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 1jvq_1_L DATA FIRST_RESID 5 DATA SEQUENCE VDIcTAKPRD IPMNPMcIYX XXXXXXXXXX XXXXXXXXXX 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 LNPNRVTFKA DATA SEQUENCE NRPFLVFIRE VPLNTIIFMG RVANPcV 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 0.000 176.099 176.094 0.009 0.000 1.182 5 V CA 0.000 62.301 62.300 0.001 0.000 1.235 5 V CB 0.000 31.817 31.823 -0.009 0.000 1.184 6 D N 4.001 124.414 120.400 0.023 0.000 2.453 6 D HA 0.513 5.158 4.640 0.009 0.000 0.238 6 D C 1.142 177.475 176.300 0.055 0.000 1.088 6 D CA -0.436 53.583 54.000 0.032 0.000 0.854 6 D CB 1.837 42.657 40.800 0.032 0.000 1.076 6 D HN 0.498 nan 8.370 nan 0.000 0.533 7 I N 1.141 121.745 120.570 0.057 0.000 2.530 7 I HA -0.263 3.913 4.170 0.009 0.000 0.257 7 I C 2.162 178.330 176.117 0.086 0.000 1.179 7 I CA 0.503 61.869 61.300 0.110 0.000 1.440 7 I CB -0.179 37.862 38.000 0.068 0.000 1.087 7 I HN 0.401 nan 8.210 nan 0.000 0.440 8 c N 0.681 119.309 118.600 0.046 0.000 2.457 8 c HA -0.093 4.483 4.570 0.009 0.000 0.278 8 c C 2.994 177.115 174.090 0.051 0.000 1.309 8 c CA 1.623 57.969 56.329 0.028 0.000 1.735 8 c CB -1.050 41.480 42.510 0.034 0.000 1.992 8 c HN 0.608 nan 8.230 nan 0.000 0.493 9 T N 0.104 114.699 114.554 0.068 0.000 3.021 9 T HA 0.294 4.650 4.350 0.009 0.000 0.245 9 T C 1.077 175.839 174.700 0.104 0.000 1.028 9 T CA 0.695 62.838 62.100 0.073 0.000 1.139 9 T CB -0.464 68.436 68.868 0.053 0.000 0.884 9 T HN 0.486 nan 8.240 nan 0.000 0.457 10 A N 2.340 125.231 122.820 0.118 0.000 2.583 10 A HA 0.253 4.579 4.320 0.009 0.000 0.231 10 A C 0.444 178.147 177.584 0.199 0.000 1.065 10 A CA 0.022 52.134 52.037 0.124 0.000 0.760 10 A CB 0.012 19.073 19.000 0.101 0.000 1.001 10 A HN 0.475 nan 8.150 nan 0.000 0.509 11 K N 2.353 122.803 120.400 0.084 0.000 2.107 11 K HA 0.255 4.581 4.320 0.009 0.000 0.251 11 K C -1.699 174.766 176.600 -0.225 0.000 1.012 11 K CA -1.493 54.822 56.287 0.047 0.000 0.920 11 K CB 0.511 33.013 32.500 0.004 0.000 1.033 11 K HN 0.507 nan 8.250 nan 0.000 0.478 12 P HA -0.138 nan 4.420 nan 0.000 0.225 12 P C 0.391 177.364 177.300 -0.546 0.000 1.148 12 P CA 1.316 63.810 63.100 -1.010 0.000 0.779 12 P CB 0.216 31.561 31.700 -0.592 0.000 0.780 13 R N -0.034 120.296 120.500 -0.284 0.000 2.115 13 R HA -0.037 4.308 4.340 0.009 0.000 0.226 13 R C 1.927 178.131 176.300 -0.160 0.000 1.100 13 R CA 1.197 57.191 56.100 -0.177 0.000 0.980 13 R CB -0.628 29.613 30.300 -0.098 0.000 0.875 13 R HN 0.229 nan 8.270 nan 0.000 0.445 14 D N 1.066 121.372 120.400 -0.157 0.000 2.103 14 D HA -0.064 4.581 4.640 0.009 0.000 0.199 14 D C 0.683 176.907 176.300 -0.126 0.000 0.978 14 D CA 0.802 54.736 54.000 -0.110 0.000 0.829 14 D CB 0.029 40.788 40.800 -0.068 0.000 0.981 14 D HN 0.035 nan 8.370 nan 0.000 0.464 15 I N 4.005 124.465 120.570 -0.183 0.000 2.406 15 I HA 0.083 4.258 4.170 0.009 0.000 0.293 15 I C -2.017 173.992 176.117 -0.179 0.000 1.101 15 I CA -2.247 58.956 61.300 -0.161 0.000 1.334 15 I CB -0.241 37.669 38.000 -0.150 0.000 1.421 15 I HN -0.161 nan 8.210 nan 0.000 0.513 16 P HA 0.183 nan 4.420 nan 0.000 0.277 16 P C -0.426 176.812 177.300 -0.103 0.000 1.354 16 P CA -0.494 62.541 63.100 -0.109 0.000 0.891 16 P CB 0.742 32.394 31.700 -0.080 0.000 1.058 17 M N 3.675 123.207 119.600 -0.112 0.000 2.156 17 M HA 0.090 4.575 4.480 0.009 0.000 0.345 17 M C 0.617 176.875 176.300 -0.070 0.000 1.398 17 M CA 0.103 55.344 55.300 -0.098 0.000 1.148 17 M CB -0.369 32.176 32.600 -0.092 0.000 1.663 17 M HN 0.204 nan 8.290 nan 0.000 0.464 18 N N 4.255 122.918 118.700 -0.061 0.000 2.546 18 N HA 0.285 5.030 4.740 0.009 0.000 0.286 18 N C -2.465 173.031 175.510 -0.023 0.000 1.259 18 N CA -1.403 51.624 53.050 -0.037 0.000 0.939 18 N CB 0.273 38.740 38.487 -0.033 0.000 1.243 18 N HN 0.279 nan 8.380 nan 0.000 0.511 19 P HA -0.033 nan 4.420 nan 0.000 0.269 19 P C 1.118 178.425 177.300 0.012 0.000 1.211 19 P CA 0.008 63.103 63.100 -0.008 0.000 0.781 19 P CB 0.813 32.508 31.700 -0.008 0.000 0.877 20 M N 1.008 120.620 119.600 0.021 0.000 2.062 20 M HA -0.070 4.416 4.480 0.009 0.000 0.259 20 M C 0.087 176.404 176.300 0.029 0.000 1.076 20 M CA 1.899 57.211 55.300 0.020 0.000 1.122 20 M CB -0.070 32.538 32.600 0.013 0.000 1.312 20 M HN 0.301 nan 8.290 nan 0.000 0.412 21 c N 0.312 118.938 118.600 0.042 0.000 2.345 21 c HA 0.715 5.291 4.570 0.009 0.000 0.370 21 c C 0.138 174.280 174.090 0.087 0.000 1.209 21 c CA -1.122 55.244 56.329 0.061 0.000 2.133 21 c CB 1.039 43.587 42.510 0.064 0.000 2.293 21 c HN 0.479 nan 8.230 nan 0.000 0.544 22 I N -0.343 120.294 120.570 0.111 0.000 3.006 22 I HA 0.546 4.721 4.170 0.009 0.000 0.306 22 I C -1.156 175.091 176.117 0.216 0.000 1.250 22 I CA -0.501 60.884 61.300 0.142 0.000 0.996 22 I CB 2.184 40.238 38.000 0.091 0.000 1.261 22 I HN 0.773 nan 8.210 nan 0.000 0.442 46 R N 0.223 120.709 120.500 -0.023 0.000 2.210 46 R HA 0.291 4.636 4.340 0.009 0.000 0.203 46 R C 1.847 178.164 176.300 0.027 0.000 1.010 46 R CA 0.327 56.452 56.100 0.042 0.000 1.008 46 R CB 0.136 30.450 30.300 0.023 0.000 0.923 46 R HN 0.210 nan 8.270 nan 0.000 0.469 47 R N 0.612 120.983 120.500 -0.215 0.000 2.073 47 R HA -0.069 4.276 4.340 0.009 0.000 0.234 47 R C 2.199 178.308 176.300 -0.318 0.000 1.134 47 R CA 1.137 56.916 56.100 -0.534 0.000 0.952 47 R CB -0.955 28.382 30.300 -1.605 0.000 0.850 47 R HN -0.028 nan 8.270 nan 0.000 0.433 48 V N -0.472 119.340 119.914 -0.169 0.000 2.278 48 V HA -0.301 3.825 4.120 0.009 0.000 0.251 48 V C 1.882 177.985 176.094 0.015 0.000 1.062 48 V CA 1.978 64.264 62.300 -0.024 0.000 1.038 48 V CB -0.636 31.207 31.823 0.034 0.000 0.646 48 V HN 0.470 nan 8.190 nan 0.000 0.447 49 W N 1.293 122.527 121.300 -0.110 0.000 2.333 49 W HA -0.202 4.463 4.660 0.008 0.000 0.316 49 W C 2.500 178.974 176.519 -0.075 0.000 1.215 49 W CA 2.137 59.434 57.345 -0.080 0.000 1.278 49 W CB -0.354 29.064 29.460 -0.070 0.000 1.154 49 W HN 0.344 nan 8.180 nan 0.000 0.486 50 E N -0.171 119.945 120.200 -0.140 0.000 2.204 50 E HA -0.236 4.120 4.350 0.009 0.000 0.195 50 E C 1.967 178.426 176.600 -0.234 0.000 0.990 50 E CA 1.327 57.551 56.400 -0.293 0.000 0.821 50 E CB -0.617 29.017 29.700 -0.110 0.000 0.750 50 E HN 0.286 nan 8.360 nan 0.000 0.477 51 L N 0.984 122.110 121.223 -0.162 0.000 2.072 51 L HA -0.134 4.212 4.340 0.009 0.000 0.205 51 L C 2.290 179.060 176.870 -0.167 0.000 1.079 51 L CA 2.068 56.843 54.840 -0.109 0.000 0.752 51 L CB -0.641 41.343 42.059 -0.124 0.000 0.906 51 L HN 0.111 nan 8.230 nan 0.000 0.436 52 S N -0.926 114.641 115.700 -0.222 0.000 2.382 52 S HA -0.245 4.231 4.470 0.009 0.000 0.228 52 S C 2.066 176.522 174.600 -0.241 0.000 1.027 52 S CA 1.374 59.449 58.200 -0.209 0.000 0.991 52 S CB -0.533 62.558 63.200 -0.183 0.000 0.823 52 S HN 0.542 nan 8.310 nan 0.000 0.469 53 K N 1.549 121.714 120.400 -0.391 0.000 2.026 53 K HA 0.113 4.438 4.320 0.009 0.000 0.208 53 K C 2.616 179.103 176.600 -0.187 0.000 1.048 53 K CA 1.164 57.234 56.287 -0.362 0.000 0.929 53 K CB -0.672 31.500 32.500 -0.547 0.000 0.713 53 K HN 0.482 nan 8.250 nan 0.000 0.439 54 A N 2.065 124.801 122.820 -0.141 0.000 1.892 54 A HA -0.262 4.064 4.320 0.009 0.000 0.218 54 A C 1.811 179.386 177.584 -0.015 0.000 1.188 54 A CA 2.089 54.093 52.037 -0.054 0.000 0.631 54 A CB -0.698 18.319 19.000 0.028 0.000 0.822 54 A HN 0.267 nan 8.150 nan 0.000 0.447 55 N N 0.078 118.779 118.700 0.002 0.000 2.166 55 N HA -0.083 4.662 4.740 0.009 0.000 0.186 55 N C 1.933 177.509 175.510 0.110 0.000 1.019 55 N CA 1.513 54.616 53.050 0.088 0.000 0.856 55 N CB -0.514 38.001 38.487 0.046 0.000 0.993 55 N HN 0.447 nan 8.380 nan 0.000 0.426 56 S N 0.638 116.349 115.700 0.019 0.000 2.383 56 S HA 0.021 4.496 4.470 0.009 0.000 0.227 56 S C 1.867 176.475 174.600 0.013 0.000 1.026 56 S CA 0.666 58.874 58.200 0.015 0.000 0.981 56 S CB 0.115 63.288 63.200 -0.045 0.000 0.818 56 S HN 0.338 nan 8.310 nan 0.000 0.472 57 R N -0.201 120.296 120.500 -0.006 0.000 2.092 57 R HA -0.040 4.305 4.340 0.009 0.000 0.231 57 R C 2.056 178.357 176.300 0.002 0.000 1.119 57 R CA 1.247 57.338 56.100 -0.015 0.000 0.970 57 R CB -0.481 29.801 30.300 -0.030 0.000 0.864 57 R HN 0.449 nan 8.270 nan 0.000 0.440 58 F N 1.727 121.634 119.950 -0.071 0.000 2.134 58 F HA -0.141 4.392 4.527 0.010 0.000 0.299 58 F C 2.246 178.062 175.800 0.026 0.000 1.097 58 F CA 1.095 59.038 58.000 -0.096 0.000 1.264 58 F CB -0.426 38.474 39.000 -0.167 0.000 1.001 58 F HN -0.032 nan 8.300 nan 0.000 0.479 59 A N 0.301 123.087 122.820 -0.057 0.000 1.859 59 A HA -0.277 4.048 4.320 0.009 0.000 0.217 59 A C 2.328 179.910 177.584 -0.004 0.000 1.198 59 A CA 3.243 55.266 52.037 -0.024 0.000 0.629 59 A CB -1.719 17.347 19.000 0.110 0.000 0.830 59 A HN 0.543 nan 8.150 nan 0.000 0.446 60 T N -2.877 111.690 114.554 0.022 0.000 2.708 60 T HA -0.150 4.206 4.350 0.009 0.000 0.266 60 T C 1.820 176.538 174.700 0.030 0.000 1.037 60 T CA 2.143 64.279 62.100 0.059 0.000 1.146 60 T CB -1.258 67.629 68.868 0.032 0.000 0.865 60 T HN 0.380 nan 8.240 nan 0.000 0.435 61 T N 1.526 116.054 114.554 -0.044 0.000 2.708 61 T HA -0.006 4.350 4.350 0.009 0.000 0.266 61 T C 1.401 176.100 174.700 -0.002 0.000 1.037 61 T CA 1.350 63.436 62.100 -0.023 0.000 1.146 61 T CB -0.677 68.171 68.868 -0.033 0.000 0.865 61 T HN 0.399 nan 8.240 nan 0.000 0.435 62 F N 0.968 120.693 119.950 -0.374 0.000 2.134 62 F HA -0.114 4.418 4.527 0.009 0.000 0.299 62 F C 2.170 177.864 175.800 -0.177 0.000 1.097 62 F CA 0.826 58.571 58.000 -0.425 0.000 1.264 62 F CB -0.606 37.813 39.000 -0.968 0.000 1.001 62 F HN 0.173 nan 8.300 nan 0.000 0.479 63 Y N 1.287 121.448 120.300 -0.231 0.000 2.207 63 Y HA -0.286 4.270 4.550 0.010 0.000 0.287 63 Y C 2.417 178.154 175.900 -0.270 0.000 1.156 63 Y CA 2.257 60.219 58.100 -0.230 0.000 1.182 63 Y CB -0.631 37.782 38.460 -0.078 0.000 0.979 63 Y HN 0.254 nan 8.280 nan 0.000 0.521 64 Q N -1.152 118.542 119.800 -0.176 0.000 2.046 64 Q HA -0.221 4.125 4.340 0.009 0.000 0.200 64 Q C 2.134 177.882 176.000 -0.420 0.000 0.975 64 Q CA 1.597 57.242 55.803 -0.264 0.000 0.836 64 Q CB -0.417 28.216 28.738 -0.176 0.000 0.896 64 Q HN 0.647 nan 8.270 nan 0.000 0.428 65 H N 0.171 118.995 119.070 -0.411 0.000 2.387 65 H HA -0.128 4.433 4.556 0.010 0.000 0.299 65 H C 2.231 177.246 175.328 -0.523 0.000 1.090 65 H CA 1.219 57.019 56.048 -0.414 0.000 1.332 65 H CB -0.008 29.510 29.762 -0.405 0.000 1.386 65 H HN 0.150 nan 8.280 nan 0.000 0.516 66 L N 0.972 121.809 121.223 -0.642 0.000 2.046 66 L HA -0.099 4.247 4.340 0.009 0.000 0.208 66 L C 2.649 179.175 176.870 -0.574 0.000 1.077 66 L CA 1.707 56.119 54.840 -0.713 0.000 0.747 66 L CB -0.713 40.786 42.059 -0.935 0.000 0.896 66 L HN 0.161 nan 8.230 nan 0.000 0.432 67 A N -1.017 121.414 122.820 -0.647 0.000 1.902 67 A HA -0.232 4.093 4.320 0.009 0.000 0.217 67 A C 1.983 179.374 177.584 -0.321 0.000 1.181 67 A CA 1.856 53.587 52.037 -0.511 0.000 0.623 67 A CB -0.851 17.818 19.000 -0.552 0.000 0.818 67 A HN 0.530 nan 8.150 nan 0.000 0.443 68 D N -0.045 120.176 120.400 -0.298 0.000 2.311 68 D HA -0.098 4.547 4.640 0.009 0.000 0.212 68 D C 1.876 178.069 176.300 -0.178 0.000 0.972 68 D CA 1.519 55.391 54.000 -0.213 0.000 0.887 68 D CB -0.079 40.592 40.800 -0.215 0.000 0.915 68 D HN 0.612 nan 8.370 nan 0.000 0.497 69 S N -1.306 114.268 115.700 -0.209 0.000 2.540 69 S HA 0.146 4.622 4.470 0.009 0.000 0.218 69 S C 0.694 175.201 174.600 -0.155 0.000 0.977 69 S CA -0.394 57.706 58.200 -0.167 0.000 0.918 69 S CB 0.850 63.941 63.200 -0.181 0.000 0.806 69 S HN -0.057 nan 8.310 nan 0.000 0.496 70 K N 1.387 121.682 120.400 -0.174 0.000 2.346 70 K HA 0.354 4.680 4.320 0.009 0.000 0.238 70 K C -1.043 175.494 176.600 -0.104 0.000 1.039 70 K CA -0.906 55.297 56.287 -0.140 0.000 0.861 70 K CB 0.773 33.167 32.500 -0.178 0.000 1.278 70 K HN 0.116 nan 8.250 nan 0.000 0.460 71 N N 1.904 120.561 118.700 -0.072 0.000 2.422 71 N HA -0.021 4.725 4.740 0.009 0.000 0.264 71 N C -0.039 175.436 175.510 -0.058 0.000 1.063 71 N CA 0.246 53.265 53.050 -0.052 0.000 0.959 71 N CB 0.853 39.324 38.487 -0.026 0.000 1.087 71 N HN 0.451 nan 8.380 nan 0.000 0.483 72 D N 2.262 122.630 120.400 -0.053 0.000 2.369 72 D HA -0.179 4.466 4.640 0.009 0.000 0.213 72 D C 0.058 176.335 176.300 -0.038 0.000 0.982 72 D CA 1.101 55.074 54.000 -0.045 0.000 0.931 72 D CB 0.264 41.046 40.800 -0.030 0.000 0.889 72 D HN 0.563 nan 8.370 nan 0.000 0.487 73 N N 0.700 119.375 118.700 -0.041 0.000 2.204 73 N HA 0.021 4.766 4.740 0.009 0.000 0.219 73 N C -0.293 175.169 175.510 -0.079 0.000 1.151 73 N CA -0.064 52.957 53.050 -0.049 0.000 0.867 73 N CB 0.992 39.459 38.487 -0.033 0.000 1.043 73 N HN 0.134 nan 8.380 nan 0.000 0.516 74 D N 0.574 120.931 120.400 -0.071 0.000 2.277 74 D HA 0.213 4.858 4.640 0.009 0.000 0.250 74 D C 0.185 176.436 176.300 -0.082 0.000 1.032 74 D CA -0.197 53.758 54.000 -0.074 0.000 0.947 74 D CB 1.079 41.858 40.800 -0.034 0.000 1.159 74 D HN -0.084 nan 8.370 nan 0.000 0.460 75 N N 0.392 119.045 118.700 -0.078 0.000 2.467 75 N HA 0.359 5.105 4.740 0.009 0.000 0.262 75 N C -0.299 175.232 175.510 0.035 0.000 1.234 75 N CA 0.112 53.132 53.050 -0.050 0.000 0.952 75 N CB 1.043 39.502 38.487 -0.046 0.000 1.158 75 N HN 0.313 nan 8.380 nan 0.000 0.463 76 I N 1.408 122.040 120.570 0.103 0.000 2.571 76 I HA 0.283 4.459 4.170 0.009 0.000 0.286 76 I C -1.438 174.904 176.117 0.374 0.000 1.134 76 I CA -0.557 60.852 61.300 0.182 0.000 1.052 76 I CB 1.361 39.421 38.000 0.099 0.000 1.237 76 I HN 0.245 nan 8.210 nan 0.000 0.435 77 F N 8.715 128.821 119.950 0.260 0.000 2.569 77 F HA 0.804 5.336 4.527 0.009 0.000 0.312 77 F C -1.551 174.540 175.800 0.485 0.000 1.109 77 F CA -0.776 57.411 58.000 0.311 0.000 0.919 77 F CB 1.765 40.913 39.000 0.247 0.000 1.211 77 F HN 0.221 nan 8.300 nan 0.000 0.446 78 L N 2.341 123.429 121.223 -0.224 0.000 2.794 78 L HA 0.502 4.847 4.340 0.009 0.000 0.261 78 L C -1.607 175.258 176.870 -0.009 0.000 0.989 78 L CA -0.655 54.281 54.840 0.159 0.000 0.900 78 L CB 0.897 43.163 42.059 0.345 0.000 1.473 78 L HN 0.538 nan 8.230 nan 0.000 0.414 79 S N 1.495 117.311 115.700 0.194 0.000 2.461 79 S HA 0.671 5.146 4.470 0.009 0.000 0.322 79 S C -1.928 172.658 174.600 -0.023 0.000 1.063 79 S CA -1.114 57.043 58.200 -0.072 0.000 1.120 79 S CB 0.967 64.028 63.200 -0.232 0.000 0.968 79 S HN 0.643 nan 8.310 nan 0.000 0.467 80 P HA -0.036 nan 4.420 nan 0.000 0.221 80 P C 1.489 178.902 177.300 0.188 0.000 1.150 80 P CA 0.181 63.359 63.100 0.129 0.000 0.800 80 P CB 0.107 31.910 31.700 0.172 0.000 0.787 81 L N -0.160 121.127 121.223 0.107 0.000 2.046 81 L HA -0.129 4.216 4.340 0.009 0.000 0.208 81 L C 2.479 179.464 176.870 0.192 0.000 1.077 81 L CA 2.020 56.958 54.840 0.164 0.000 0.747 81 L CB -1.651 40.460 42.059 0.087 0.000 0.896 81 L HN -0.063 nan 8.230 nan 0.000 0.432 82 S N -0.500 115.274 115.700 0.123 0.000 2.353 82 S HA -0.224 4.251 4.470 0.009 0.000 0.222 82 S C 2.077 176.768 174.600 0.151 0.000 1.035 82 S CA 1.978 60.263 58.200 0.140 0.000 1.025 82 S CB -0.487 62.842 63.200 0.215 0.000 0.902 82 S HN 0.482 nan 8.310 nan 0.000 0.440 83 I N 0.977 121.660 120.570 0.187 0.000 2.208 83 I HA -0.151 4.025 4.170 0.009 0.000 0.245 83 I C 2.702 178.935 176.117 0.193 0.000 1.097 83 I CA 1.322 62.758 61.300 0.227 0.000 1.363 83 I CB -0.517 37.570 38.000 0.145 0.000 1.051 83 I HN 0.282 nan 8.210 nan 0.000 0.413 84 S N -0.061 115.739 115.700 0.168 0.000 2.399 84 S HA -0.160 4.315 4.470 0.009 0.000 0.231 84 S C 2.043 176.707 174.600 0.106 0.000 1.022 84 S CA 1.852 60.150 58.200 0.163 0.000 0.983 84 S CB -0.257 63.183 63.200 0.400 0.000 0.803 84 S HN 0.485 nan 8.310 nan 0.000 0.480 85 T N 1.872 116.432 114.554 0.010 0.000 2.812 85 T HA 0.064 4.420 4.350 0.009 0.000 0.264 85 T C 2.135 176.549 174.700 -0.477 0.000 1.042 85 T CA 1.095 62.947 62.100 -0.413 0.000 1.140 85 T CB -0.396 68.319 68.868 -0.254 0.000 0.870 85 T HN 0.434 nan 8.240 nan 0.000 0.445 86 A N 0.758 123.418 122.820 -0.267 0.000 1.930 86 A HA 0.057 4.382 4.320 0.009 0.000 0.217 86 A C 1.841 179.130 177.584 -0.491 0.000 1.175 86 A CA 1.162 52.992 52.037 -0.345 0.000 0.627 86 A CB -0.903 17.952 19.000 -0.242 0.000 0.815 86 A HN 0.484 nan 8.150 nan 0.000 0.443 87 F N -0.324 119.379 119.950 -0.411 0.000 2.661 87 F HA 0.134 4.667 4.527 0.009 0.000 0.298 87 F C 2.467 177.997 175.800 -0.450 0.000 1.137 87 F CA 0.599 58.278 58.000 -0.535 0.000 1.454 87 F CB 0.018 38.388 39.000 -1.050 0.000 1.103 87 F HN 0.271 nan 8.300 nan 0.000 0.577 88 A N -0.450 122.197 122.820 -0.289 0.000 1.935 88 A HA -0.069 4.256 4.320 0.009 0.000 0.214 88 A C 2.160 179.668 177.584 -0.127 0.000 1.178 88 A CA 0.811 52.742 52.037 -0.176 0.000 0.640 88 A CB -0.490 18.292 19.000 -0.363 0.000 0.825 88 A HN 0.272 nan 8.150 nan 0.000 0.447 89 M N -0.419 118.912 119.600 -0.448 0.000 2.159 89 M HA -0.131 4.355 4.480 0.009 0.000 0.263 89 M C 2.059 178.312 176.300 -0.079 0.000 1.063 89 M CA 1.921 57.024 55.300 -0.328 0.000 1.110 89 M CB -0.457 31.852 32.600 -0.485 0.000 1.374 89 M HN 0.399 nan 8.290 nan 0.000 0.411 90 T N -0.207 114.251 114.554 -0.160 0.000 2.904 90 T HA -0.122 4.234 4.350 0.009 0.000 0.267 90 T C 1.719 176.410 174.700 -0.015 0.000 1.059 90 T CA 0.972 63.002 62.100 -0.116 0.000 1.137 90 T CB -0.141 68.561 68.868 -0.276 0.000 0.879 90 T HN 0.351 nan 8.240 nan 0.000 0.467 91 K N 0.896 121.322 120.400 0.044 0.000 2.362 91 K HA 0.094 4.419 4.320 0.009 0.000 0.200 91 K C 1.968 178.658 176.600 0.150 0.000 1.046 91 K CA 0.469 56.832 56.287 0.127 0.000 0.952 91 K CB -0.222 32.402 32.500 0.206 0.000 0.753 91 K HN 0.337 nan 8.250 nan 0.000 0.466 92 L N -0.413 120.885 121.223 0.125 0.000 2.261 92 L HA -0.129 4.217 4.340 0.009 0.000 0.216 92 L C 1.827 178.758 176.870 0.103 0.000 1.114 92 L CA 1.330 56.189 54.840 0.032 0.000 0.777 92 L CB -0.184 41.919 42.059 0.074 0.000 0.910 92 L HN 0.311 nan 8.230 nan 0.000 0.440 93 G N -1.192 107.638 108.800 0.051 0.000 3.651 93 G HA2 0.472 4.438 3.960 0.009 0.000 0.279 93 G HA3 0.472 4.438 3.960 0.009 0.000 0.279 93 G C 0.268 175.130 174.900 -0.064 0.000 1.024 93 G CA 0.311 45.357 45.100 -0.090 0.000 0.813 93 G HN 0.260 nan 8.290 nan 0.000 0.518 94 A N -0.688 122.130 122.820 -0.004 0.000 2.279 94 A HA 0.759 5.085 4.320 0.009 0.000 0.303 94 A C -0.476 177.122 177.584 0.023 0.000 1.108 94 A CA -0.509 51.531 52.037 0.004 0.000 0.830 94 A CB 1.266 20.280 19.000 0.024 0.000 1.106 94 A HN 0.488 nan 8.150 nan 0.000 0.493 95 c N 0.191 118.801 118.600 0.017 0.000 3.291 95 c HA 0.646 5.222 4.570 0.009 0.000 0.316 95 c C 0.645 174.749 174.090 0.023 0.000 1.391 95 c CA 0.033 56.379 56.329 0.029 0.000 1.394 95 c CB 0.200 42.721 42.510 0.019 0.000 1.744 95 c HN 1.244 nan 8.230 nan 0.000 0.461 96 N N 1.143 119.865 118.700 0.036 0.000 1.192 96 N HA -0.236 4.509 4.740 0.009 0.000 0.127 96 N C -0.106 175.397 175.510 -0.010 0.000 0.811 96 N CA 1.478 54.545 53.050 0.029 0.000 0.897 96 N CB -0.874 37.626 38.487 0.022 0.000 1.110 96 N HN 0.828 nan 8.380 nan 0.000 0.573 97 D N 0.245 120.637 120.400 -0.014 0.000 2.117 97 D HA -0.057 4.588 4.640 0.009 0.000 0.198 97 D C 1.809 178.080 176.300 -0.048 0.000 0.982 97 D CA 1.874 55.849 54.000 -0.041 0.000 0.828 97 D CB -0.765 40.028 40.800 -0.012 0.000 0.967 97 D HN 0.431 nan 8.370 nan 0.000 0.464 98 T N 1.714 116.257 114.554 -0.018 0.000 2.665 98 T HA -0.171 4.184 4.350 0.009 0.000 0.268 98 T C 1.878 176.572 174.700 -0.010 0.000 1.035 98 T CA 0.760 62.855 62.100 -0.008 0.000 1.151 98 T CB -0.370 68.496 68.868 -0.004 0.000 0.862 98 T HN 0.046 nan 8.240 nan 0.000 0.438 99 L N 0.963 122.178 121.223 -0.013 0.000 2.131 99 L HA -0.008 4.338 4.340 0.009 0.000 0.210 99 L C 2.364 179.184 176.870 -0.084 0.000 1.092 99 L CA 1.721 56.563 54.840 0.004 0.000 0.759 99 L CB -0.844 41.240 42.059 0.041 0.000 0.903 99 L HN 0.258 nan 8.230 nan 0.000 0.435 100 Q N -1.157 118.504 119.800 -0.232 0.000 2.062 100 Q HA -0.200 4.145 4.340 0.009 0.000 0.196 100 Q C 2.233 178.101 176.000 -0.220 0.000 0.967 100 Q CA 1.488 56.992 55.803 -0.498 0.000 0.832 100 Q CB -0.043 28.318 28.738 -0.629 0.000 0.899 100 Q HN 0.635 nan 8.270 nan 0.000 0.442 101 Q N 0.217 119.955 119.800 -0.105 0.000 2.096 101 Q HA -0.179 4.167 4.340 0.009 0.000 0.204 101 Q C 2.208 178.234 176.000 0.042 0.000 0.982 101 Q CA 1.369 57.157 55.803 -0.024 0.000 0.850 101 Q CB -0.065 28.677 28.738 0.006 0.000 0.901 101 Q HN 0.399 nan 8.270 nan 0.000 0.422 102 L N -0.304 120.966 121.223 0.078 0.000 2.017 102 L HA -0.208 4.137 4.340 0.009 0.000 0.208 102 L C 2.469 179.477 176.870 0.231 0.000 1.073 102 L CA 0.798 55.754 54.840 0.193 0.000 0.745 102 L CB -0.347 41.804 42.059 0.153 0.000 0.894 102 L HN 0.385 nan 8.230 nan 0.000 0.432 103 M N -0.517 119.183 119.600 0.167 0.000 2.202 103 M HA -0.212 4.273 4.480 0.009 0.000 0.262 103 M C 2.035 178.419 176.300 0.140 0.000 1.063 103 M CA 1.791 57.231 55.300 0.233 0.000 1.097 103 M CB -0.791 31.927 32.600 0.197 0.000 1.382 103 M HN 0.325 nan 8.290 nan 0.000 0.413 104 E N -0.803 119.434 120.200 0.061 0.000 2.060 104 E HA -0.068 4.288 4.350 0.009 0.000 0.189 104 E C 2.051 178.633 176.600 -0.030 0.000 0.974 104 E CA 0.730 57.146 56.400 0.025 0.000 0.808 104 E CB -0.018 29.689 29.700 0.011 0.000 0.768 104 E HN 0.207 nan 8.360 nan 0.000 0.453 105 V N 0.836 120.723 119.914 -0.045 0.000 2.469 105 V HA -0.221 3.905 4.120 0.009 0.000 0.251 105 V C 1.462 177.310 176.094 -0.409 0.000 1.064 105 V CA 1.600 63.787 62.300 -0.187 0.000 1.066 105 V CB -0.415 31.273 31.823 -0.225 0.000 0.667 105 V HN 0.201 nan 8.190 nan 0.000 0.461 106 F N -0.302 119.430 119.950 -0.364 0.000 2.693 106 F HA 0.294 4.827 4.527 0.009 0.000 0.303 106 F C 1.274 176.650 175.800 -0.707 0.000 1.097 106 F CA -0.384 57.192 58.000 -0.706 0.000 1.330 106 F CB 0.110 38.395 39.000 -1.193 0.000 1.067 106 F HN -0.027 nan 8.300 nan 0.000 0.565 107 K N -1.703 118.534 120.400 -0.271 0.000 3.472 107 K HA -0.248 4.078 4.320 0.009 0.000 0.315 107 K C 0.772 177.345 176.600 -0.044 0.000 1.320 107 K CA 0.724 56.933 56.287 -0.130 0.000 0.962 107 K CB -2.854 29.596 32.500 -0.082 0.000 1.251 107 K HN 0.294 nan 8.250 nan 0.000 0.443 108 F N 2.044 122.064 119.950 0.118 0.000 2.333 108 F HA -0.112 4.421 4.527 0.009 0.000 0.300 108 F C 1.966 177.827 175.800 0.102 0.000 1.083 108 F CA 1.470 59.528 58.000 0.096 0.000 1.395 108 F CB -0.488 38.574 39.000 0.102 0.000 1.056 108 F HN 0.185 nan 8.300 nan 0.000 0.529 109 D N -0.486 120.069 120.400 0.259 0.000 2.332 109 D HA -0.074 4.571 4.640 0.009 0.000 0.244 109 D C 1.331 177.718 176.300 0.145 0.000 1.136 109 D CA 1.090 55.223 54.000 0.221 0.000 0.884 109 D CB -1.027 39.911 40.800 0.230 0.000 0.906 109 D HN 0.393 nan 8.370 nan 0.000 0.520 110 T N -3.010 111.613 114.554 0.116 0.000 3.003 110 T HA 0.262 4.618 4.350 0.009 0.000 0.261 110 T C 0.958 175.690 174.700 0.054 0.000 1.003 110 T CA -0.491 61.647 62.100 0.064 0.000 0.917 110 T CB -0.090 68.792 68.868 0.022 0.000 1.084 110 T HN 0.054 nan 8.240 nan 0.000 0.522 111 I N 3.847 124.470 120.570 0.088 0.000 2.496 111 I HA 0.171 4.346 4.170 0.009 0.000 0.285 111 I C 0.544 176.701 176.117 0.067 0.000 1.080 111 I CA -0.598 60.739 61.300 0.062 0.000 1.404 111 I CB 1.116 39.178 38.000 0.104 0.000 1.403 111 I HN 0.293 nan 8.210 nan 0.000 0.539 112 S N 5.702 121.422 115.700 0.034 0.000 3.355 112 S HA 0.216 4.691 4.470 0.009 0.000 0.293 112 S C -0.090 174.550 174.600 0.067 0.000 1.197 112 S CA -0.459 57.767 58.200 0.043 0.000 1.117 112 S CB -0.372 62.844 63.200 0.028 0.000 1.587 112 S HN 0.489 nan 8.310 nan 0.000 0.536 113 E N 1.230 121.491 120.200 0.102 0.000 2.356 113 E HA 0.329 4.685 4.350 0.009 0.000 0.275 113 E C -0.128 176.532 176.600 0.100 0.000 0.904 113 E CA -0.678 55.807 56.400 0.142 0.000 0.757 113 E CB 1.816 31.657 29.700 0.234 0.000 1.232 113 E HN 0.435 nan 8.360 nan 0.000 0.442 114 K N -0.047 120.402 120.400 0.081 0.000 2.400 114 K HA 0.083 4.408 4.320 0.009 0.000 0.194 114 K C 0.486 177.103 176.600 0.028 0.000 1.033 114 K CA 0.593 56.902 56.287 0.037 0.000 1.021 114 K CB 0.379 32.894 32.500 0.024 0.000 0.808 114 K HN 0.511 nan 8.250 nan 0.000 0.505 115 T N -2.091 112.505 114.554 0.070 0.000 2.861 115 T HA 0.138 4.493 4.350 0.009 0.000 0.287 115 T C 1.009 175.788 174.700 0.132 0.000 1.003 115 T CA -0.754 61.393 62.100 0.079 0.000 0.977 115 T CB 1.899 70.806 68.868 0.065 0.000 0.996 115 T HN 0.001 nan 8.240 nan 0.000 0.448 116 S N 1.807 117.610 115.700 0.172 0.000 2.402 116 S HA -0.260 4.216 4.470 0.009 0.000 0.233 116 S C 1.423 176.149 174.600 0.210 0.000 1.030 116 S CA 1.801 60.135 58.200 0.223 0.000 1.003 116 S CB -0.971 62.402 63.200 0.288 0.000 0.813 116 S HN 0.954 nan 8.310 nan 0.000 0.477 117 D N 0.397 120.915 120.400 0.198 0.000 2.269 117 D HA -0.108 4.537 4.640 0.009 0.000 0.208 117 D C 1.965 178.385 176.300 0.201 0.000 0.963 117 D CA 0.613 54.753 54.000 0.234 0.000 0.864 117 D CB -0.309 40.554 40.800 0.105 0.000 0.936 117 D HN 0.237 nan 8.370 nan 0.000 0.505 118 Q N -0.037 119.832 119.800 0.116 0.000 2.311 118 Q HA 0.011 4.357 4.340 0.009 0.000 0.203 118 Q C 2.110 178.106 176.000 -0.007 0.000 0.954 118 Q CA 0.126 55.951 55.803 0.036 0.000 0.885 118 Q CB -0.251 28.541 28.738 0.090 0.000 0.963 118 Q HN 0.462 nan 8.270 nan 0.000 0.471 119 I N 1.125 121.730 120.570 0.059 0.000 2.163 119 I HA -0.313 3.863 4.170 0.009 0.000 0.243 119 I C 1.767 177.827 176.117 -0.095 0.000 1.085 119 I CA 1.713 63.019 61.300 0.011 0.000 1.347 119 I CB -0.498 37.375 38.000 -0.212 0.000 1.044 119 I HN 0.291 nan 8.210 nan 0.000 0.408 120 H N -0.544 118.504 119.070 -0.037 0.000 2.426 120 H HA -0.253 4.308 4.556 0.010 0.000 0.298 120 H C 2.083 177.356 175.328 -0.093 0.000 1.107 120 H CA 1.941 57.962 56.048 -0.044 0.000 1.298 120 H CB -0.722 28.983 29.762 -0.095 0.000 1.377 120 H HN 0.400 nan 8.280 nan 0.000 0.519 121 F N 1.285 121.098 119.950 -0.227 0.000 2.186 121 F HA -0.154 4.378 4.527 0.010 