600 -0.019 0.000 1.150 385 S CA -0.052 58.147 58.200 -0.002 0.000 0.850 385 S CB 1.805 65.028 63.200 0.039 0.000 1.118 385 S HN 1.243 nan 8.310 nan 0.000 0.461 386 T N 2.430 117.070 114.554 0.144 0.000 2.928 386 T HA 0.756 5.105 4.350 -0.002 0.000 0.296 386 T C -1.030 173.763 174.700 0.154 0.000 1.000 386 T CA -0.466 61.768 62.100 0.225 0.000 0.989 386 T CB 1.490 70.544 68.868 0.309 0.000 1.005 386 T HN 0.944 nan 8.240 nan 0.000 0.442 387 A N 2.900 125.823 122.820 0.171 0.000 2.340 387 A HA 0.719 5.038 4.320 -0.002 0.000 0.297 387 A C -0.415 177.218 177.584 0.081 0.000 1.195 387 A CA -0.629 51.484 52.037 0.125 0.000 0.769 387 A CB 0.744 19.840 19.000 0.161 0.000 1.163 387 A HN 0.690 nan 8.150 nan 0.000 0.472 388 V N 3.212 123.083 119.914 -0.071 0.000 2.432 388 V HA 0.313 4.433 4.120 -0.002 0.000 0.275 388 V C 0.049 176.075 176.094 -0.113 0.000 1.043 388 V CA -0.379 61.815 62.300 -0.177 0.000 0.925 388 V CB 1.316 32.871 31.823 -0.447 0.000 0.985 388 V HN 0.581 nan 8.190 nan 0.000 0.466 389 V N 6.273 126.135 119.914 -0.087 0.000 2.347 389 V HA 0.406 4.526 4.120 -0.002 0.000 0.280 389 V C -0.029 175.950 176.094 -0.192 0.000 1.021 389 V CA -0.550 61.687 62.300 -0.105 0.000 0.847 389 V CB 1.450 33.262 31.823 -0.018 0.000 0.990 389 V HN 0.569 nan 8.190 nan 0.000 0.444 390 I N 4.312 124.747 120.570 -0.225 0.000 2.325 390 I HA 0.441 4.610 4.170 -0.002 0.000 0.291 390 I C 1.086 176.993 176.117 -0.350 0.000 1.019 390 I CA -0.041 61.078 61.300 -0.300 0.000 1.302 390 I CB 0.311 38.190 38.000 -0.201 0.000 1.401 390 I HN 0.925 nan 8.210 nan 0.000 0.485 391 A N 4.459 126.896 122.820 -0.639 0.000 2.945 391 A HA -0.150 4.169 4.320 -0.002 0.000 0.263 391 A C 1.131 178.606 177.584 -0.181 0.000 1.293 391 A CA 1.096 52.834 52.037 -0.499 0.000 0.944 391 A CB -2.085 16.815 19.000 -0.168 0.000 1.093 391 A HN 0.937 nan 8.150 nan 0.000 0.786 392 G N -0.968 107.718 108.800 -0.190 0.000 2.485 392 G HA2 0.438 4.397 3.960 -0.002 0.000 0.260 392 G HA3 0.438 4.397 3.960 -0.002 0.000 0.260 392 G C 0.154 175.071 174.900 0.027 0.000 1.459 392 G CA -0.011 45.038 45.100 -0.085 0.000 1.060 392 G HN 0.950 nan 8.290 nan 0.000 0.546 393 R N -0.089 120.442 120.500 0.053 0.000 2.198 393 R HA 0.403 4.742 4.340 -0.002 0.000 0.339 393 R C -0.068 176.311 176.300 0.130 0.000 1.020 393 R CA -0.195 55.962 56.100 0.095 0.000 0.864 393 R CB 0.552 30.895 30.300 0.072 0.000 1.105 393 R HN 0.364 nan 8.270 nan 0.000 0.463 394 S N 5.047 120.834 115.700 0.145 0.000 2.498 394 S HA 0.175 4.644 4.470 -0.002 0.000 0.281 394 S C 0.411 175.088 174.600 0.128 0.000 1.265 394 S CA -0.437 57.847 58.200 0.140 0.000 1.071 394 S CB 0.131 63.418 63.200 0.145 0.000 0.894 394 S HN 0.524 nan 8.310 nan 0.000 0.491 395 L N 3.849 125.170 121.223 0.164 0.000 2.874 395 L HA 0.613 4.952 4.340 -0.002 0.000 0.229 395 L C 0.074 177.013 176.870 0.115 0.000 1.200 395 L CA -1.165 53.767 54.840 0.153 0.000 0.976 395 L CB 0.471 42.663 42.059 0.221 0.000 1.887 395 L HN 0.747 nan 8.230 nan 0.000 0.543 396 N N -2.181 116.586 118.700 0.111 0.000 2.525 396 N HA 0.563 5.302 4.740 -0.002 0.000 0.270 396 N C -2.583 172.985 175.510 0.096 0.000 1.321 396 N CA -1.267 51.832 53.050 0.081 0.000 0.797 396 N CB -0.630 37.888 38.487 0.053 0.000 1.529 396 N HN 0.245 nan 8.380 nan 0.000 0.491 400 V N 1.018 120.963 119.914 0.051 0.000 3.063 400 V HA 0.592 4.711 4.120 -0.002 0.000 0.249 400 V C -0.211 175.907 176.094 0.040 0.000 0.908 400 V CA 0.045 62.372 62.300 0.046 0.000 0.966 400 V CB 1.492 33.350 31.823 0.058 0.000 1.015 400 V HN 1.000 nan 8.190 nan 0.000 0.512 401 T N 2.156 116.726 114.554 0.026 0.000 2.922 401 T HA 0.787 5.136 4.350 -0.002 0.000 0.285 401 T C 0.493 175.203 174.700 0.016 0.000 1.005 401 T CA 0.973 63.084 62.100 0.018 0.000 1.061 401 T CB 1.310 70.185 68.868 0.011 0.000 1.007 401 T HN 1.643 nan 8.240 nan 0.000 0.502 402 F N -1.191 118.766 119.950 0.011 0.000 2.901 402 F HA 0.684 5.210 4.527 -0.002 0.000 0.329 402 F C 0.951 176.754 175.800 0.005 0.000 1.185 402 F CA -0.567 57.436 58.000 0.005 0.000 1.114 402 F CB -1.356 37.643 39.000 -0.002 0.000 1.199 402 F HN 0.901 nan 8.300 nan 0.000 0.513 403 K N 0.741 121.148 120.400 0.012 0.000 2.456 403 K HA 0.318 4.637 4.320 -0.002 0.000 0.254 403 K C 0.638 177.267 176.600 0.049 0.000 1.032 403 K CA 1.008 57.310 56.287 0.024 0.000 1.133 403 K CB -1.099 31.416 32.500 0.024 0.000 0.755 403 K HN 2.329 nan 8.250 nan 0.000 0.469 404 A N 2.153 125.019 122.820 0.078 0.000 2.611 404 A HA 0.771 5.090 4.320 -0.002 0.000 0.208 404 A C 0.616 178.360 177.584 0.267 0.000 1.958 404 A CA 0.817 52.970 52.037 0.192 0.000 1.718 404 A CB 0.584 19.649 19.000 0.109 0.000 1.357 404 A HN 1.124 nan 8.150 nan 0.000 0.428 405 N N -2.306 116.619 118.700 0.375 0.000 3.465 405 N HA 0.207 4.946 4.740 -0.002 0.000 0.244 405 N C -1.458 174.199 175.510 0.245 0.000 1.454 405 N CA -0.917 52.266 53.050 0.223 0.000 0.865 405 N CB 0.529 39.038 38.487 0.037 0.000 1.439 405 N HN 0.276 nan 8.380 nan 0.000 0.480 406 R N -0.258 120.301 120.500 0.098 0.000 2.181 406 R HA -0.113 4.226 4.340 -0.002 0.000 0.216 406 R C -2.404 174.005 176.300 0.182 0.000 0.717 406 R CA 0.426 56.587 56.100 0.100 0.000 0.506 406 R CB -2.164 28.157 30.300 0.035 0.000 1.447 406 R HN 0.408 nan 8.270 nan 0.000 0.546 407 P HA 0.388 nan 4.420 nan 0.000 0.281 407 P C -0.421 176.969 177.300 0.150 0.000 1.264 407 P CA -0.492 62.652 63.100 0.074 0.000 0.824 407 P CB 0.795 32.489 31.700 -0.010 0.000 1.092 408 F N -1.081 118.884 119.950 0.024 0.000 2.588 408 F HA 0.607 5.133 4.527 -0.001 0.000 0.314 408 F C -0.913 174.915 175.800 0.046 0.000 1.069 408 F CA -1.623 56.396 58.000 0.032 0.000 0.931 408 F CB 0.714 39.726 39.000 0.021 0.000 1.260 408 F HN 0.008 nan 8.300 nan 0.000 0.465 409 L N 2.905 124.244 121.223 0.192 0.000 2.395 409 L HA 0.680 5.019 4.340 -0.002 0.000 0.269 409 L C -0.424 176.566 176.870 0.199 