0.000 0.299 121 F C 1.843 177.473 175.800 -0.284 0.000 1.090 121 F CA 0.851 58.637 58.000 -0.356 0.000 1.307 121 F CB -0.500 38.161 39.000 -0.564 0.000 1.019 121 F HN -0.106 nan 8.300 nan 0.000 0.489 122 F N -1.123 118.761 119.950 -0.111 0.000 2.259 122 F HA -0.051 4.482 4.527 0.010 0.000 0.298 122 F C 2.396 178.140 175.800 -0.094 0.000 1.088 122 F CA 0.753 58.642 58.000 -0.184 0.000 1.358 122 F CB -1.637 37.327 39.000 -0.059 0.000 1.040 122 F HN -0.018 nan 8.300 nan 0.000 0.505 123 F N 0.471 120.428 119.950 0.012 0.000 2.216 123 F HA -0.167 4.366 4.527 0.010 0.000 0.300 123 F C 2.378 178.198 175.800 0.035 0.000 1.085 123 F CA 0.804 58.833 58.000 0.048 0.000 1.326 123 F CB -0.061 38.984 39.000 0.076 0.000 1.027 123 F HN -0.027 nan 8.300 nan 0.000 0.497 124 A N 0.244 123.149 122.820 0.141 0.000 1.898 124 A HA -0.161 4.164 4.320 0.009 0.000 0.216 124 A C 2.209 179.777 177.584 -0.027 0.000 1.181 124 A CA 1.340 53.378 52.037 0.002 0.000 0.620 124 A CB -0.435 18.462 19.000 -0.171 0.000 0.819 124 A HN 0.248 nan 8.150 nan 0.000 0.442 125 K N -0.496 119.810 120.400 -0.157 0.000 2.002 125 K HA -0.139 4.187 4.320 0.009 0.000 0.209 125 K C 1.973 178.567 176.600 -0.010 0.000 1.048 125 K CA 1.381 57.591 56.287 -0.129 0.000 0.930 125 K CB -0.842 31.551 32.500 -0.178 0.000 0.714 125 K HN 0.431 nan 8.250 nan 0.000 0.438 126 L N 2.558 123.798 121.223 0.028 0.000 1.990 126 L HA -0.222 4.124 4.340 0.009 0.000 0.213 126 L C 1.595 178.487 176.870 0.037 0.000 1.072 126 L CA 1.926 56.779 54.840 0.022 0.000 0.755 126 L CB -0.933 41.115 42.059 -0.018 0.000 0.889 126 L HN 0.102 nan 8.230 nan 0.000 0.432 127 N N -0.813 117.994 118.700 0.177 0.000 2.205 127 N HA -0.197 4.549 4.740 0.009 0.000 0.186 127 N C 1.892 177.496 175.510 0.157 0.000 1.015 127 N CA 1.669 54.867 53.050 0.246 0.000 0.862 127 N CB -0.945 37.829 38.487 0.479 0.000 0.986 127 N HN 0.490 nan 8.380 nan 0.000 0.429 128 c N 0.585 119.249 118.600 0.107 0.000 2.432 128 c HA -0.026 4.549 4.570 0.009 0.000 0.277 128 c C 2.468 176.579 174.090 0.035 0.000 1.249 128 c CA 0.459 56.838 56.329 0.083 0.000 1.725 128 c CB -0.814 41.719 42.510 0.039 0.000 2.028 128 c HN 0.506 nan 8.230 nan 0.000 0.477 129 R N 0.377 120.871 120.500 -0.011 0.000 2.148 129 R HA 0.020 4.366 4.340 0.009 0.000 0.223 129 R C 2.009 178.255 176.300 -0.090 0.000 1.088 129 R CA 0.924 57.008 56.100 -0.028 0.000 0.985 129 R CB -0.312 29.977 30.300 -0.017 0.000 0.880 129 R HN 0.528 nan 8.270 nan 0.000 0.451 130 L N -0.708 120.367 121.223 -0.246 0.000 2.109 130 L HA -0.103 4.243 4.340 0.009 0.000 0.207 130 L C 1.199 177.820 176.870 -0.415 0.000 1.086 130 L CA 1.315 55.872 54.840 -0.471 0.000 0.760 130 L CB -0.014 41.466 42.059 -0.965 0.000 0.910 130 L HN 0.220 nan 8.230 nan 0.000 0.437 131 Y N -1.780 118.577 120.300 0.095 0.000 2.500 131 Y HA 0.286 4.842 4.550 0.009 0.000 0.246 131 Y C 0.536 176.481 175.900 0.074 0.000 1.146 131 Y CA -0.488 57.667 58.100 0.093 0.000 1.230 131 Y CB 0.441 38.959 38.460 0.097 0.000 1.214 131 Y HN -0.117 nan 8.280 nan 0.000 0.526 132 R N 1.558 122.149 120.500 0.152 0.000 2.564 132 R HA 0.380 4.726 4.340 0.009 0.000 0.282 132 R C -0.959 175.386 176.300 0.075 0.000 1.573 132 R CA -0.254 55.914 56.100 0.113 0.000 1.588 132 R CB 0.729 31.093 30.300 0.105 0.000 1.154 132 R HN 0.067 nan 8.270 nan 0.000 0.606 133 K N 0.169 120.614 120.400 0.074 0.000 2.422 133 K HA 0.426 4.752 4.320 0.009 0.000 0.251 133 K C 0.381 177.014 176.600 0.056 0.000 0.933 133 K CA -0.483 55.839 56.287 0.058 0.000 0.798 133 K CB 2.195 34.728 32.500 0.056 0.000 1.238 133 K HN 0.285 nan 8.250 nan 0.000 0.428 134 A N 2.721 125.569 122.820 0.046 0.000 1.969 134 A HA -0.150 4.176 4.320 0.009 0.000 0.218 134 A C 1.395 179.005 177.584 0.043 0.000 1.169 134 A CA 1.478 53.540 52.037 0.041 0.000 0.635 134 A CB -0.647 18.374 19.000 0.034 0.000 0.810 134 A HN 0.918 nan 8.150 nan 0.000 0.445 135 N N -0.039 118.688 118.700 0.046 0.000 1.997 135 N HA -0.179 4.567 4.740 0.009 0.000 0.198 135 N C -0.262 175.280 175.510 0.053 0.000 1.070 135 N CA 1.260 54.339 53.050 0.049 0.000 0.864 135 N CB -0.302 38.217 38.487 0.054 0.000 1.066 135 N HN 0.347 nan 8.380 nan 0.000 0.425 136 K N -0.176 120.262 120.400 0.063 0.000 3.244 136 K HA -0.159 4.167 4.320 0.009 0.000 0.270 136 K C 0.275 176.912 176.600 0.061 0.000 1.016 136 K CA -0.155 56.172 56.287 0.067 0.000 0.754 136 K CB -1.268 31.267 32.500 0.058 0.000 1.326 136 K HN 0.196 nan 8.250 nan 0.000 0.465 137 S N -0.269 115.475 115.700 0.072 0.000 2.338 137 S HA -0.060 4.415 4.470 0.009 0.000 0.218 137 S C 0.903 175.540 174.600 0.062 0.000 1.032 137 S CA 0.969 59.213 58.200 0.073 0.000 0.999 137 S CB 0.183 63.441 63.200 0.098 0.000 0.905 137 S HN 0.494 nan 8.310 nan 0.000 0.439 138 S N 0.676 116.422 115.700 0.077 0.000 2.638 138 S HA 0.407 4.882 4.470 0.009 0.000 0.298 138 S C -0.353 174.270 174.600 0.037 0.000 1.111 138 S CA -0.771 57.443 58.200 0.022 0.000 1.027 138 S CB 1.597 64.847 63.200 0.085 0.000 1.064 138 S HN 0.252 nan 8.310 nan 0.000 0.525 139 K N 1.590 121.965 120.400 -0.042 0.000 2.262 139 K HA 0.429 4.755 4.320 0.009 0.000 0.282 139 K C -1.618 175.075 176.600 0.155 0.000 1.066 139 K CA -0.458 55.857 56.287 0.046 0.000 0.901 139 K CB 0.256 32.773 32.500 0.029 0.000 1.089 139 K HN 0.388 nan 8.250 nan 0.000 0.476 140 L N 6.588 127.967 121.223 0.259 0.000 2.457 140 L HA 0.332 4.678 4.340 0.009 0.000 0.266 140 L C -1.302 175.830 176.870 0.436 0.000 0.979 140 L CA -0.679 54.399 54.840 0.398 0.000 0.857 140 L CB 1.542 43.841 42.059 0.401 0.000 1.213 140 L HN 0.402 nan 8.230 nan 0.000 0.418 141 V N 1.326 121.451 119.914 0.353 0.000 2.864 141 V HA 0.979 5.104 4.120 0.009 0.000 0.314 141 V C -0.419 175.607 176.094 -0.113 0.000 1.073 141 V CA -0.416 61.972 62.300 0.147 0.000 0.956 141 V CB 1.808 33.683 31.823 0.088 0.000 1.023 141 V HN 0.775 nan 8.190 nan 0.000 0.435 142 S N 1.573 116.974 115.700 -0.497 0.000 2.546 142 S HA 0.919 5.394 4.470 0.009 0.000 0.274 142 S C -0.739 173.684 174.600 -0.296 0.000 1.121 142 S CA 0.082 57.947 58.200 -0.558 0.000 0.887 142 S CB 1.725 64.153 63.200 -1.286 0.000 1.094 142 S HN 2.269 nan 8.310 nan 0.000 0.474 143 A N 3.713 126.452 122.820 -0.135 0.000 2.429 143 A HA 0.700 5.026 4.320 0.009 0.000 0.289 143 A C -1.203 176.504 177.584 0.205 0.000 1.043 143 A CA -0.829 51.223 52.037 0.024 0.000 0.722 143 A CB 1.015 19.999 19.000 -0.027 0.000 1.243 143 A HN 0.737 nan 8.150 nan 0.000 0.415 144 N N 1.257 120.063 118.700 0.178 0.000 2.384 144 N HA 0.761 5.507 4.740 0.009 0.000 0.301 144 N C -0.417 175.096 175.510 0.005 0.000 1.133 144 N CA -0.434 52.685 53.050 0.114 0.000 0.853 144 N CB 2.258 40.729 38.487 -0.026 0.000 1.241 144 N HN 0.814 nan 8.380 nan 0.000 0.502 145 R N 0.776 121.141 120.500 -0.224 0.000 2.664 145 R HA 0.434 4.780 4.340 0.009 0.000 0.266 145 R C -1.783 174.129 176.300 -0.646 0.000 1.046 145 R CA -0.549 55.163 56.100 -0.647 0.000 0.885 145 R CB 1.155 30.593 30.300 -1.437 0.000 1.254 145 R HN 0.445 nan 8.270 nan 0.000 0.465 146 L N 3.144 123.917 121.223 -0.751 0.000 2.334 146 L HA 0.612 4.957 4.340 0.009 0.000 0.273 146 L C -1.024 175.364 176.870 -0.802 0.000 1.013 146 L CA -0.823 53.688 54.840 -0.548 0.000 0.816 146 L CB 1.614 43.436 42.059 -0.394 0.000 1.278 146 L HN 0.533 nan 8.230 nan 0.000 0.431 147 F N 0.637 120.481 119.950 -0.178 0.000 2.513 147 F HA 0.537 5.069 4.527 0.009 0.000 0.358 147 F C 0.668 176.486 175.800 0.029 0.000 1.118 147 F CA -0.600 57.330 58.000 -0.117 0.000 1.037 147 F CB 1.752 40.750 39.000 -0.003 0.000 1.276 147 F HN 0.405 nan 8.300 nan 0.000 0.446 148 G N 1.117 109.890 108.800 -0.045 0.000 2.410 148 G HA2 0.359 4.325 3.960 0.009 0.000 0.330 148 G HA3 0.359 4.325 3.960 0.009 0.000 0.330 148 G C -1.315 173.718 174.900 0.221 0.000 1.142 148 G CA -0.642 44.513 45.100 0.091 0.000 0.902 148 G HN 0.499 nan 8.290 nan 0.000 0.491 149 D N 0.010 120.716 120.400 0.510 0.000 2.458 149 D HA -0.017 4.628 4.640 0.009 0.000 0.243 149 D C 1.526 177.928 176.300 0.170 0.000 1.146 149 D CA 0.062 54.197 54.000 0.225 0.000 0.877 149 D CB 1.014 42.025 40.800 0.352 0.000 1.176 149 D HN 0.391 nan 8.370 nan 0.000 0.461 150 K N 1.762 122.167 120.400 0.008 0.000 2.281 150 K HA -0.172 4.154 4.320 0.009 0.000 0.203 150 K C 1.437 178.057 176.600 0.034 0.000 1.046 150 K CA 1.425 57.721 56.287 0.015 0.000 0.938 150 K CB 0.004 32.479 32.500 -0.042 0.000 0.737 150 K HN 0.483 nan 8.250 nan 0.000 0.458 151 S N -0.294 115.423 115.700 0.029 0.000 2.524 151 S HA 0.123 4.598 4.470 0.009 0.000 0.216 151 S C 0.764 175.346 174.600 -0.030 0.000 0.987 151 S CA -0.470 57.732 58.200 0.003 0.000 0.909 151 S CB -0.092 63.110 63.200 0.003 0.000 0.781 151 S HN 0.119 nan 8.310 nan 0.000 0.521 152 L N 1.578 122.766 121.223 -0.059 0.000 2.421 152 L HA 0.439 4.785 4.340 0.009 0.000 0.263 152 L C -0.185 176.535 176.870 -0.251 0.000 1.122 152 L CA -0.542 54.160 54.840 -0.231 0.000 0.804 152 L CB 1.164 42.929 42.059 -0.490 0.000 1.150 152 L HN 0.028 nan 8.230 nan 0.000 0.457 153 T N 1.604 115.979 114.554 -0.299 0.000 2.770 153 T HA 0.447 4.803 4.350 0.009 0.000 0.297 153 T C -0.434 174.110 174.700 -0.259 0.000 0.997 153 T CA -0.272 61.729 62.100 -0.165 0.000 0.949 153 T CB 0.050 68.865 68.868 -0.087 0.000 0.941 153 T HN 0.084 nan 8.240 nan 0.000 0.457 154 F N 2.954 122.913 119.950 0.014 0.000 2.384 154 F HA 0.288 4.821 4.527 0.009 0.000 0.338 154 F C 1.311 177.137 175.800 0.044 0.000 1.103 154 F CA -0.957 57.064 58.000 0.035 0.000 1.157 154 F CB 0.598 39.643 39.000 0.075 0.000 1.167 154 F HN 0.407 nan 8.300 nan 0.000 0.529 155 N N 2.780 121.609 118.700 0.216 0.000 2.292 155 N HA -0.125 4.620 4.740 0.009 0.000 0.258 155 N C 0.965 176.586 175.510 0.185 0.000 1.261 155 N CA 0.479 53.621 53.050 0.153 0.000 0.845 155 N CB 0.617 39.183 38.487 0.132 0.000 1.064 155 N HN 0.728 nan 8.380 nan 0.000 0.471 156 E N 1.605 121.866 120.200 0.102 0.000 2.107 156 E HA -0.128 4.227 4.350 0.009 0.000 0.191 156 E C 1.364 177.986 176.600 0.037 0.000 0.982 156 E CA 1.587 58.025 56.400 0.063 0.000 0.809 156 E CB 0.143 29.862 29.700 0.031 0.000 0.756 156 E HN 0.848 nan 8.360 nan 0.000 0.459 157 T N -1.187 113.395 114.554 0.046 0.000 2.812 157 T HA -0.187 4.168 4.350 0.009 0.000 0.264 157 T C 1.989 176.697 174.700 0.013 0.000 1.042 157 T CA 1.063 63.172 62.100 0.013 0.000 1.140 157 T CB -0.787 68.089 68.868 0.012 0.000 0.870 157 T HN 0.201 nan 8.240 nan 0.000 0.445 158 Y N 1.925 122.205 120.300 -0.035 0.000 2.114 158 Y HA -0.186 4.370 4.550 0.009 0.000 0.282 158 Y C 2.765 178.630 175.900 -0.060 0.000 1.165 158 Y CA 1.895 59.968 58.100 -0.045 0.000 1.148 158 Y CB -0.673 37.780 38.460 -0.012 0.000 0.972 158 Y HN 0.267 nan 8.280 nan 0.000 0.504 159 Q N -0.134 119.571 119.800 -0.158 0.000 2.061 159 Q HA -0.225 4.120 4.340 0.009 0.000 0.204 159 Q C 1.778 177.615 176.000 -0.272 0.000 0.984 159 Q CA 1.968 57.602 55.803 -0.281 0.000 0.846 159 Q CB -0.142 28.544 28.738 -0.086 0.000 0.902 159 Q HN 0.539 nan 8.270 nan 0.000 0.421 160 D N 0.178 120.478 120.400 -0.167 0.000 2.097 160 D HA -0.158 4.488 4.640 0.009 0.000 0.195 160 D C 1.843 178.037 176.300 -0.175 0.000 0.989 160 D CA 1.072 54.986 54.000 -0.144 0.000 0.827 160 D CB -0.214 40.531 40.800 -0.092 0.000 0.966 160 D HN 0.323 nan 8.370 nan 0.000 0.456 161 I N 0.712 121.165 120.570 -0.195 0.000 2.286 161 I HA -0.230 3.945 4.170 0.009 0.000 0.248 161 I C 2.271 178.229 176.117 -0.264 0.000 1.115 161 I CA 0.767 61.939 61.300 -0.213 0.000 1.392 161 I CB -0.085 37.793 38.000 -0.204 0.000 1.065 161 I HN -0.098 nan 8.210 nan 0.000 0.418 162 S N 0.014 115.515 115.700 -0.333 0.000 2.368 162 S HA -0.235 4.241 4.470 0.009 0.000 0.224 162 S C 1.924 176.403 174.600 -0.201 0.000 1.029 162 S CA 1.348 59.380 58.200 -0.279 0.000 0.988 162 S CB -0.237 62.670 63.200 -0.488 0.000 0.838 162 S HN 0.470 nan 8.310 nan 0.000 0.462 163 E N 0.446 120.513 120.200 -0.222 0.000 2.208 163 E HA -0.083 4.272 4.350 0.009 0.000 0.193 163 E C 1.964 178.486 176.600 -0.131 0.000 0.988 163 E CA 0.490 56.791 56.400 -0.166 0.000 0.828 163 E CB -0.032 29.569 29.700 -0.164 0.000 0.763 163 E HN 0.389 nan 8.360 nan 0.000 0.478 164 L N -0.141 120.993 121.223 -0.150 0.000 2.022 164 L HA -0.062 4.284 4.340 0.009 0.000 0.204 164 L C 2.185 178.962 176.870 -0.154 0.000 1.076 164 L CA 1.201 55.964 54.840 -0.127 0.000 0.749 164 L CB -0.460 41.526 42.059 -0.123 0.000 0.903 164 L HN -0.032 nan 8.230 nan 0.000 0.439 165 V N -0.885 118.873 119.914 -0.260 0.000 2.427 165 V HA -0.230 3.895 4.120 0.009 0.000 0.248 165 V C 1.537 177.311 176.094 -0.533 0.000 1.051 165 V CA 1.676 63.707 62.300 -0.449 0.000 1.048 165 V CB -0.615 30.782 31.823 -0.710 0.000 0.666 165 V HN 0.534 nan 8.190 nan 0.000 0.456 166 Y N -0.406 119.832 120.300 -0.103 0.000 2.557 166 Y HA 0.501 5.056 4.550 0.009 0.000 0.247 166 Y C 1.772 177.614 175.900 -0.098 0.000 1.164 166 Y CA -0.254 57.780 58.100 -0.110 0.000 1.218 166 Y CB 0.096 38.458 38.460 -0.164 0.000 1.210 166 Y HN 0.251 nan 8.280 nan 0.000 0.529 167 G N 1.007 109.812 108.800 0.008 0.000 2.203 167 G HA2 -0.239 3.727 3.960 0.009 0.000 0.263 167 G HA3 -0.239 3.727 3.960 0.009 0.000 0.263 167 G C 0.331 175.204 174.900 -0.044 0.000 1.012 167 G CA 0.286 45.376 45.100 -0.017 0.000 0.749 167 G HN 0.640 nan 8.290 nan 0.000 0.512 168 A N 0.178 122.957 122.820 -0.069 0.000 2.415 168 A HA 0.627 4.953 4.320 0.009 0.000 0.309 168 A C 0.701 178.137 177.584 -0.245 0.000 1.356 168 A CA -0.112 51.830 52.037 -0.159 0.000 0.998 168 A CB 0.330 19.236 19.000 -0.157 0.000 1.145 168 A HN 0.422 nan 8.150 nan 0.000 0.545 169 K N 1.468 121.700 120.400 -0.280 0.000 2.154 169 K HA 0.351 4.677 4.320 0.009 0.000 0.264 169 K C -0.584 175.761 176.600 -0.425 0.000 1.008 169 K CA -0.305 55.799 56.287 -0.305 0.000 0.937 169 K CB 1.291 33.635 32.500 -0.261 0.000 1.002 169 K HN 0.679 nan 8.250 nan 0.000 0.469 170 L N 3.018 124.013 121.223 -0.381 0.000 2.261 170 L HA 0.141 4.487 4.340 0.009 0.000 0.289 170 L C -0.335 176.284 176.870 -0.418 0.000 1.059 170 L CA -0.174 54.400 54.840 -0.443 0.000 0.816 170 L CB 0.775 42.592 42.059 -0.405 0.000 1.191 170 L HN 0.572 nan 8.230 nan 0.000 0.431 171 Q N 6.673 126.149 119.800 -0.540 0.000 2.241 171 Q HA 0.455 4.800 4.340 0.009 0.000 0.254 171 Q C -2.412 173.446 176.000 -0.237 0.000 0.917 171 Q CA -1.919 53.648 55.803 -0.393 0.000 0.919 171 Q CB 1.671 30.113 28.738 -0.492 0.000 1.237 171 Q HN 0.356 nan 8.270 nan 0.000 0.434 172 P HA 0.237 nan 4.420 nan 0.000 0.279 172 P C -1.379 175.830 177.300 -0.152 0.000 1.239 172 P CA -0.347 62.682 63.100 -0.118 0.000 0.789 172 P CB 0.779 32.434 31.700 -0.076 0.000 0.933 173 L N 2.355 123.410 121.223 -0.279 0.000 2.466 173 L HA 0.364 4.710 4.340 0.009 0.000 0.258 173 L C -0.786 175.770 176.870 -0.524 0.000 0.973 173 L CA -0.485 54.092 54.840 -0.439 0.000 0.826 173 L CB 2.170 43.829 42.059 -0.666 0.000 1.372 173 L HN 0.221 nan 8.230 nan 0.000 0.409 174 D N 1.455 121.657 120.400 -0.329 0.000 2.468 174 D HA 0.244 4.889 4.640 0.009 0.000 0.218 174 D C 0.445 176.678 176.300 -0.111 0.000 1.155 174 D CA 0.114 54.007 54.000 -0.180 0.000 0.924 174 D CB 0.289 41.045 40.800 -0.074 0.000 1.029 174 D HN 0.255 nan 8.370 nan 0.000 0.515 175 F N 2.012 121.983 119.950 0.034 0.000 2.335 175 F HA 0.167 4.699 4.527 0.009 0.000 0.296 175 F C 2.275 178.088 175.800 0.022 0.000 1.091 175 F CA 0.353 58.368 58.000 0.026 0.000 1.399 175 F CB -0.227 38.795 39.000 0.037 0.000 1.067 175 F HN 0.293 nan 8.300 nan 0.000 0.520 176 K N 0.070 120.589 120.400 0.199 0.000 2.063 176 K HA -0.206 4.119 4.320 0.009 0.000 0.208 176 K C 1.319 177.967 176.600 0.080 0.000 1.048 176 K CA 1.870 58.226 56.287 0.116 0.000 0.928 176 K CB -0.094 32.453 32.500 0.079 0.000 0.713 176 K HN 0.118 nan 8.250 nan 0.000 0.442 177 E N -0.975 119.263 120.200 0.063 0.000 2.562 177 E HA 0.139 4.495 4.350 0.009 0.000 0.214 177 E C -0.723 175.902 176.600 0.042 0.000 0.979 177 E CA -0.051 56.375 56.400 0.043 0.000 1.002 177 E CB 0.871 30.585 29.700 0.025 0.000 1.048 177 E HN 0.106 nan 8.360 nan 0.000 0.488 178 N N -0.256 118.478 118.700 0.058 0.000 2.639 178 N HA 0.147 4.893 4.740 0.009 0.000 0.265 178 N C 0.069 175.632 175.510 0.088 0.000 1.689 178 N CA 0.367 53.447 53.050 0.050 0.000 0.813 178 N CB 1.295 39.793 38.487 0.018 0.000 1.353 178 N HN 0.043 nan 8.380 nan 0.000 0.510 179 A N 0.657 123.549 122.820 0.121 0.000 1.892 179 A HA -0.188 4.138 4.320 0.009 0.000 0.218 179 A C 2.015 179.663 177.584 0.107 0.000 1.188 179 A CA 1.328 53.463 52.037 0.164 0.000 0.631 179 A CB -0.081 18.982 19.000 0.106 0.000 0.822 179 A HN 0.221 nan 8.150 nan 0.000 0.447 180 E N -0.155 120.079 120.200 0.057 0.000 2.077 180 E HA -0.187 4.169 4.350 0.009 0.000 0.193 180 E C 2.310 178.923 176.600 0.022 0.000 0.989 180 E CA 1.265 57.682 56.400 0.029 0.000 0.800 180 E CB -0.364 29.346 29.700 0.017 0.000 0.746 180 E HN 0.715 nan 8.360 nan 0.000 0.452 181 Q N -0.047 119.767 119.800 0.023 0.000 2.084 181 Q HA -0.083 4.263 4.340 0.009 0.000 0.202 181 Q C 2.341 178.342 176.000 0.001 0.000 0.978 181 Q CA 1.174 56.981 55.803 0.007 0.000 0.844 181 Q CB -0.166 28.574 28.738 0.002 0.000 0.898 181 Q HN 0.120 nan 8.270 nan 0.000 0.426 182 S N 0.662 116.378 115.700 0.026 0.000 2.356 182 S HA -0.150 4.325 4.470 0.009 0.000 0.223 182 S C 1.877 176.486 174.600 0.015 0.000 1.032 182 S CA 1.083 59.298 58.200 0.024 0.000 1.005 182 S CB -0.184 63.099 63.200 0.137 0.000 0.867 182 S HN 0.317 nan 8.310 nan 0.000 0.449 183 R N 1.251 121.775 120.500 0.041 0.000 2.080 183 R HA -0.104 4.241 4.340 0.009 0.000 0.236 183 R C 2.389 178.654 176.300 -0.057 0.000 1.137 183 R CA 1.485 57.572 56.100 -0.021 0.000 0.943 183 R CB -0.586 29.699 30.300 -0.025 0.000 0.846 183 R HN 0.369 nan 8.270 nan 0.000 0.431 184 A N 0.577 123.375 122.820 -0.035 0.000 1.978 184 A HA -0.157 4.169 4.320 0.009 0.000 0.220 184 A C 2.305 179.867 177.584 -0.038 0.000 1.170 184 A CA 1.822 53.839 52.037 -0.034 0.000 0.636 184 A CB -0.694 18.294 19.000 -0.020 0.000 0.810 184 A HN 0.596 nan 8.150 nan 0.000 0.448 185 A N -0.008 122.782 122.820 -0.050 0.000 1.873 185 A HA -0.031 4.295 4.320 0.009 0.000 0.215 185 A C 2.115 179.642 177.584 -0.095 0.000 1.186 185 A CA 1.431 53.438 52.037 -0.049 0.000 0.616 185 A CB -0.545 18.420 19.000 -0.058 0.000 0.823 185 A HN 0.499 nan 8.150 nan 0.000 0.442 186 I N 0.051 120.467 120.570 -0.258 0.000 2.113 186 I HA -0.270 3.906 4.170 0.009 0.000 0.238 186 I C 2.161 178.224 176.117 -0.089 0.000 1.070 186 I CA 1.305 62.343 61.300 -0.437 0.000 1.332 186 I CB -0.648 36.993 38.000 -0.598 0.000 1.044 186 I HN 0.279 nan 8.210 nan 0.000 0.402 187 N N 1.180 119.837 118.700 -0.072 0.000 2.091 187 N HA -0.264 4.481 4.740 0.009 0.000 0.193 187 N C 1.774 177.289 175.510 0.008 0.000 1.021 187 N CA 1.492 54.528 53.050 -0.023 0.000 0.862 187 N CB -0.420 38.041 38.487 -0.043 0.000 1.018 187 N HN 0.409 nan 8.380 nan 0.000 0.429 188 K N -0.361 120.048 120.400 0.016 0.000 2.057 188 K HA -0.164 4.162 4.320 0.009 0.000 0.206 188 K C 2.099 178.736 176.600 0.062 0.000 1.050 188 K CA 0.937 57.237 56.287 0.022 0.000 0.935 188 K CB -0.280 32.234 32.500 0.025 0.000 0.715 188 K HN 0.193 nan 8.250 nan 0.000 0.439 189 W N 1.267 122.552 121.300 -0.026 0.000 2.338 189 W HA -0.247 4.419 4.660 0.009 0.000 0.304 189 W C 1.616 178.150 176.519 0.025 0.000 1.212 189 W CA 1.484 58.851 57.345 0.035 0.000 1.264 189 W CB -0.432 29.125 29.460 0.163 0.000 1.142 189 W HN -0.150 nan 8.180 nan 0.000 0.512 190 V N 0.128 120.107 119.914 0.108 0.000 2.343 190 V HA -0.341 3.785 4.120 0.009 0.000 0.247 190 V C 2.567 178.548 176.094 -0.188 0.000 1.051 190 V CA 2.272 64.532 62.300 -0.065 0.000 1.036 190 V CB -1.355 30.515 31.823 0.078 0.000 0.654 190 V HN 0.360 nan 8.190 nan 0.000 0.451 191 S N 0.113 115.740 115.700 -0.122 0.000 2.370 191 S HA -0.245 4.230 4.470 0.009 0.000 0.226 191 S C 1.902 176.379 174.600 -0.205 0.000 1.033 191 S CA 1.878 59.998 58.200 -0.134 0.000 1.011 191 S CB -0.534 62.613 63.200 -0.088 0.000 0.852 191 S HN 0.668 nan 8.310 nan 0.000 0.457 192 N N 0.499 119.048 118.700 -0.252 0.000 2.381 192 N HA -0.017 4.728 4.740 0.009 0.000 0.182 192 N C 1.139 176.420 175.510 -0.381 0.000 1.025 192 N CA 0.768 53.644 53.050 -0.290 0.000 0.888 192 N CB -0.034 38.296 38.487 -0.263 0.000 0.965 192 N HN 0.405 nan 8.380 nan 0.000 0.438 193 K N 0.142 120.248 120.400 -0.489 0.000 2.393 193 K HA 0.070 4.396 4.320 0.009 0.000 0.193 193 K C 1.073 177.497 176.600 -0.294 0.000 1.026 193 K CA 0.472 56.476 56.287 -0.472 0.000 1.064 193 K CB 0.389 32.469 32.500 -0.700 0.000 0.833 193 K HN 0.232 nan 8.250 nan 0.000 0.521 194 T N -1.264 113.148 114.554 -0.236 0.000 3.296 194 T HA 0.163 4.519 4.350 0.009 0.000 0.285 194 T C -0.086 174.514 174.700 -0.167 0.000 1.014 194 T CA -0.395 61.669 62.100 -0.062 0.000 0.920 194 T CB 0.205 69.070 68.868 -0.006 0.000 1.143 194 T HN -0.050 nan 8.240 nan 0.000 0.522 195 E N 0.962 120.932 120.200 -0.384 0.000 2.494 195 E HA -0.276 4.080 4.350 0.009 0.000 0.249 195 E C 1.292 177.760 176.600 -0.220 0.000 1.184 195 E CA 1.242 57.426 56.400 -0.361 0.000 0.727 195 E CB -1.973 27.425 29.700 -0.503 0.000 1.281 195 E HN 1.230 nan 8.360 nan 0.000 0.405 196 G N -0.587 108.098 108.800 -0.191 0.000 2.179 196 G HA2 -0.443 3.523 3.960 0.009 0.000 0.260 196 G HA3 -0.443 3.523 3.960 0.009 0.000 0.260 196 G C 1.035 175.826 174.900 -0.182 0.000 0.977 196 G CA 0.820 45.828 45.100 -0.153 0.000 0.641 196 G HN 0.326 nan 8.290 nan 0.000 0.533 197 R N -0.032 120.306 120.500 -0.270 0.000 2.075 197 R HA 0.190 4.536 4.340 0.009 0.000 0.232 197 R C 1.465 177.630 176.300 -0.225 0.000 1.126 197 R CA 1.118 56.915 56.100 -0.505 0.000 0.963 197 R CB -0.070 29.728 30.300 -0.836 0.000 0.858 197 R HN 0.451 nan 8.270 nan 0.000 0.435 198 I N 1.055 121.558 120.570 -0.111 0.000 2.313 198 I HA 0.082 4.258 4.170 0.009 0.000 0.286 198 I C 1.146 177.242 176.117 -0.035 0.000 1.091 198 I CA 0.233 61.516 61.300 -0.029 0.000 1.216 198 I CB 0.589 38.584 38.000 -0.008 0.000 1.434 198 I HN 0.125 nan 8.210 nan 0.000 0.487 199 T N 1.971 116.514 114.554 -0.017 0.000 3.035 199 T HA -0.022 4.333 4.350 0.009 0.000 0.259 199 T C 0.826 175.515 174.700 -0.018 0.000 1.078 199 T CA 1.104 63.193 62.100 -0.019 0.000 1.132 199 T CB 0.035 68.899 68.868 -0.007 0.000 0.900 199 T HN 0.495 nan 8.240 nan 0.000 0.480 200 D N -0.071 120.321 120.400 -0.013 0.000 2.837 200 D HA 0.265 4.910 4.640 0.009 0.000 0.340 200 D C 1.522 177.789 176.300 -0.055 0.000 1.451 200 D CA 0.018 53.998 54.000 -0.033 0.000 0.798 200 D CB 0.455 41.240 40.800 -0.025 0.000 1.169 200 D HN 0.142 nan 8.370 nan 0.000 0.449 201 V N 0.115 120.005 119.914 -0.039 0.000 2.311 201 V HA -0.255 3.871 4.120 0.009 0.000 0.259 201 V C 1.237 177.266 176.094 -0.107 0.000 1.086 201 V CA 1.353 63.631 62.300 -0.037 0.000 1.078 201 V CB -0.872 30.953 31.823 0.003 0.000 0.668 201 V HN 0.395 nan 8.190 nan 0.000 0.452 202 I N 1.957 122.423 120.570 -0.173 0.000 2.330 202 I HA 0.351 4.527 4.170 0.009 0.000 0.289 202 I C -2.447 173.419 176.117 -0.419 0.000 1.001 202 I CA -2.188 58.883 61.300 -0.381 0.000 1.193 202 I CB 1.514 39.385 38.000 -0.216 0.000 1.345 202 I HN 0.088 nan 8.210 nan 0.000 0.461 203 P HA 0.007 nan 4.420 nan 0.000 0.267 203 P C 0.869 178.021 177.300 -0.246 0.000 1.200 203 P CA -0.095 62.779 63.100 -0.377 0.000 0.772 203 P CB 0.654 32.110 31.700 -0.407 0.000 0.855 204 S N 2.197 117.817 115.700 -0.132 0.000 2.414 204 S HA -0.312 4.164 4.470 0.009 0.000 0.238 204 S C 1.030 175.595 174.600 -0.058 0.000 1.055 204 S CA 1.967 60.120 58.200 -0.077 0.000 1.174 204 S CB -1.404 61.770 63.200 -0.043 0.000 1.087 204 S HN 0.553 nan 8.310 nan 0.000 0.428 205 E N 1.405 121.583 120.200 -0.037 0.000 2.368 205 E HA 0.560 4.915 4.350 0.009 0.000 0.188 205 E C 1.464 178.071 176.600 0.011 0.000 1.061 205 E CA 0.375 56.771 56.400 -0.006 0.000 0.933 205 E CB 0.014 29.723 29.700 0.013 0.000 1.091 205 E HN 0.673 nan 8.360 nan 0.000 0.458 206 A N 0.317 123.130 122.820 -0.012 0.000 2.119 206 A HA 0.109 4.434 4.320 0.009 0.000 0.216 206 A C 0.840 178.447 177.584 0.039 0.000 1.152 206 A CA 0.389 52.466 52.037 0.067 0.000 0.708 206 A CB 0.142 19.185 19.000 0.071 0.000 0.805 206 A HN 0.207 nan 8.150 nan 0.000 0.460 207 I N 1.290 121.848 120.570 -0.020 0.000 2.404 207 I HA 0.305 4.481 4.170 0.009 0.000 0.293 207 I C -0.666 175.431 176.117 -0.034 0.000 0.992 207 I CA -0.712 60.543 61.300 -0.075 0.000 1.149 207 I CB 1.774 39.710 38.000 -0.107 0.000 1.315 207 I HN 0.481 nan 8.210 nan 0.000 0.446 208 N N 3.309 121.980 118.700 -0.048 0.000 2.902 208 N HA 0.234 4.979 4.740 0.009 0.000 0.268 208 N C 0.123 175.649 175.510 0.027 0.000 1.450 208 N CA -0.813 52.242 53.050 0.009 0.000 0.819 208 N CB 0.505 39.004 38.487 0.020 0.000 1.540 208 N HN 0.292 nan 8.380 nan 0.000 0.545 209 E N -0.054 120.179 120.200 0.055 0.000 2.253 209 E HA -0.123 4.233 4.350 0.009 0.000 0.202 209 E C 1.108 177.747 176.600 0.066 0.000 1.014 209 E CA 1.487 57.930 56.400 0.073 0.000 0.823 209 E CB -0.423 29.311 29.700 0.056 0.000 0.736 209 E HN 0.557 nan 8.360 nan 0.000 0.478 210 L N 0.340 121.585 121.223 0.036 0.000 2.529 210 L HA 0.076 4.422 4.340 0.009 0.000 0.223 210 L C 0.332 177.190 176.870 -0.019 0.000 1.113 210 L CA 0.040 54.896 54.840 0.027 0.000 0.861 210 L CB -0.242 41.841 42.059 0.041 0.000 1.012 210 L HN -0.037 nan 8.230 nan 0.000 0.461 211 T N 0.409 114.908 114.554 -0.092 0.000 2.831 211 T HA 0.000 4.356 4.350 0.009 0.000 0.291 211 T C 1.265 175.868 174.700 -0.163 0.000 0.981 211 T CA -0.014 61.914 62.100 -0.286 0.000 1.174 211 T CB 1.884 70.315 68.868 -0.729 0.000 0.929 211 T HN -0.104 nan 8.240 nan 0.000 0.532 212 V N 3.623 123.479 119.914 -0.096 0.000 2.685 212 V HA 0.314 4.440 4.120 0.009 0.000 0.244 212 V C 0.323 176.590 176.094 0.288 0.000 1.054 212 V CA 0.592 62.961 62.300 0.115 0.000 1.076 212 V CB -0.000 31.848 31.823 0.043 0.000 0.725 212 V