0.000 1.133 409 L CA -1.065 53.816 54.840 0.068 0.000 0.812 409 L CB 1.483 43.595 42.059 0.088 0.000 1.125 409 L HN 0.561 nan 8.230 nan 0.000 0.452 410 V N 2.123 122.057 119.914 0.034 0.000 2.769 410 V HA 0.553 4.672 4.120 -0.002 0.000 0.312 410 V C -0.857 175.247 176.094 0.016 0.000 1.061 410 V CA -0.621 61.815 62.300 0.226 0.000 0.931 410 V CB 2.092 34.104 31.823 0.315 0.000 1.010 410 V HN 0.420 nan 8.190 nan 0.000 0.433 411 F N 2.819 122.934 119.950 0.275 0.000 2.588 411 F HA 0.603 5.129 4.527 -0.002 0.000 0.318 411 F C -0.391 175.566 175.800 0.262 0.000 1.155 411 F CA -0.376 57.761 58.000 0.229 0.000 0.967 411 F CB 1.799 40.900 39.000 0.168 0.000 1.236 411 F HN 0.201 nan 8.300 nan 0.000 0.455 412 I N 4.890 125.715 120.570 0.425 0.000 2.382 412 I HA 0.487 4.656 4.170 -0.002 0.000 0.285 412 I C -0.537 175.708 176.117 0.213 0.000 1.007 412 I CA -0.623 60.855 61.300 0.298 0.000 1.142 412 I CB 1.357 39.476 38.000 0.197 0.000 1.289 412 I HN 0.622 nan 8.210 nan 0.000 0.453 413 R N 4.389 125.003 120.500 0.190 0.000 2.854 413 R HA 0.601 4.940 4.340 -0.002 0.000 0.271 413 R C -0.776 175.579 176.300 0.092 0.000 0.996 413 R CA -0.889 55.288 56.100 0.129 0.000 0.961 413 R CB 2.135 32.514 30.300 0.132 0.000 1.182 413 R HN 0.280 nan 8.270 nan 0.000 0.479 414 E N 2.210 122.446 120.200 0.060 0.000 2.109 414 E HA 0.127 4.476 4.350 -0.002 0.000 0.278 414 E C 0.586 177.228 176.600 0.070 0.000 0.954 414 E CA -0.456 55.978 56.400 0.057 0.000 0.779 414 E CB 1.918 31.629 29.700 0.018 0.000 1.093 414 E HN 0.582 nan 8.360 nan 0.000 0.401 415 V N 6.964 126.933 119.914 0.092 0.000 2.229 415 V HA -0.131 3.988 4.120 -0.002 0.000 0.243 415 V C -0.758 175.385 176.094 0.081 0.000 1.042 415 V CA 1.702 64.056 62.300 0.089 0.000 1.000 415 V CB -1.451 30.433 31.823 0.101 0.000 0.637 415 V HN 0.609 nan 8.190 nan 0.000 0.446 416 P HA -0.155 nan 4.420 nan 0.000 0.215 416 P C 1.738 179.087 177.300 0.083 0.000 1.157 416 P CA 1.623 64.767 63.100 0.074 0.000 0.868 416 P CB -0.109 31.628 31.700 0.061 0.000 0.788 417 L N -0.703 120.557 121.223 0.062 0.000 2.610 417 L HA 0.061 4.400 4.340 -0.002 0.000 0.232 417 L C 1.250 178.152 176.870 0.053 0.000 1.149 417 L CA 0.373 55.245 54.840 0.054 0.000 0.872 417 L CB -1.294 40.772 42.059 0.011 0.000 0.992 417 L HN 0.177 nan 8.230 nan 0.000 0.447 418 N N 1.080 119.818 118.700 0.063 0.000 2.708 418 N HA -0.196 4.543 4.740 -0.002 0.000 0.249 418 N C 0.131 175.636 175.510 -0.008 0.000 1.097 418 N CA 0.693 53.767 53.050 0.039 0.000 0.710 418 N CB -0.341 38.179 38.487 0.055 0.000 1.032 418 N HN 0.457 nan 8.380 nan 0.000 0.551 419 T N -0.837 113.717 114.554 0.000 0.000 2.855 419 T HA 0.588 4.937 4.350 -0.002 0.000 0.281 419 T C 0.272 174.985 174.700 0.023 0.000 1.007 419 T CA -0.793 61.303 62.100 -0.007 0.000 1.009 419 T CB 1.393 70.246 68.868 -0.024 0.000 0.983 419 T HN 0.195 nan 8.240 nan 0.000 0.455 420 I N 5.176 125.772 120.570 0.043 0.000 2.322 420 I HA 0.217 4.386 4.170 -0.002 0.000 0.292 420 I C 1.179 177.310 176.117 0.023 0.000 1.060 420 I CA -0.493 60.862 61.300 0.093 0.000 1.309 420 I CB 0.640 38.736 38.000 0.160 0.000 1.415 420 I HN 0.705 nan 8.210 nan 0.000 0.492 421 I N 5.486 126.043 120.570 -0.023 0.000 2.339 421 I HA 0.007 4.176 4.170 -0.002 0.000 0.245 421 I C 0.140 175.937 176.117 -0.534 0.000 1.096 421 I CA 1.164 62.317 61.300 -0.245 0.000 1.408 421 I CB 0.107 37.977 38.000 -0.217 0.000 1.092 421 I HN 0.319 nan 8.210 nan 0.000 0.423 422 F N 0.521 120.483 119.950 0.019 0.000 2.599 422 F HA 0.613 5.139 4.527 -0.001 0.000 0.311 422 F C -0.205 175.543 175.800 -0.086 0.000 1.076 422 F CA -0.919 57.021 58.000 -0.100 0.000 0.937 422 F CB 1.875 40.863 39.000 -0.019 0.000 1.282 422 F HN -0.188 nan 8.300 nan 0.000 0.460 423 M N 0.971 120.520 119.600 -0.084 0.000 2.534 423 M HA 0.947 5.426 4.480 -0.002 0.000 0.280 423 M C -0.970 175.242 176.300 -0.147 0.000 1.217 423 M CA -0.483 54.698 55.300 -0.198 0.000 0.893 423 M CB 2.468 34.882 32.600 -0.310 0.000 1.730 423 M HN 0.778 nan 8.290 nan 0.000 0.483 424 G N 0.933 109.674 108.800 -0.099 0.000 2.427 424 G HA2 0.564 4.523 3.960 -0.002 0.000 0.306 424 G HA3 0.564 4.523 3.960 -0.002 0.000 0.306 424 G C -2.394 172.550 174.900 0.072 0.000 1.280 424 G CA -1.013 44.202 45.100 0.191 0.000 0.837 424 G HN 0.904 nan 8.290 nan 0.000 0.482 425 R N 0.039 120.621 120.500 0.136 0.000 2.502 425 R HA 0.575 4.914 4.340 -0.002 0.000 0.300 425 R C -1.511 174.702 176.300 -0.144 0.000 0.984 425 R CA -0.442 55.648 56.100 -0.017 0.000 0.882 425 R CB 1.931 32.288 30.300 0.096 0.000 1.180 425 R HN 0.375 nan 8.270 nan 0.000 0.444 426 V N 4.519 124.151 119.914 -0.470 0.000 2.364 426 V HA 0.370 4.489 4.120 -0.002 0.000 0.272 426 V C 0.722 176.495 176.094 -0.535 0.000 1.036 426 V CA 0.103 62.030 62.300 -0.622 0.000 0.880 426 V CB 1.078 32.210 31.823 -1.153 0.000 0.991 426 V HN 0.970 nan 8.190 nan 0.000 0.460 427 A N 4.190 126.834 122.820 -0.293 0.000 2.287 427 A HA 0.290 4.609 4.320 -0.002 0.000 0.214 427 A C 0.859 178.332 177.584 -0.185 0.000 1.228 427 A CA 0.090 52.043 52.037 -0.141 0.000 0.939 427 A CB 0.208 19.179 19.000 -0.048 0.000 0.992 427 A HN 0.619 nan 8.150 nan 0.000 0.502 428 N N 0.781 119.286 118.700 -0.325 0.000 2.617 428 N HA 0.241 4.981 4.740 -0.002 0.000 0.263 428 N C -2.681 172.524 175.510 -0.508 0.000 1.074 428 N CA -1.237 51.524 53.050 -0.482 0.000 0.841 428 N CB 1.927 40.245 38.487 -0.281 0.000 1.221 428 N HN 0.026 nan 8.380 nan 0.000 0.529 429 P HA 0.137 nan 4.420 nan 0.000 0.249 429 P C 0.204 177.356 177.300 -0.246 0.000 1.241 429 P CA -0.050 62.780 63.100 -0.450 0.000 0.781 429 P CB 0.035 31.505 31.700 -0.383 0.000 1.088 430 c N 0.000 118.415 118.600 -0.309 0.000 2.653 430 c HA 0.000 4.569 4.570 -0.002 0.000 0.325 430 c CA 0.000 56.225 56.329 -0.173 0.000 1.963 430 c CB 0.000 42.391 42.510 -0.198 0.000 2.134 430 c HN 0.000 nan 8.230 nan 0.000 0.568