HN 0.678 nan 8.190 nan 0.000 0.467 213 L N -1.011 120.260 121.223 0.079 0.000 2.612 213 L HA 0.590 4.936 4.340 0.009 0.000 0.256 213 L C -1.626 175.251 176.870 0.012 0.000 0.949 213 L CA -0.250 54.689 54.840 0.165 0.000 0.867 213 L CB 2.276 44.431 42.059 0.160 0.000 1.417 213 L HN -0.203 nan 8.230 nan 0.000 0.414 214 V N 4.922 124.915 119.914 0.131 0.000 2.409 214 V HA 0.488 4.614 4.120 0.009 0.000 0.290 214 V C -0.555 175.617 176.094 0.130 0.000 1.017 214 V CA -0.422 61.937 62.300 0.097 0.000 0.841 214 V CB 1.461 33.363 31.823 0.131 0.000 1.003 214 V HN 0.574 nan 8.190 nan 0.000 0.426 215 L N 5.875 127.101 121.223 0.005 0.000 2.292 215 L HA 0.668 5.014 4.340 0.009 0.000 0.284 215 L C -0.213 176.648 176.870 -0.015 0.000 1.065 215 L CA -0.034 54.775 54.840 -0.051 0.000 0.806 215 L CB 1.530 43.496 42.059 -0.156 0.000 1.175 215 L HN 0.383 nan 8.230 nan 0.000 0.431 216 V N 2.372 122.300 119.914 0.023 0.000 2.709 216 V HA 0.525 4.650 4.120 0.009 0.000 0.308 216 V C -0.632 175.516 176.094 0.091 0.000 1.062 216 V CA -0.770 61.595 62.300 0.109 0.000 0.901 216 V CB 2.191 34.203 31.823 0.315 0.000 1.003 216 V HN 0.823 nan 8.190 nan 0.000 0.425 217 N N 1.710 120.463 118.700 0.087 0.000 2.292 217 N HA 0.846 5.592 4.740 0.009 0.000 0.303 217 N C -0.847 174.729 175.510 0.109 0.000 1.140 217 N CA -0.120 52.969 53.050 0.066 0.000 0.788 217 N CB 2.487 40.970 38.487 -0.006 0.000 1.361 217 N HN 0.908 nan 8.380 nan 0.000 0.489 218 T N -0.154 114.447 114.554 0.079 0.000 2.923 218 T HA 0.649 5.004 4.350 0.009 0.000 0.311 218 T C -0.762 173.955 174.700 0.028 0.000 1.183 218 T CA -0.735 61.395 62.100 0.049 0.000 1.020 218 T CB 0.502 69.359 68.868 -0.018 0.000 1.165 218 T HN 0.390 nan 8.240 nan 0.000 0.482 219 I N 1.944 122.572 120.570 0.097 0.000 2.656 219 I HA 0.523 4.698 4.170 0.009 0.000 0.292 219 I C -1.743 174.563 176.117 0.315 0.000 1.144 219 I CA -1.121 60.274 61.300 0.157 0.000 1.038 219 I CB 2.584 40.661 38.000 0.128 0.000 1.244 219 I HN 0.807 nan 8.210 nan 0.000 0.420 220 Y N 6.531 126.958 120.300 0.211 0.000 2.406 220 Y HA 0.663 5.219 4.550 0.010 0.000 0.340 220 Y C -1.821 174.268 175.900 0.315 0.000 0.975 220 Y CA -0.974 57.252 58.100 0.211 0.000 1.056 220 Y CB 1.864 40.346 38.460 0.037 0.000 1.210 220 Y HN 0.463 nan 8.280 nan 0.000 0.448 221 F N 6.037 125.646 119.950 -0.570 0.000 2.588 221 F HA 0.717 5.250 4.527 0.009 0.000 0.310 221 F C -1.846 173.619 175.800 -0.559 0.000 1.082 221 F CA -0.808 56.998 58.000 -0.324 0.000 0.929 221 F CB 1.764 40.730 39.000 -0.057 0.000 1.254 221 F HN 0.466 nan 8.300 nan 0.000 0.455 222 K N 3.701 123.184 120.400 -1.529 0.000 2.616 222 K HA 0.613 4.938 4.320 0.009 0.000 0.255 222 K C -1.397 174.394 176.600 -1.349 0.000 0.995 222 K CA -0.612 54.901 56.287 -1.290 0.000 0.860 222 K CB 1.626 33.850 32.500 -0.459 0.000 1.264 222 K HN 1.008 nan 8.250 nan 0.000 0.451 223 G N 3.193 111.159 108.800 -1.391 0.000 2.574 223 G HA2 0.631 4.597 3.960 0.009 0.000 0.299 223 G HA3 0.631 4.597 3.960 0.009 0.000 0.299 223 G C -1.367 173.357 174.900 -0.293 0.000 1.298 223 G CA -0.793 43.845 45.100 -0.771 0.000 0.952 223 G HN 0.410 nan 8.290 nan 0.000 0.477 224 L N 0.336 121.552 121.223 -0.012 0.000 2.317 224 L HA 0.413 4.759 4.340 0.009 0.000 0.281 224 L C -0.338 176.679 176.870 0.244 0.000 1.024 224 L CA -0.840 54.026 54.840 0.044 0.000 0.810 224 L CB 1.741 43.839 42.059 0.064 0.000 1.240 224 L HN 0.597 nan 8.230 nan 0.000 0.427 225 W N 2.791 124.266 121.300 0.292 0.000 2.257 225 W HA 0.004 4.672 4.660 0.013 0.000 0.337 225 W C 1.503 178.084 176.519 0.103 0.000 1.321 225 W CA -0.231 57.210 57.345 0.160 0.000 1.267 225 W CB 0.585 30.113 29.460 0.114 0.000 1.187 225 W HN 0.589 nan 8.180 nan 0.000 0.565 226 K N 1.101 121.702 120.400 0.336 0.000 2.283 226 K HA -0.081 4.244 4.320 0.009 0.000 0.202 226 K C -0.031 176.621 176.600 0.087 0.000 1.048 226 K CA 1.062 57.452 56.287 0.173 0.000 0.948 226 K CB 0.052 32.622 32.500 0.118 0.000 0.742 226 K HN 0.344 nan 8.250 nan 0.000 0.458 227 S N 1.360 117.113 115.700 0.087 0.000 2.389 227 S HA 0.296 4.771 4.470 0.009 0.000 0.201 227 S C -1.124 173.435 174.600 -0.069 0.000 1.422 227 S CA -1.008 57.162 58.200 -0.050 0.000 1.216 227 S CB 1.433 64.502 63.200 -0.219 0.000 1.130 227 S HN 0.131 nan 8.310 nan 0.000 0.465 228 K N 1.130 121.563 120.400 0.056 0.000 2.187 228 K HA 0.369 4.695 4.320 0.009 0.000 0.247 228 K C -0.801 175.728 176.600 -0.118 0.000 1.019 228 K CA 0.104 56.470 56.287 0.132 0.000 0.893 228 K CB 0.349 32.996 32.500 0.247 0.000 1.025 228 K HN 0.395 nan 8.250 nan 0.000 0.500 229 F N -0.048 119.966 119.950 0.106 0.000 2.450 229 F HA 0.219 4.751 4.527 0.008 0.000 0.332 229 F C 0.470 176.318 175.800 0.079 0.000 1.093 229 F CA -0.590 57.435 58.000 0.042 0.000 1.003 229 F CB 1.904 40.910 39.000 0.010 0.000 1.151 229 F HN 0.264 nan 8.300 nan 0.000 0.474 230 S N 3.737 119.578 115.700 0.235 0.000 2.525 230 S HA 0.240 4.715 4.470 0.009 0.000 0.278 230 S C -1.826 172.875 174.600 0.168 0.000 1.234 230 S CA -1.022 57.276 58.200 0.164 0.000 1.058 230 S CB 1.549 64.817 63.200 0.114 0.000 0.983 230 S HN 0.371 nan 8.310 nan 0.000 0.495 231 P HA -0.095 nan 4.420 nan 0.000 0.221 231 P C 1.435 178.780 177.300 0.076 0.000 1.150 231 P CA 0.539 63.700 63.100 0.100 0.000 0.800 231 P CB 0.146 31.896 31.700 0.083 0.000 0.787 232 E N 0.132 120.373 120.200 0.068 0.000 2.085 232 E HA -0.211 4.145 4.350 0.009 0.000 0.194 232 E C 1.196 177.820 176.600 0.040 0.000 0.994 232 E CA 1.278 57.705 56.400 0.046 0.000 0.801 232 E CB -1.616 28.106 29.700 0.038 0.000 0.743 232 E HN 0.341 nan 8.360 nan 0.000 0.453 233 N N 1.053 119.793 118.700 0.066 0.000 2.520 233 N HA -0.037 4.708 4.740 0.009 0.000 0.185 233 N C 0.056 175.608 175.510 0.070 0.000 1.068 233 N CA 0.638 53.726 53.050 0.063 0.000 0.911 233 N CB -0.083 38.502 38.487 0.165 0.000 0.961 233 N HN 0.125 nan 8.380 nan 0.000 0.446 234 T N 2.101 116.699 114.554 0.073 0.000 2.761 234 T HA 0.334 4.690 4.350 0.009 0.000 0.296 234 T C 0.342 175.066 174.700 0.039 0.000 0.934 234 T CA -0.153 61.981 62.100 0.058 0.000 1.091 234 T CB 0.948 69.845 68.868 0.049 0.000 0.896 234 T HN -0.043 nan 8.240 nan 0.000 0.515 235 R N 2.162 122.686 120.500 0.039 0.000 2.744 235 R HA 0.563 4.909 4.340 0.009 0.000 0.279 235 R C -0.441 175.886 176.300 0.044 0.000 0.977 235 R CA -1.020 55.100 56.100 0.032 0.000 0.906 235 R CB 0.930 31.241 30.300 0.019 0.000 1.197 235 R HN 0.338 nan 8.270 nan 0.000 0.463 236 K N 1.187 121.611 120.400 0.040 0.000 2.286 236 K HA 0.190 4.515 4.320 0.009 0.000 0.256 236 K C -0.580 176.054 176.600 0.058 0.000 0.999 236 K CA 0.263 56.579 56.287 0.049 0.000 0.908 236 K CB 0.365 32.892 32.500 0.044 0.000 0.981 236 K HN 0.649 nan 8.250 nan 0.000 0.500 237 E N 1.985 122.230 120.200 0.074 0.000 2.506 237 E HA 0.144 4.500 4.350 0.009 0.000 0.308 237 E C -1.487 175.181 176.600 0.113 0.000 0.931 237 E CA -0.620 55.829 56.400 0.082 0.000 0.800 237 E CB 0.514 30.267 29.700 0.089 0.000 1.292 237 E HN 0.211 nan 8.360 nan 0.000 0.401 238 L N 4.193 125.474 121.223 0.096 0.000 2.540 238 L HA 0.207 4.552 4.340 0.009 0.000 0.276 238 L C -0.478 176.492 176.870 0.167 0.000 1.212 238 L CA 0.940 55.854 54.840 0.122 0.000 0.893 238 L CB 0.022 42.132 42.059 0.085 0.000 1.138 238 L HN 0.528 nan 8.230 nan 0.000 0.491 239 F N 4.536 124.525 119.950 0.066 0.000 2.403 239 F HA 0.273 4.806 4.527 0.009 0.000 0.355 239 F C -0.648 175.217 175.800 0.108 0.000 1.119 239 F CA -0.929 57.113 58.000 0.070 0.000 1.007 239 F CB 0.648 39.666 39.000 0.030 0.000 1.194 239 F HN 0.389 nan 8.300 nan 0.000 0.443 240 Y N 7.133 127.161 120.300 -0.453 0.000 2.531 240 Y HA 0.285 4.841 4.550 0.009 0.000 0.347 240 Y C -0.063 175.671 175.900 -0.278 0.000 1.024 240 Y CA -0.422 57.513 58.100 -0.275 0.000 1.306 240 Y CB 0.229 38.538 38.460 -0.251 0.000 1.149 240 Y HN 0.498 nan 8.280 nan 0.000 0.527 241 K N 5.473 125.681 120.400 -0.320 0.000 2.350 241 K HA 0.276 4.602 4.320 0.009 0.000 0.279 241 K C 1.165 177.458 176.600 -0.512 0.000 1.027 241 K CA 0.321 56.494 56.287 -0.189 0.000 0.969 241 K CB 0.987 33.488 32.500 0.003 0.000 0.954 241 K HN 0.905 nan 8.250 nan 0.000 0.474 242 A N 3.741 126.411 122.820 -0.250 0.000 1.870 242 A HA -0.218 4.108 4.320 0.009 0.000 0.219 242 A C 0.526 177.968 177.584 -0.236 0.000 1.286 242 A CA 1.591 53.513 52.037 -0.191 0.000 0.682 242 A CB -0.319 18.645 19.000 -0.061 0.000 0.844 242 A HN 0.754 nan 8.150 nan 0.000 0.460 243 D N -0.454 119.862 120.400 -0.139 0.000 2.313 243 D HA 0.465 5.111 4.640 0.009 0.000 0.239 243 D C 0.690 176.916 176.300 -0.123 0.000 1.142 243 D CA 1.437 55.381 54.000 -0.095 0.000 0.847 243 D CB 0.918 41.703 40.800 -0.026 0.000 1.082 243 D HN 0.798 nan 8.370 nan 0.000 0.480 244 G N 2.911 111.633 108.800 -0.129 0.000 2.445 244 G HA2 -0.175 3.790 3.960 0.009 0.000 0.212 244 G HA3 -0.175 3.790 3.960 0.009 0.000 0.212 244 G C 0.121 174.935 174.900 -0.144 0.000 1.217 244 G CA -0.194 44.852 45.100 -0.089 0.000 1.002 244 G HN 0.505 nan 8.290 nan 0.000 0.574 245 E N 0.229 120.393 120.200 -0.059 0.000 3.466 245 E HA 0.756 5.112 4.350 0.009 0.000 0.265 245 E C 0.142 176.739 176.600 -0.005 0.000 1.291 245 E CA 0.201 56.608 56.400 0.011 0.000 1.226 245 E CB 0.601 30.337 29.700 0.060 0.000 1.404 245 E HN 0.777 nan 8.360 nan 0.000 0.697 246 S N -1.149 114.614 115.700 0.104 0.000 2.689 246 S HA 0.658 5.133 4.470 0.009 0.000 0.306 246 S C -0.373 174.320 174.600 0.155 0.000 1.104 246 S CA -0.491 57.800 58.200 0.151 0.000 0.973 246 S CB 1.080 64.393 63.200 0.189 0.000 1.121 246 S HN 0.792 nan 8.310 nan 0.000 0.523 247 c N -0.385 118.338 118.600 0.204 0.000 2.898 247 c HA 0.853 5.429 4.570 0.009 0.000 0.304 247 c C 0.572 174.761 174.090 0.165 0.000 1.237 247 c CA -1.105 55.320 56.329 0.160 0.000 1.529 247 c CB 0.730 43.333 42.510 0.155 0.000 2.021 247 c HN 0.774 nan 8.230 nan 0.000 0.474 248 S N 0.666 116.435 115.700 0.114 0.000 2.580 248 S HA 0.551 5.027 4.470 0.009 0.000 0.261 248 S C 0.018 174.674 174.600 0.094 0.000 1.366 248 S CA 0.591 58.851 58.200 0.101 0.000 0.996 248 S CB 0.293 63.536 63.200 0.071 0.000 0.902 248 S HN 2.418 nan 8.310 nan 0.000 0.566 249 A N 1.919 124.791 122.820 0.087 0.000 2.547 249 A HA 0.546 4.872 4.320 0.009 0.000 0.298 249 A C -0.665 176.958 177.584 0.065 0.000 1.062 249 A CA -0.682 51.394 52.037 0.065 0.000 0.748 249 A CB 1.128 20.178 19.000 0.085 0.000 1.288 249 A HN 0.694 nan 8.150 nan 0.000 0.396 250 S N 3.254 118.985 115.700 0.052 0.000 2.439 250 S HA 0.538 5.013 4.470 0.009 0.000 0.282 250 S C 0.028 174.656 174.600 0.047 0.000 1.170 250 S CA -0.305 57.923 58.200 0.048 0.000 1.054 250 S CB 0.202 63.425 63.200 0.039 0.000 0.956 250 S HN 0.577 nan 8.310 nan 0.000 0.490 251 M N 3.846 123.478 119.600 0.052 0.000 2.268 251 M HA 0.460 4.946 4.480 0.009 0.000 0.344 251 M C -0.305 176.012 176.300 0.028 0.000 1.106 251 M CA -0.153 55.180 55.300 0.054 0.000 1.010 251 M CB 1.096 33.760 32.600 0.107 0.000 1.649 251 M HN 0.486 nan 8.290 nan 0.000 0.443 252 M N 2.309 121.875 119.600 -0.056 0.000 2.478 252 M HA 0.453 4.939 4.480 0.009 0.000 0.327 252 M C -1.194 175.126 176.300 0.034 0.000 1.187 252 M CA -0.660 54.578 55.300 -0.102 0.000 1.022 252 M CB 1.785 34.060 32.600 -0.541 0.000 1.629 252 M HN 0.563 nan 8.290 nan 0.000 0.461 253 Y N 1.501 121.813 120.300 0.020 0.000 2.477 253 Y HA 0.520 5.075 4.550 0.008 0.000 0.347 253 Y C -0.946 175.010 175.900 0.093 0.000 0.981 253 Y CA -0.418 57.648 58.100 -0.057 0.000 1.033 253 Y CB 1.792 40.153 38.460 -0.165 0.000 1.245 253 Y HN 0.737 nan 8.280 nan 0.000 0.455 254 Q N 4.134 123.659 119.800 -0.458 0.000 2.472 254 Q HA 0.381 4.726 4.340 0.009 0.000 0.281 254 Q C -2.196 173.474 176.000 -0.550 0.000 0.997 254 Q CA -0.844 54.742 55.803 -0.360 0.000 0.828 254 Q CB 2.282 30.728 28.738 -0.487 0.000 1.443 254 Q HN 0.796 nan 8.270 nan 0.000 0.390 255 E N 1.236 121.273 120.200 -0.272 0.000 2.248 255 E HA 0.779 5.134 4.350 0.009 0.000 0.267 255 E C -1.118 175.474 176.600 -0.012 0.000 0.877 255 E CA -0.554 55.739 56.400 -0.177 0.000 0.759 255 E CB 1.884 31.527 29.700 -0.095 0.000 1.182 255 E HN 0.874 nan 8.360 nan 0.000 0.418 256 G N 2.673 111.531 108.800 0.098 0.000 2.322 256 G HA2 0.126 4.092 3.960 0.009 0.000 0.295 256 G HA3 0.126 4.092 3.960 0.009 0.000 0.295 256 G C -1.500 173.443 174.900 0.071 0.000 1.369 256 G CA -0.993 44.145 45.100 0.063 0.000 0.821 256 G HN 0.395 nan 8.290 nan 0.000 0.536 257 K N -0.197 120.076 120.400 -0.211 0.000 2.276 257 K HA 0.612 4.938 4.320 0.009 0.000 0.283 257 K C -1.348 174.960 176.600 -0.487 0.000 1.044 257 K CA 0.162 56.335 56.287 -0.190 0.000 0.944 257 K CB 0.734 33.129 32.500 -0.177 0.000 1.012 257 K HN 0.279 nan 8.250 nan 0.000 0.472 258 F N 0.578 120.491 119.950 -0.061 0.000 2.628 258 F HA 0.320 4.851 4.527 0.006 0.000 0.309 258 F C 0.053 175.866 175.800 0.021 0.000 1.108 258 F CA -1.057 56.918 58.000 -0.042 0.000 0.971 258 F CB 1.481 40.434 39.000 -0.078 0.000 1.279 258 F HN 0.189 nan 8.300 nan 0.000 0.441 259 R N 1.948 122.571 120.500 0.205 0.000 2.401 259 R HA 0.321 4.666 4.340 0.009 0.000 0.299 259 R C -1.345 175.085 176.300 0.217 0.000 1.064 259 R CA -0.074 56.121 56.100 0.158 0.000 1.000 259 R CB 0.569 30.931 30.300 0.103 0.000 0.973 259 R HN 0.689 nan 8.270 nan 0.000 0.438 260 Y N 1.579 121.904 120.300 0.041 0.000 2.644 260 Y HA 0.592 5.140 4.550 -0.003 0.000 0.338 260 Y C -1.436 174.459 175.900 -0.008 0.000 1.119 260 Y CA -1.373 56.731 58.100 0.006 0.000 1.060 260 Y CB 1.918 40.377 38.460 -0.003 0.000 1.294 260 Y HN 0.492 nan 8.280 nan 0.000 0.472 261 R N 2.662 122.325 120.500 -1.396 0.000 3.170 261 R HA 0.296 4.641 4.340 0.009 0.000 0.257 261 R C -2.275 173.426 176.300 -0.999 0.000 1.139 261 R CA -0.606 54.914 56.100 -0.967 0.000 1.158 261 R CB 0.917 30.985 30.300 -0.386 0.000 1.269 261 R HN 0.858 nan 8.270 nan 0.000 0.459 262 R N 4.041 124.162 120.500 -0.632 0.000 2.202 262 R HA 0.555 4.900 4.340 0.009 0.000 0.334 262 R C 0.070 176.257 176.300 -0.187 0.000 1.036 262 R CA -0.378 55.548 56.100 -0.291 0.000 0.878 262 R CB 0.661 30.940 30.300 -0.035 0.000 1.067 262 R HN 0.511 nan 8.270 nan 0.000 0.457 263 V N 1.653 121.461 119.914 -0.177 0.000 3.485 263 V HA 0.773 4.898 4.120 0.009 0.000 0.293 263 V C 0.256 176.336 176.094 -0.022 0.000 1.253 263 V CA -0.710 61.543 62.300 -0.077 0.000 0.991 263 V CB 0.663 32.459 31.823 -0.045 0.000 1.252 263 V HN 0.870 nan 8.190 nan 0.000 0.473 264 A N -0.525 122.320 122.820 0.041 0.000 2.587 264 A HA 0.249 4.574 4.320 0.009 0.000 0.233 264 A C 0.827 178.430 177.584 0.031 0.000 1.049 264 A CA 1.041 53.107 52.037 0.048 0.000 0.754 264 A CB -1.171 17.880 19.000 0.084 0.000 0.977 264 A HN 1.352 nan 8.150 nan 0.000 0.509 265 E N -0.070 120.144 120.200 0.023 0.000 3.065 265 E HA -0.276 4.080 4.350 0.009 0.000 0.277 265 E C 0.932 177.532 176.600 0.000 0.000 1.008 265 E CA 1.344 57.753 56.400 0.016 0.000 0.864 265 E CB -1.850 27.867 29.700 0.028 0.000 1.439 265 E HN 2.366 nan 8.360 nan 0.000 0.445 266 G N -0.286 108.508 108.800 -0.011 0.000 2.147 266 G HA2 -0.332 3.634 3.960 0.009 0.000 0.244 266 G HA3 -0.332 3.634 3.960 0.009 0.000 0.244 266 G C 0.216 175.089 174.900 -0.044 0.000 1.005 266 G CA 0.497 45.584 45.100 -0.021 0.000 0.713 266 G HN 0.245 nan 8.290 nan 0.000 0.515 267 T N 1.175 115.683 114.554 -0.077 0.000 2.832 267 T HA 0.478 4.833 4.350 0.009 0.000 0.296 267 T C 0.458 175.031 174.700 -0.212 0.000 0.968 267 T CA 0.126 62.143 62.100 -0.139 0.000 1.107 267 T CB 1.204 69.960 68.868 -0.187 0.000 0.916 267 T HN 0.428 nan 8.240 nan 0.000 0.517 268 Q N 1.742 121.434 119.800 -0.181 0.000 2.241 268 Q HA 0.569 4.915 4.340 0.009 0.000 0.254 268 Q C -0.922 174.908 176.000 -0.284 0.000 0.917 268 Q CA -0.771 54.920 55.803 -0.187 0.000 0.919 268 Q CB 1.775 30.547 28.738 0.058 0.000 1.237 268 Q HN 0.374 nan 8.270 nan 0.000 0.434 269 V N 3.730 123.410 119.914 -0.390 0.000 2.409 269 V HA 0.425 4.551 4.120 0.009 0.000 0.291 269 V C -0.990 175.016 176.094 -0.146 0.000 1.020 269 V CA -0.759 61.353 62.300 -0.312 0.000 0.848 269 V CB 1.470 33.057 31.823 -0.393 0.000 0.990 269 V HN 0.540 nan 8.190 nan 0.000 0.430 270 L N 4.167 125.383 121.223 -0.011 0.000 2.381 270 L HA 0.626 4.971 4.340 0.009 0.000 0.274 270 L C -0.422 176.491 176.870 0.072 0.000 0.988 270 L CA 0.006 54.895 54.840 0.081 0.000 0.824 270 L CB 1.841 43.929 42.059 0.049 0.000 1.263 270 L HN 0.729 nan 8.230 nan 0.000 0.410 271 E N 5.121 125.389 120.200 0.113 0.000 2.156 271 E HA 0.418 4.773 4.350 0.009 0.000 0.279 271 E C -1.442 175.258 176.600 0.168 0.000 0.965 271 E CA -0.545 55.936 56.400 0.135 0.000 0.789 271 E CB 1.041 30.822 29.700 0.135 0.000 1.098 271 E HN 0.669 nan 8.360 nan 0.000 0.397 272 L N 7.566 128.869 121.223 0.132 0.000 2.337 272 L HA 0.394 4.739 4.340 0.009 0.000 0.269 272 L C -2.146 174.783 176.870 0.099 0.000 1.018 272 L CA -2.006 52.898 54.840 0.106 0.000 0.876 272 L CB 1.214 43.210 42.059 -0.106 0.000 1.236 272 L HN 0.330 nan 8.230 nan 0.000 0.436 273 P HA 0.187 nan 4.420 nan 0.000 0.275 273 P C -0.895 176.493 177.300 0.146 0.000 1.228 273 P CA -0.111 63.072 63.100 0.139 0.000 0.786 273 P CB 0.942 32.721 31.700 0.133 0.000 0.927 274 F N 0.827 120.968 119.950 0.319 0.000 2.408 274 F HA 0.344 4.878 4.527 0.012 0.000 0.325 274 F C 1.499 177.413 175.800 0.190 0.000 1.082 274 F CA -0.722 57.441 58.000 0.272 0.000 1.032 274 F CB 0.702 39.854 39.000 0.255 0.000 1.259 274 F HN 0.105 nan 8.300 nan 0.000 0.503 275 K N 1.113 121.728 120.400 0.357 0.000 2.473 275 K HA 0.229 4.554 4.320 0.009 0.000 0.277 275 K C 0.789 177.505 176.600 0.192 0.000 1.052 275 K CA 1.212 57.629 56.287 0.215 0.000 1.114 275 K CB -0.404 32.191 32.500 0.158 0.000 0.869 275 K HN 0.939 nan 8.250 nan 0.000 0.481 276 G N 3.025 111.916 108.800 0.152 0.000 2.307 276 G HA2 -0.259 3.706 3.960 0.009 0.000 0.210 276 G HA3 -0.259 3.706 3.960 0.009 0.000 0.210 276 G C 0.265 175.245 174.900 0.133 0.000 1.005 276 G CA 0.122 45.299 45.100 0.130 0.000 0.634 276 G HN 0.793 nan 8.290 nan 0.000 0.496 277 D N 0.263 120.765 120.400 0.170 0.000 2.837 277 D HA -0.189 4.457 4.640 0.009 0.000 0.195 277 D C 1.239 177.636 176.300 0.161 0.000 1.033 277 D CA 2.125 56.219 54.000 0.157 0.000 1.021 277 D CB -1.110 39.752 40.800 0.103 0.000 1.101 277 D HN 0.679 nan 8.370 nan 0.000 0.431 278 D N 0.477 120.974 120.400 0.162 0.000 2.224 278 D HA -0.051 4.594 4.640 0.009 0.000 0.205 278 D C 0.801 177.204 176.300 0.171 0.000 0.965 278 D CA 0.729 54.814 54.000 0.142 0.000 0.852 278 D CB 0.134 41.004 40.800 0.115 0.000 0.947 278 D HN 0.382 nan 8.370 nan 0.000 0.494 279 I N 0.666 121.384 120.570 0.247 0.000 2.436 279 I HA 0.286 4.462 4.170 0.009 0.000 0.289 279 I C -0.281 176.151 176.117 0.525 0.000 1.010 279 I CA -0.610 60.864 61.300 0.289 0.000 1.098 279 I CB 2.202 40.324 38.000 0.204 0.000 1.266 279 I HN -0.087 nan 8.210 nan 0.000 0.434 280 T N 3.417 118.236 114.554 0.442 0.000 2.906 280 T HA 0.653 5.009 4.350 0.009 0.000 0.295 280 T C -0.687 174.287 174.700 0.457 0.000 1.075 280 T CA -0.881 61.478 62.100 0.432 0.000 1.005 280 T CB 2.201 71.223 68.868 0.256 0.000 1.136 280 T HN 0.560 nan 8.240 nan 0.000 0.498 281 M N 2.784 122.601 119.600 0.362 0.000 2.205 281 M HA 0.649 5.135 4.480 0.009 0.000 0.344 281 M C -1.808 174.685 176.300 0.322 0.000 1.085 281 M CA -0.768 54.788 55.300 0.427 0.000 1.001 281 M CB 1.287 34.184 32.600 0.495 0.000 1.626 281 M HN 0.583 nan 8.290 nan 0.000 0.442 282 V N 6.506 126.641 119.914 0.368 0.000 2.459 282 V HA 0.474 4.600 4.120 0.009 0.000 0.295 282 V C -0.387 175.922 176.094 0.357 0.000 1.029 282 V CA -0.694 61.787 62.300 0.302 0.000 0.874 282 V CB 1.665 33.635 31.823 0.244 0.000 0.985 282 V HN 0.813 nan 8.190 nan 0.000 0.438 283 L N 5.972 127.326 121.223 0.219 0.000 2.307 283 L HA 0.634 4.979 4.340 0.009 0.000 0.284 283 L C -0.646 176.292 176.870 0.113 0.000 1.023 283 L CA -0.402 54.554 54.840 0.193 0.000 0.810 283 L CB 1.741 43.812 42.059 0.020 0.000 1.231 283 L HN 0.464 nan 8.230 nan 0.000 0.423 284 I N 5.095 125.761 120.570 0.161 0.000 2.410 284 I HA 0.396 4.572 4.170 0.009 0.000 0.286 284 I C -0.691 175.449 176.117 0.038 0.000 1.009 284 I CA -0.484 60.817 61.300 0.002 0.000 1.111 284 I CB 1.579 39.581 38.000 0.003 0.000 1.262 284 I HN 0.404 nan 8.210 nan 0.000 0.443 285 L N 7.163 128.358 121.223 -0.046 0.000 2.381 285 L HA 0.680 5.026 4.340 0.009 0.000 0.274 285 L C -2.627 174.221 176.870 -0.036 0.000 0.988 285 L CA -1.996 52.845 54.840 0.003 0.000 0.824 285 L CB 1.642 43.687 42.059 -0.024 0.000 1.263 285 L HN 0.254 nan 8.230 nan 0.000 0.410 286 P HA 0.093 nan 4.420 nan 0.000 0.273 286 P C -0.936 176.357 177.300 -0.011 0.000 1.250 286 P CA -0.478 62.617 63.100 -0.008 0.000 0.793 286 P CB 0.862 32.575 31.700 0.022 0.000 1.011 287 K N 0.766 121.158 120.400 -0.012 0.000 2.219 287 K HA 0.319 4.644 4.320 0.009 0.000 0.258 287 K C -2.397 174.198 176.600 -0.009 0.000 1.008 287 K CA -1.686 54.593 56.287 -0.013 0.000 0.928 287 K CB -0.951 31.542 32.500 -0.011 0.000 0.983 287 K HN 0.218 nan 8.250 nan 0.000 0.484 288 P HA -0.032 nan 4.420 nan 0.000 0.264 288 P C -1.093 176.198 177.300 -0.014 0.000 1.183 288 P CA 0.594 63.683 63.100 -0.019 0.000 0.763 288 P CB 0.283 31.964 31.700 -0.030 0.000 0.807 289 E N -0.268 119.925 120.200 -0.011 0.000 2.416 289 E HA -0.212 4.143 4.350 0.009 0.000 0.249 289 E C -0.145 176.454 176.600 -0.002 0.000 1.124 289 E CA 1.167 57.562 56.400 -0.009 0.000 0.732 289 E CB -1.126 28.565 29.700 -0.015 0.000 1.286 289 E HN 0.234 nan 8.360 nan 0.000 0.394 290 K N 0.046 120.448 120.400 0.003 0.000 2.468 290 K HA 0.451 4.776 4.320 0.009 0.000 0.252 290 K C -0.706 175.903 176.600 0.016 0.000 0.932 290 K CA -0.642 55.650 56.287 0.009 0.000 0.794 290 K CB 2.068 34.572 32.500 0.008 0.000 1.241 290 K HN 0.035 nan 8.250 nan 0.000 0.428 291 S N 2.753 118.464 115.700 0.018 0.000 2.548 291 S HA 0.109 4.584 4.470 0.009 0.000 0.277 291 S C 1.224 175.845 174.600 0.034 0.000 1.315 291 S CA -0.485 57.728 58.200 0.022 0.000 1.050 291 S CB 0.476 63.686 63.200 0.016 0.000 0.918 291 S HN 0.543 nan 8.310 nan 0.000 0.497 292 L N 6.031 127.279 121.223 0.040 0.000 2.141 292 L HA 0.165 4.511 4.340 0.009 0.000 0.209 292 L C 2.475 179.387 176.870 0.069 0.000 1.094 292 L CA 2.206 57.083 54.840 0.061 0.000 0.763 292 L CB -1.385 40.712 42.059 0.062 0.000 0.908 292 L HN 0.896 nan 8.230 nan 0.000 0.437 293 A N -0.463 122.384 122.820 0.044 0.000 1.997 293 A HA -0.292 4.034 4.320 0.009 0.000 0.221 293 A C 2.292 179.902 177.584 0.042 0.000 1.172 293 A CA 2.167 54.224 52.037 0.033 0.000 0.645 293 A CB -0.511 18.492 19.000 0.005 0.000 0.813 293 A HN 0.547 nan 8.150 nan 0.000 0.454 294 K N -0.648 119.780 120.400 0.046 0.000 2.097 294 K HA -0.021 4.304 4.320 0.009 0.000 0.205 294 K C 1.813 178.462 176.600 0.082 0.000 1.050 294 K CA 1.295 57.611 56.287 0.049 0.000 0.938 294 K CB -0.315 32.211 32.500 0.044 0.000 0.718 294 K HN 0.336 nan 8.250 nan 0.000 0.442 295 V N 2.014 121.999 119.914 0.118 0.000 2.358 295 V HA -0.212 3.913 4.120 0.009 0.000 0.246 295 V C 1.980 178.193 176.094 0.198 0.000 1.047 295 V CA 1.725 64.142 62.300 0.195 0.000 1.035 295 V CB -0.468 31.486 31.823 0.219 0.000 0.658 295 V HN 0.311 nan 8.190 nan 0.000 0.452 296 E N 0.274 120.577 120.200 0.171 0.000 2.077 296 E HA -0.226 4.130 4.350 0.009 0.000 0.193 296 E C 2.170 178.840 176.600 0.116 0.000 0.989 296 E CA 1.136 57.651 56.400 0.192 0.000 0.800 296 E CB -0.189 29.644 29.700 0.222 0.000 0.746 296 E HN 0.557 nan 8.360 nan 0.000 0.452 297 K N 0.567 121.004 120.400 0.060 0.000 2.442 297 K HA -0.096 4.230 4.320 0.009 0.000 0.198 297 K C 1.203 177.805 176.600 0.004 0.000 1.042 297 K CA 0.757 57.049 56.287 0.008 0.000 0.958 297 K CB 0.129 32.622 32.500 -0.012 0.000 0.766 297 K HN 0.183 nan 8.250 nan 0.000 0.474 298 E N 0.417 120.634 120.200 0.028 0.000 2.526 298 E HA 0.033 4.388 4.350 0.009 0.000 0.208 298 E C -0.387 176.189 176.600 -0.040 0.000 0.997 298 E CA -0.315 56.080 56.400 -0.007 0.000 0.961 298 E CB 0.391 30.096 29.700 0.008 0.000 1.030 298 E HN 0.021 nan 8.360 nan 0.000 0.483 299 L N 1.576 122.806 121.223 0.011 0.000 2.499 299 L HA 0.116 4.461 4.340 0.009 0.000 0.273 299 L C -0.211 176.624 176.870 -0.059 0.000 1.195 299 L CA 1.261 56.096 54.840 -0.009 0.000 0.882 299 L CB 0.846 42.968 42.059 0.106 0.000 1.133 299 L HN -0.168 nan 8.230 nan 0.000 0.483 300 T N 5.004 119.479 114.554 -0.132 0.000 2.830 300 T HA 0.347 4.703 4.350 0.009 0.000 0.322 300 T C -2.353 172.256 174.700 -0.152 0.000 1.501 300 T CA -0.559 61.469 62.100 -0.120 0.000 1.036 300 T CB 1.824 70.613 68.868 -0.131 0.000 1.379 300 T HN 0.351 nan 8.240 nan 0.000 0.493 301 P HA -0.128 nan 4.420 nan 0.000 0.216 301 P C 1.352 178.561 177.300 -0.152 0.000 1.153 301 P CA 1.069 64.097 63.100 -0.120 0.000 0.858 301 P CB 0.253 31.894 31.700 -0.099 0.000 0.789 302 E N -0.484 119.625 120.200 -0.151 0.000 2.072 302 E HA -0.081 4.275 4.350 0.009 0.000 0.190 302 E C 2.138 178.593 176.600 -0.241 0.000 0.982 302 E CA 0.959 57.268 56.400 -0.152 0.000 0.803 302 E CB -1.628 28.003 29.700 -0.115 0.000 0.755 302 E HN 0.085 nan 8.360 nan 0.000 0.453 303 V N 1.913 121.628 119.914 -0.332 0.000 2.282 303 V HA -0.271 3.854 4.120 0.009 0.000 0.249 303 V C 2.573 178.185 176.094 -0.803 0.000 1.057 303 V CA 1.939 63.890 62.300 -0.582 0.000 1.032 303 V CB -0.682 30.751 31.823 -0.650 0.000 0.645 303 V HN 0.152 nan 8.190 nan 0.000 0.447 304 L N -0.116 120.758 121.223 -0.583 0.000 2.017 304 L HA -0.192 4.154 4.340 0.009 0.000 0.208 304 L C 2.460 179.216 176.870 -0.190 0.000 1.073 304 L CA 2.226 56.835 54.840 -0.385 0.000 0.745 304 L CB -0.817 41.064 42.059 -0.297 0.000 0.894 304 L HN 0.350 nan 8.230 nan 0.000 0.432 305 Q N 0.098 119.798 119.800 -0.167 0.000 2.096 305 Q HA -0.274 4.072 4.340 0.009 0.000 0.204 305 Q C 2.191 178.158 176.000 -0.055 0.000 0.982 305 Q CA 2.199 57.958 55.803 -0.074 0.000 0.850 305 Q CB -0.327 28.382 28.738 -0.050 0.000 0.901 305 Q HN 0.695 nan 8.270 nan 0.000 0.422 306 E N -1.292 118.832 120.200 -0.127 0.000 2.038 306 E HA -0.206 4.150 4.350 0.009 0.000 0.195 306 E C 1.486 178.112 176.600 0.042 0.000 1.000 306 E CA 1.463 57.811 56.400 -0.086 0.000 0.803 306 E CB -0.270 29.321 29.700 -0.181 0.000 0.750 306 E HN 0.472 nan 8.360 nan 0.000 0.448 307 W N 0.904 122.168 121.300 -0.060 0.000 2.335 307 W HA -0.160 4.506 4.660 0.011 0.000 0.311 307 W C 2.284 178.762 176.519 -0.068 0.000 1.213 307 W CA 0.675 57.977 57.345 -0.071 0.000 1.274 307 W CB -1.128 28.281 29.460 -0.085 0.000 1.148 307 W HN 0.225 nan 8.180 nan 0.000 0.498 308 L N -0.119 121.214 121.223 0.184 0.000 2.079 308 L HA -0.224 4.122 4.340 0.009 0.000 0.210 308 L C 1.923 178.833 176.870 0.066 0.000 1.081 308 L CA 1.407 56.303 54.840 0.093 0.000 0.752 308 L CB -0.836 41.255 42.059 0.054 0.000 0.896 308 L HN -0.114 nan 8.230 nan 0.000 0.433 309 D N -0.117 120.318 120.400 0.058 0.000 2.312 309 D HA -0.115 4.530 4.640 0.009 0.000 0.211 309 D C 1.728 178.051 176.300 0.038 0.000 0.964 309 D CA 0.876 54.900 54.000 0.041 0.000 0.877 309 D CB 0.144 40.961 40.800 0.028 0.000 0.924 309 D HN 0.493 nan 8.370 nan 0.000 0.515 310 E N -0.059 120.171 120.200 0.049 0.000 2.472 310 E HA 0.102 4.458 4.350 0.009 0.000 0.196 310 E C 0.450 177.053 176.600 0.005 0.000 1.033 310 E CA -0.181 56.237 56.400 0.029 0.000 0.886 310 E CB 0.630 30.354 29.700 0.040 0.000 0.944 310 E HN 0.226 nan 8.360 nan 0.000 0.492 311 L N 2.388 123.616 121.223 0.009 0.000 2.453 311 L HA 0.062 4.407 4.340 0.009 0.000 0.272 311 L C 0.603 177.486 176.870 0.023 0.000 1.182 311 L CA 0.481 55.320 54.840 -0.002 0.000 0.858 311 L CB 0.242 42.314 42.059 0.021 0.000 1.120 311 L HN -0.029 nan 8.230 nan 0.000 0.474 312 E N 2.294 122.516 120.200 0.037 0.000 2.343 312 E HA 0.317 4.673 4.350 0.009 0.000 0.270 312 E C -1.005 175.641 176.600 0.076 0.000 0.895 312 E CA -0.791 55.638 56.400 0.049 0.000 0.767 312 E CB 1.943 31.669 29.700 0.044 0.000 1.248 312 E HN 0.462 nan 8.360 nan 0.000 0.440 313 E N 1.445 121.679 120.200 0.057 0.000 2.384 313 E HA 0.211 4.566 4.350 0.009 0.000 0.266 313 E C -0.272 176.370 176.600 0.069 0.000 1.012 313 E CA 0.437 56.870 56.400 0.055 0.000 0.901 313 E CB 0.817 30.527 29.700 0.016 0.000 0.967 313 E HN 0.230 nan 8.360 nan 0.000 0.435 314 M N 2.851 122.503 119.600 0.088 0.000 2.470 314 M HA 0.271 4.757 4.480 0.009 0.000 0.285 314 M C -1.454 174.873 176.300 0.045 0.000 1.213 314 M CA -0.784 54.559 55.300 0.073 0.000 0.901 314 M CB 1.914 34.587 32.600 0.122 0.000 1.718 314 M HN 0.345 nan 8.290 nan 0.000 0.469 315 M N 5.784 125.391 119.600 0.011 0.000 2.184 315 M HA 0.466 4.952 4.480 0.009 0.000 0.351 315 M C -1.171 175.109 176.300 -0.034 0.000 1.395 315 M CA -0.050 55.249 55.300 -0.001 0.000 1.117 315 M CB -0.192 32.401 32.600 -0.013 0.000 1.708 315 M HN 0.725 nan 8.290 nan 0.000 0.468 316 L N 2.528 123.733 121.223 -0.031 0.000 2.600 316 L HA 0.814 5.160 4.340 0.009 0.000 0.257 316 L C -1.606 175.157 176.870 -0.178 0.000 1.048 316 L CA -1.029 53.723 54.840 -0.148 0.000 0.869 316 L CB 2.016 43.899 42.059 -0.293 0.000 1.482 316 L HN 0.240 nan 8.230 nan 0.000 0.408 317 V N 1.582 121.353 119.914 -0.238 0.000 2.483 317 V HA 0.586 4.711 4.120 0.009 0.000 0.295 317 V C -0.193 175.674 176.094 -0.379 0.000 1.035 317 V CA -0.463 61.633 62.300 -0.341 0.000 0.896 317 V CB 1.861 33.548 31.823 -0.226 0.000 0.986 317 V HN 0.532 nan 8.190 nan 0.000 0.447 318 V N 4.418 124.011 119.914 -0.535 0.000 2.444 318 V HA 0.457 4.582 4.120 0.009 0.000 0.294 318 V C -0.986 174.924 176.094 -0.307 0.000 1.022 318 V CA -0.708 61.356 62.300 -0.394 0.000 0.850 318 V CB 1.602 33.095 31.823 -0.550 0.000 0.992 318 V HN 0.935 nan 8.190 nan 0.000 0.426 319 H N 4.937 123.882 119.070 -0.209 0.000 2.476 319 H HA 0.796 5.356 4.556 0.008 0.000 0.328 319 H C -0.160 175.070 175.328 -0.162 0.000 1.073 319 H CA -0.437 55.553 56.048 -0.096 0.000 1.229 319 H CB 1.563 31.313 29.762 -0.019 0.000 1.432 319 H HN 0.717 nan 8.280 nan 0.000 0.477 320 M N 4.445 123.994 119.600 -0.086 0.000 2.284 320 M HA 0.440 4.925 4.480 0.009 0.000 0.281 320 M C -3.206 173.019 176.300 -0.125 0.000 1.083 320 M CA -1.890 53.309 55.300 -0.169 0.000 0.965 320 M CB 2.658 35.107 32.600 -0.251 0.000 1.717 320 M HN 0.270 nan 8.290 nan 0.000 0.479 321 P HA 0.042 nan 4.420 nan 0.000 0.267 321 P C -1.386 176.051 177.300 0.229 0.000 1.200 321 P CA 0.105 63.254 63.100 0.083 0.000 0.772 321 P CB 0.522 32.245 31.700 0.037 0.000 0.855 322 R N 3.159 123.747 120.500 0.147 0.000 2.196 322 R HA 0.464 4.810 4.340 0.009 0.000 0.340 322 R C -0.313 176.093 176.300 0.178 0.000 1.043 322 R CA -0.281 55.876 56.100 0.095 0.000 0.883 322 R CB -0.284 30.031 30.300 0.026 0.000 1.078 322 R HN 0.554 nan 8.270 nan 0.000 0.462 323 F N 0.968 120.878 119.950 -0.067 0.000 2.985 323 F HA 0.614 5.147 4.527 0.009 0.000 0.322 323 F C -1.705 173.995 175.800 -0.168 0.000 1.187 323 F CA -1.475 56.459 58.000 -0.110 0.000 0.910 323 F CB 1.120 40.045 39.000 -0.125 0.000 1.411 323 F HN 0.367 nan 8.300 nan 0.000 0.492 324 R N 1.688 121.999 120.500 -0.314 0.000 2.561 324 R HA 0.755 5.101 4.340 0.009 0.000 0.266 324 R C -2.197 173.958 176.300 -0.242 0.000 1.091 324 R CA -0.736 55.048 56.100 -0.527 0.000 0.927 324 R CB 1.983 31.973 30.300 -0.518 0.000 1.240 324 R HN 1.101 nan 8.270 nan 0.000 0.449 325 I N -1.226 119.140 120.570 -0.341 0.000 2.934 325 I HA 0.654 4.829 4.170 0.009 0.000 0.306 325 I C -1.140 174.871 176.117 -0.177 0.000 1.110 325 I CA -1.023 60.180 61.300 -0.162 0.000 1.019 325 I CB 2.810 40.778 38.000 -0.054 0.000 1.227 325 I HN 0.697 nan 8.210 nan 0.000 0.434 326 E N 2.555 122.765 120.200 0.017 0.000 2.263 326 E HA 0.411 4.767 4.350 0.009 0.000 0.268 326 E C -1.805 174.937 176.600 0.237 0.000 0.884 326 E CA -0.719 55.773 56.400 0.153 0.000 0.766 326 E CB 2.709 32.509 29.700 0.166 0.000 1.196 326 E HN 0.548 nan 8.360 nan 0.000 0.416 327 D N 1.138 121.747 120.400 0.350 0.000 2.481 327 D HA 0.624 5.270 4.640 0.009 0.000 0.244 327 D C -0.927 175.610 176.300 0.395 0.000 1.057 327 D CA -0.443 53.807 54.000 0.416 0.000 0.848 327 D CB 2.102 43.235 40.800 0.555 0.000 1.388 327 D HN 0.565 nan 8.370 nan 0.000 0.475 328 G N 1.048 110.101 108.800 0.422 0.000 2.706 328 G HA2 0.740 4.706 3.960 0.009 0.000 0.297 328 G HA3 0.740 4.706 3.960 0.009 0.000 0.297 328 G C -1.408 173.755 174.900 0.438 0.000 1.403 328 G CA -0.802 44.449 45.100 0.252 0.000 0.954 328 G HN 0.435 nan 8.290 nan 0.000 0.500 329 F N -1.055 119.074 119.950 0.298 0.000 2.952 329 F HA 0.732 5.265 4.527 0.009 0.000 0.329 329 F C -0.598 175.418 175.800 0.360 0.000 1.137 329 F CA -1.280 56.895 58.000 0.291 0.000 0.889 329 F CB 0.915 40.051 39.000 0.228 0.000 1.335 329 F HN 0.668 nan 8.300 nan 0.000 0.449 330 S N 0.327 116.362 115.700 0.558 0.000 2.610 330 S HA 0.662 5.138 4.470 0.009 0.000 0.273 330 S C 0.055 174.904 174.600 0.416 0.000 1.274 330 S CA -0.632 57.760 58.200 0.320 0.000 1.023 330 S CB 0.943 64.258 63.200 0.192 0.000 0.962 330 S HN 0.727 nan 8.310 nan 0.000 0.523 331 L N 3.575 124.957 121.223 0.265 0.000 2.731 331 L HA 0.325 4.670 4.340 0.009 0.000 0.240 331 L C 2.187 179.160 176.870 0.172 0.000 1.120 331 L CA -0.078 54.984 54.840 0.370 0.000 0.913 331 L CB -0.202 42.095 42.059 0.397 0.000 1.213 331 L HN 0.677 nan 8.230 nan 0.000 0.515 332 K N 1.359 121.728 120.400 -0.052 0.000 1.991 332 K HA -0.227 4.099 4.320 0.009 0.000 0.212 332 K C 1.731 178.112 176.600 -0.365 0.000 1.049 332 K CA 2.050 58.042 56.287 -0.492 0.000 0.932 332 K CB 0.166 32.214 32.500 -0.753 0.000 0.717 332 K HN 0.171 nan 8.250 nan 0.000 0.441 333 E N 1.088 121.171 120.200 -0.194 0.000 2.055 333 E HA -0.289 4.067 4.350 0.009 0.000 0.209 333 E C 2.136 178.673 176.600 -0.104 0.000 1.036 333 E CA 2.181 58.502 56.400 -0.131 0.000 0.849 333 E CB -0.442 29.216 29.700 -0.070 0.000 0.767 333 E HN 0.459 nan 8.360 nan 0.000 0.461 334 Q N 0.687 120.448 119.800 -0.064 0.000 2.084 334 Q HA -0.085 4.260 4.340 0.009 0.000 0.202 334 Q C 2.493 178.420 176.000 -0.121 0.000 0.978 334 Q CA 1.237 56.972 55.803 -0.113 0.000 0.844 334 Q CB -0.689 27.936 28.738 -0.189 0.000 0.898 334 Q HN 0.351 nan 8.270 nan 0.000 0.426 335 L N 0.814 122.054 121.223 0.027 0.000 2.079 335 L HA -0.222 4.123 4.340 0.009 0.000 0.210 335 L C 2.751 179.626 176.870 0.008 0.000 1.081 335 L CA 1.421 56.283 54.840 0.036 0.000 0.752 335 L CB -0.459 41.683 42.059 0.137 0.000 0.896 335 L HN 0.308 nan 8.230 nan 0.000 0.433 336 Q N -0.300 119.485 119.800 -0.025 0.000 2.020 336 Q HA -0.215 4.131 4.340 0.009 0.000 0.202 336 Q C 1.757 177.733 176.000 -0.041 0.000 0.982 336 Q CA 1.486 57.290 55.803 0.002 0.000 0.838 336 Q CB -0.255 28.442 28.738 -0.068 0.000 0.899 336 Q HN 0.468 nan 8.270 nan 0.000 0.423 337 D N 0.477 120.822 120.400 -0.092 0.000 2.228 337 D HA -0.139 4.506 4.640 0.009 0.000 0.203 337 D C 1.605 177.808 176.300 -0.162 0.000 0.988 337 D CA 1.232 55.173 54.000 -0.098 0.000 0.864 337 D CB -0.027 40.730 40.800 -0.072 0.000 0.928 337 D HN 0.337 nan 8.370 nan 0.000 0.469 338 M N -1.400 118.035 119.600 -0.276 0.000 2.556 338 M HA 0.166 4.651 4.480 0.009 0.000 0.245 338 M C 1.345 177.575 176.300 -0.118 0.000 1.128 338 M CA 0.620 55.749 55.300 -0.286 0.000 1.069 338 M CB 1.046 33.418 32.600 -0.380 0.000 1.469 338 M HN 0.129 nan 8.290 nan 0.000 0.494 339 G N 0.375 109.137 108.800 -0.062 0.000 2.480 339 G HA2 -0.134 3.831 3.960 0.009 0.000 0.193 339 G HA3 -0.134 3.831 3.960 0.009 0.000 0.193 339 G C 0.017 174.934 174.900 0.029 0.000 1.004 339 G CA -0.705 44.385 45.100 -0.016 0.000 0.696 339 G HN 0.261 nan 8.290 nan 0.000 0.478 340 L N 2.802 124.063 121.223 0.063 0.000 2.454 340 L HA 0.332 4.677 4.340 0.009 0.000 0.284 340 L C 1.523 178.539 176.870 0.243 0.000 1.139 340 L CA 0.043 54.972 54.840 0.147 0.000 0.911 340 L CB 0.974 43.162 42.059 0.216 0.000 1.262 340 L HN 0.137 nan 8.230 nan 0.000 0.453 341 V N 1.449 121.464 119.914 0.169 0.000 2.911 341 V HA -0.013 4.112 4.120 0.009 0.000 0.237 341 V C 1.563 177.766 176.094 0.182 0.000 1.156 341 V CA 0.230 62.646 62.300 0.194 0.000 1.180 341 V CB -0.086 31.799 31.823 0.102 0.000 0.932 341 V HN 0.525 nan 8.190 nan 0.000 0.483 342 D N 1.102 121.562 120.400 0.100 0.000 2.103 342 D HA -0.202 4.444 4.640 0.009 0.000 0.190 342 D C 1.965 178.301 176.300 0.060 0.000 0.997 342 D CA 1.556 55.596 54.000 0.068 0.000 0.833 342 D CB -0.469 40.352 40.800 0.034 0.000 0.961 342 D HN 0.254 nan 8.370 nan 0.000 0.447 343 L N -0.396 120.816 121.223 -0.017 0.000 2.211 343 L HA -0.197 4.149 4.340 0.009 0.000 0.216 343 L C 1.584 178.351 176.870 -0.172 0.000 1.092 343 L CA 1.599 56.346 54.840 -0.154 0.000 0.767 343 L CB -0.403 41.464 42.059 -0.321 0.000 0.894 343 L HN 0.050 nan 8.230 nan 0.000 0.437 344 F N -2.236 117.807 119.950 0.155 0.000 2.749 344 F HA 0.218 4.751 4.527 0.009 0.000 0.300 344 F C 1.448 177.343 175.800 0.158 0.000 1.103 344 F CA 0.128 58.243 58.000 0.191 0.000 1.342 344 F CB -0.093 38.986 39.000 0.132 0.000 1.098 344 F HN -0.046 nan 8.300 nan 0.000 0.586 345 S N 1.581 117.415 115.700 0.223 0.000 2.416 345 S HA 0.200 4.675 4.470 0.009 0.000 0.287 345 S C -1.636 172.919 174.600 -0.075 0.000 1.139 345 S CA -1.590 56.642 58.200 0.053 0.000 1.058 345 S CB 0.788 64.018 63.200 0.051 0.000 0.967 345 S HN -0.123 nan 8.310 nan 0.000 0.495 346 P HA -0.113 nan 4.420 nan 0.000 0.217 346 P C 0.759 177.948 177.300 -0.185 0.000 1.148 346 P CA 1.174 63.895 63.100 -0.631 0.000 0.828 346 P CB 0.226 31.452 31.700 -0.790 0.000 0.783 347 E N -0.614 119.515 120.200 -0.120 0.000 2.051 347 E HA -0.065 4.290 4.350 0.009 0.000 0.189 347 E C 1.730 178.323 176.600 -0.013 0.000 0.979 347 E CA 1.214 57.583 56.400 -0.051 0.000 0.803 347 E CB -0.518 29.156 29.700 -0.043 0.000 0.761 347 E HN 0.264 nan 8.360 nan 0.000 0.451 348 K N 0.309 120.709 120.400 -0.001 0.000 2.323 348 K HA 0.189 4.515 4.320 0.009 0.000 0.197 348 K C 0.730 177.348 176.600 0.031 0.000 1.043 348 K CA 0.032 56.330 56.287 0.017 0.000 0.997 348 K CB 0.383 32.895 32.500 0.022 0.000 0.807 348 K HN -0.093 nan 8.250 nan 0.000 0.497 349 S N 1.883 117.615 115.700 0.053 0.000 2.546 349 S HA -0.010 4.466 4.470 0.009 0.000 0.290 349 S C -0.208 174.415 174.600 0.038 0.000 1.290 349 S CA 0.129 58.365 58.200 0.060 0.000 1.069 349 S CB 0.245 63.521 63.200 0.126 0.000 0.846 349 S HN 0.014 nan 8.310 nan 0.000 0.495 350 K N 5.831 126.241 120.400 0.015 0.000 2.478 350 K HA 0.321 4.647 4.320 0.009 0.000 0.236 350 K C -0.782 175.809 176.600 -0.015 0.000 1.021 350 K CA -0.136 56.153 56.287 0.004 0.000 1.010 350 K CB 0.885 33.389 32.500 0.007 0.000 1.331 350 K HN 0.611 nan 8.250 nan 0.000 0.470 351 L N 4.055 125.259 121.223 -0.031 0.000 3.096 351 L HA 0.196 4.541 4.340 0.009 0.000 0.272 351 L C -1.141 175.675 176.870 -0.089 0.000 1.311 351 L CA -1.108 53.690 54.840 -0.070 0.000 0.943 351 L CB 0.828 42.831 42.059 -0.093 0.000 1.348 351 L HN 0.174 nan 8.230 nan 0.000 0.562 352 P HA -0.158 nan 4.420 nan 0.000 0.221 352 P C 1.357 178.610 177.300 -0.080 0.000 1.145 352 P CA 1.294 64.359 63.100 -0.058 0.000 0.795 352 P CB 0.342 32.024 31.700 -0.030 0.000 0.775 353 G N -0.449 108.286 108.800 -0.109 0.000 2.623 353 G HA2 -0.037 3.928 3.960 0.009 0.000 0.214 353 G HA3 -0.037 3.928 3.960 0.009 0.000 0.214 353 G C 1.542 176.295 174.900 -0.246 0.000 1.138 353 G CA -0.013 45.017 45.100 -0.117 0.000 0.794 353 G HN 0.229 nan 8.290 nan 0.000 0.535 354 I N 0.443 120.767 120.570 -0.410 0.000 2.094 354 I HA -0.046 4.129 4.170 0.009 0.000 0.234 354 I C 0.759 176.810 176.117 -0.110 0.000 1.063 354 I CA 0.618 61.578 61.300 -0.566 0.000 1.328 354 I CB -0.321 37.408 38.000 -0.451 0.000 1.058 354 I HN -0.169 nan 8.210 nan 0.000 0.400 355 V N 1.357 121.203 119.914 -0.114 0.000 2.432 355 V HA 0.300 4.425 4.120 0.009 0.000 0.275 355 V C 0.896 176.922 176.094 -0.113 0.000 1.043 355 V CA 0.061 62.263 62.300 -0.163 0.000 0.925 355 V CB 1.164 32.844 31.823 -0.237 0.000 0.985 355 V HN 0.348 nan 8.190 nan 0.000 0.466 356 A N 4.328 127.090 122.820 -0.097 0.000 1.861 356 A HA 0.203 4.528 4.320 0.009 0.000 0.212 356 A C 0.729 178.268 177.584 -0.075 0.000 1.199 356 A CA 0.637 52.639 52.037 -0.059 0.000 0.613 356 A CB 0.110 19.094 19.000 -0.027 0.000 0.846 356 A HN 0.784 nan 8.150 nan 0.000 0.446 357 E N -2.505 117.631 120.200 -0.107 0.000 2.287 357 E HA 0.496 4.851 4.350 0.009 0.000 0.274 357 E C -0.124 176.393 176.600 -0.137 0.000 0.896 357 E CA 0.046 56.387 56.400 -0.098 0.000 0.788 357 E CB 1.901 31.561 29.700 -0.068 0.000 1.244 357 E HN 0.519 nan 8.360 nan 0.000 0.408 358 G N 2.684 111.413 108.800 -0.119 0.000 2.341 358 G HA2 -0.012 3.954 3.960 0.009 0.000 0.059 358 G HA3 -0.012 3.954 3.960 0.009 0.000 0.059 358 G C -1.169 173.675 174.900 -0.092 0.000 0.897 358 G CA -0.850 44.175 45.100 -0.124 0.000 1.142 358 G HN 0.308 nan 8.290 nan 0.000 0.433 359 R N 2.146 122.585 120.500 -0.102 0.000 2.505 359 R HA 0.400 4.745 4.340 0.009 0.000 0.284 359 R C -0.829 175.436 176.300 -0.059 0.000 1.324 359 R CA -0.401 55.664 56.100 -0.059 0.000 1.432 359 R CB 1.040 31.320 30.300 -0.033 0.000 1.107 359 R HN 0.652 nan 8.270 nan 0.000 0.587 360 D N -0.018 120.348 120.400 -0.055 0.000 2.511 360 D HA 0.127 4.772 4.640 0.009 0.000 0.276 360 D C -0.334 175.959 176.300 -0.011 0.000 1.220 360 D CA -0.507 53.465 54.000 -0.048 0.000 1.077 360 D CB 0.427 41.188 40.800 -0.064 0.000 1.126 360 D HN 0.209 nan 8.370 nan 0.000 0.583 361 D N -1.346 119.049 120.400 -0.009 0.000 3.061 361 D HA -0.069 4.576 4.640 0.009 0.000 0.252 361 D C -0.897 175.444 176.300 0.069 0.000 1.080 361 D CA 0.104 54.117 54.000 0.022 0.000 0.871 361 D CB -0.766 40.050 40.800 0.026 0.000 1.018 361 D HN 0.205 nan 8.370 nan 0.000 0.425 362 L N 1.100 122.342 121.223 0.032 0.000 2.399 362 L HA 0.666 5.012 4.340 0.009 0.000 0.265 362 L C 0.509 177.417 176.870 0.063 0.000 1.089 362 L CA -0.620 54.224 54.840 0.006 0.000 0.802 362 L CB -0.080 41.927 42.059 -0.087 0.000 1.180 362 L HN 0.334 nan 8.230 nan 0.000 0.454 363 Y N -1.857 118.424 120.300 -0.032 0.000 2.597 363 Y HA 0.719 5.274 4.550 0.009 0.000 0.340 363 Y C -0.773 175.106 175.900 -0.036 0.000 1.097 363 Y CA -1.530 56.548 58.100 -0.035 0.000 1.037 363 Y CB 0.887 39.349 38.460 0.003 0.000 1.305 363 Y HN 0.128 nan 8.280 nan 0.000 0.463 364 V N 3.152 122.972 119.914 -0.156 0.000 2.488 364 V HA 0.103 4.229 4.120 0.009 0.000 0.277 364 V C 0.998 177.141 176.094 0.083 0.000 1.046 364 V CA 0.706 62.903 62.300 -0.172 0.000 0.986 364 V CB 0.881 32.555 31.823 -0.248 0.000 0.989 364 V HN 1.040 nan 8.190 nan 0.000 0.475 365 S N 2.429 118.098 115.700 -0.051 0.000 2.446 365 S HA 0.041 4.516 4.470 0.009 0.000 0.225 365 S C 0.493 175.237 174.600 0.239 0.000 1.016 365 S CA 0.550 58.865 58.200 0.191 0.000 0.943 365 S CB 0.156 63.401 63.200 0.074 0.000 0.786 365 S HN 0.866 nan 8.310 nan 0.000 0.508 366 D N -1.132 119.365 120.400 0.163 0.000 2.926 366 D HA 0.491 5.137 4.640 0.009 0.000 0.282 366 D C -2.163 174.061 176.300 -0.126 0.000 1.201 366 D CA -0.061 53.952 54.000 0.021 0.000 0.735 366 D CB 1.353 42.049 40.800 -0.173 0.000 1.257 366 D HN 0.361 nan 8.370 nan 0.000 0.428 367 A N 1.163 123.795 122.820 -0.314 0.000 2.422 367 A HA 0.757 5.082 4.320 0.009 0.000 0.302 367 A C -1.644 175.628 177.584 -0.520 0.000 1.041 367 A CA -0.526 51.380 52.037 -0.218 0.000 0.708 367 A CB 0.924 20.118 19.000 0.323 0.000 1.257 367 A HN 0.289 nan 8.150 nan 0.000 0.414 368 F N 0.083 120.128 119.950 0.159 0.000 2.598 368 F HA 0.747 5.280 4.527 0.009 0.000 0.327 368 F C 0.170 176.010 175.800 0.067 0.000 1.057 368 F CA -0.337 57.721 58.000 0.096 0.000 0.957 368 F CB 2.260 41.288 39.000 0.047 0.000 1.278 368 F HN 0.796 nan 8.300 nan 0.000 0.484 369 H N 0.746 119.804 119.070 -0.020 0.000 2.996 369 H HA 0.559 5.120 4.556 0.009 0.000 0.368 369 H C -1.650 173.529 175.328 -0.249 0.000 1.185 369 H CA -0.910 55.022 56.048 -0.194 0.000 1.160 369 H CB 1.975 31.477 29.762 -0.433 0.000 1.820 369 H HN 0.605 nan 8.280 nan 0.000 0.547 370 K N 2.871 122.940 120.400 -0.553 0.000 2.525 370 K HA 0.775 5.101 4.320 0.009 0.000 0.254 370 K C -1.938 174.569 176.600 -0.154 0.000 0.934 370 K CA -0.661 55.510 56.287 -0.194 0.000 0.802 370 K CB 1.940 34.409 32.500 -0.052 0.000 1.295 370 K HN 0.655 nan 8.250 nan 0.000 0.433 371 A N 2.472 125.402 122.820 0.183 0.000 2.515 371 A HA 0.839 5.165 4.320 0.009 0.000 0.296 371 A C -1.995 175.951 177.584 0.603 0.000 1.094 371 A CA -0.606 51.690 52.037 0.431 0.000 0.718 371 A CB 1.166 20.508 19.000 0.570 0.000 1.307 371 A HN 0.579 nan 8.150 nan 0.000 0.408 372 F N 1.262 121.477 119.950 0.442 0.000 2.588 372 F HA 0.689 5.222 4.527 0.010 0.000 0.318 372 F C -2.036 173.742 175.800 -0.035 0.000 1.155 372 F CA -1.184 56.925 58.000 0.181 0.000 0.967 372 F CB 1.831 40.887 39.000 0.092 0.000 1.236 372 F HN 0.580 nan 8.300 nan 0.000 0.455 373 L N 5.480 126.274 121.223 -0.715 0.000 2.409 373 L HA 0.638 4.984 4.340 0.009 0.000 0.272 373 L C -1.548 174.724 176.870 -0.997 0.000 0.980 373 L CA -0.165 54.160 54.840 -0.859 0.000 0.826 373 L CB 1.924 43.100 42.059 -1.472 0.000 1.268 373 L HN 0.771 nan 8.230 nan 0.000 0.407 374 E N 3.604 123.390 120.200 -0.690 0.000 2.256 374 E HA 0.702 5.058 4.350 0.009 0.000 0.268 374 E C -1.941 174.372 176.600 -0.479 0.000 0.877 374 E CA -0.717 55.291 56.400 -0.653 0.000 0.757 374 E CB 2.121 31.602 29.700 -0.365 0.000 1.183 374 E HN 0.516 nan 8.360 nan 0.000 0.418 375 V N 4.622 124.153 119.914 -0.639 0.000 2.588 375 V HA 0.506 4.632 4.120 0.009 0.000 0.304 375 V C -0.428 175.595 176.094 -0.118 0.000 1.042 375 V CA -0.699 61.433 62.300 -0.281 0.000 0.877 375 V CB 1.581 33.279 31.823 -0.207 0.000 0.996 375 V HN 0.867 nan 8.190 nan 0.000 0.425 376 N N 2.402 121.156 118.700 0.091 0.000 3.418 376 N HA 0.360 5.105 4.740 0.009 0.000 0.316 376 N C 0.357 176.066 175.510 0.331 0.000 1.601 376 N CA -0.803 52.316 53.050 0.116 0.000 0.805 376 N CB 0.850 39.373 38.487 0.060 0.000 1.873 376 N HN 0.242 nan 8.380 nan 0.000 0.615 377 E N -0.295 120.061 120.200 0.261 0.000 2.110 377 E HA -0.100 4.256 4.350 0.009 0.000 0.193 377 E C 0.872 177.856 176.600 0.639 0.000 0.988 377 E CA 1.514 58.179 56.400 0.441 0.000 0.804 377 E CB -0.108 29.765 29.700 0.288 0.000 0.745 377 E HN 0.600 nan 8.360 nan 0.000 0.458 378 E N -0.591 119.836 120.200 0.377 0.000 2.072 378 E HA 0.126 4.481 4.350 0.009 0.000 0.190 378 E C 0.998 177.656 176.600 0.097 0.000 0.982 378 E CA 1.125 57.680 56.400 0.259 0.000 0.803 378 E CB 0.062 29.825 29.700 0.106 0.000 0.755 378 E HN 0.262 nan 8.360 nan 0.000 0.453 379 G N -1.474 107.199 108.800 -0.212 0.000 2.498 379 G HA2 0.322 4.288 3.960 0.009 0.000 0.181 379 G HA3 0.322 4.288 3.960 0.009 0.000 0.181 379 G C -1.134 173.405 174.900 -0.600 0.000 1.169 379 G CA -0.114 44.342 45.100 -1.075 0.000 0.992 379 G HN 0.033 nan 8.290 nan 0.000 0.490 380 S N -0.598 114.862 115.700 -0.401 0.000 2.570 380 S HA 0.681 5.157 4.470 0.009 0.000 0.286 380 S C -1.536 172.907 174.600 -0.262 0.000 1.099 380 S CA -0.419 57.686 58.200 -0.158 0.000 0.913 380 S CB 1.875 65.180 63.200 0.176 0.000 1.085 380 S HN 0.672 nan 8.310 nan 0.000 0.480 381 E N 1.689 121.786 120.200 -0.172 0.000 2.244 381 E HA 0.661 5.017 4.350 0.009 0.000 0.260 381 E C -1.431 175.131 176.600 -0.062 0.000 0.884 381 E CA -0.663 55.618 56.400 -0.199 0.000 0.777 381 E CB 1.445 31.104 29.700 -0.069 0.000 1.197 381 E HN 0.669 nan 8.360 nan 0.000 0.416 382 A N 2.864 125.590 122.820 -0.158 0.000 2.414 382 A HA 0.919 5.244 4.320 0.009 0.000 0.306 382 A C -1.307 176.154 177.584 -0.205 0.000 1.054 382 A CA -0.199 51.690 52.037 -0.248 0.000 0.724 382 A CB 1.808 20.264 19.000 -0.907 0.000 1.267 382 A HN 0.613 nan 8.150 nan 0.000 0.418 383 A N 0.469 123.384 122.820 0.159 0.000 2.572 383 A HA 1.009 5.334 4.320 0.009 0.000 0.295 383 A C -0.443 177.439 177.584 0.497 0.000 1.072 383 A CA 0.040 52.270 52.037 0.321 0.000 0.691 383 A CB 1.449 20.528 19.000 0.131 0.000 1.291 383 A HN 2.639 nan 8.150 nan 0.000 0.404 384 A N 0.021 123.081 122.820 0.399 0.000 2.609 384 A HA 0.963 5.288 4.320 0.009 0.000 0.291 384 A C -0.555 177.051 177.584 0.036 0.000 1.096 384 A CA 0.077 52.235 52.037 0.202 0.000 0.684 384 A CB 1.302 20.475 19.000 0.289 0.000 1.282 384 A HN 2.262 nan 8.150 nan 0.000 0.412 385 S N -0.830 114.772 115.700 -0.163 0.000 2.537 385 S HA 0.788 5.263 4.470 0.009 0.000 0.271 385 S C -1.263 173.278 174.600 -0.097 0.000 1.148 385 S CA -0.107 58.054 58.200 -0.065 0.000 0.868 385 S CB 1.780 64.977 63.200 -0.004 0.000 1.115 385 S HN 1.154 nan 8.310 nan 0.000 0.461 386 T N 2.688 117.286 114.554 0.074 0.000 2.881 386 T HA 0.784 5.139 4.350 0.009 0.000 0.290 386 T C -0.954 173.807 174.700 0.102 0.000 1.000 386 T CA -0.443 61.750 62.100 0.155 0.000 0.978 386 T CB 1.505 70.513 68.868 0.233 0.000 0.997 386 T HN 0.983 nan 8.240 nan 0.000 0.443 387 A N 2.881 125.777 122.820 0.127 0.000 2.357 387 A HA 0.718 5.043 4.320 0.009 0.000 0.295 387 A C -0.538 177.080 177.584 0.057 0.000 1.121 387 A CA -0.605 51.495 52.037 0.106 0.000 0.742 387 A CB 0.837 19.939 19.000 0.170 0.000 1.181 387 A HN 0.674 nan 8.150 nan 0.000 0.454 388 V N 3.172 123.032 119.914 -0.090 0.000 2.432 388 V HA 0.360 4.485 4.120 0.009 0.000 0.275 388 V C -0.047 175.988 176.094 -0.098 0.000 1.043 388 V CA -0.376 61.812 62.300 -0.188 0.000 0.925 388 V CB 1.381 32.928 31.823 -0.460 0.000 0.985 388 V HN 0.597 nan 8.190 nan 0.000 0.466 389 V N 6.176 126.052 119.914 -0.063 0.000 2.370 389 V HA 0.423 4.549 4.120 0.009 0.000 0.283 389 V C -0.040 175.961 176.094 -0.156 0.000 1.023 389 V CA -0.573 61.683 62.300 -0.073 0.000 0.857 389 V CB 1.579 33.413 31.823 0.019 0.000 0.985 389 V HN 0.573 nan 8.190 nan 0.000 0.443 390 I N 4.141 124.589 120.570 -0.204 0.000 2.325 390 I HA 0.394 4.570 4.170 0.009 0.000 0.291 390 I C 1.063 176.969 176.117 -0.352 0.000 1.019 390 I CA -0.086 61.043 61.300 -0.284 0.000 1.302 390 I CB 0.498 38.381 38.000 -0.194 0.000 1.401 390 I HN 0.951 nan 8.210 nan 0.000 0.485 391 A N 4.570 127.024 122.820 -0.611 0.000 2.791 391 A HA -0.098 4.227 4.320 0.009 0.000 0.292 391 A C 0.894 178.354 177.584 -0.208 0.000 1.487 391 A CA 0.895 52.607 52.037 -0.542 0.000 0.760 391 A CB -1.995 16.824 19.000 -0.302 0.000 1.031 391 A HN 0.992 nan 8.150 nan 0.000 0.503 392 G N -1.170 107.536 108.800 -0.157 0.000 2.671 392 G HA2 0.575 4.541 3.960 0.009 0.000 0.275 392 G HA3 0.575 4.541 3.960 0.009 0.000 0.275 392 G C -0.027 174.904 174.900 0.053 0.000 1.368 392 G CA -0.300 44.764 45.100 -0.059 0.000 1.044 392 G HN 0.882 nan 8.290 nan 0.000 0.543 393 R N -0.013 120.528 120.500 0.069 0.000 2.234 393 R HA 0.386 4.731 4.340 0.009 0.000 0.324 393 R C 0.086 176.469 176.300 0.139 0.000 1.054 393 R CA -0.156 56.005 56.100 0.102 0.000 0.912 393 R CB 0.631 30.977 30.300 0.077 0.000 1.030 393 R HN 0.361 nan 8.270 nan 0.000 0.455 394 S N 5.313 121.104 115.700 0.152 0.000 2.466 394 S HA 0.127 4.602 4.470 0.009 0.000 0.286 394 S C 0.572 175.257 174.600 0.142 0.000 1.221 394 S CA -0.545 57.748 58.200 0.155 0.000 1.091 394 S CB 0.028 63.311 63.200 0.139 0.000 0.956 394 S HN 0.521 nan 8.310 nan 0.000 0.501 395 L N 4.141 125.481 121.223 0.195 0.000 2.464 395 L HA 0.331 4.677 4.340 0.009 0.000 0.224 395 L C 1.056 178.010 176.870 0.140 0.000 1.219 395 L CA -0.553 54.396 54.840 0.182 0.000 0.831 395 L CB 0.228 42.448 42.059 0.268 0.000 1.284 395 L HN 0.601 nan 8.230 nan 0.000 0.522 396 N N 0.343 119.117 118.700 0.124 0.000 2.443 396 N HA 0.284 5.030 4.740 0.009 0.000 0.269 396 N C -2.477 173.102 175.510 0.114 0.000 0.985 396 N CA -1.448 51.659 53.050 0.095 0.000 0.921 396 N CB 1.509 40.037 38.487 0.068 0.000 1.195 396 N HN 0.203 nan 8.380 nan 0.000 0.492 397 P HA -0.110 nan 4.420 nan 0.000 0.235 397 P C -0.757 176.615 177.300 0.120 0.000 1.068 397 P CA 0.472 63.651 63.100 0.133 0.000 0.934 397 P CB -0.284 31.470 31.700 0.090 0.000 0.863 398 N N 3.241 122.027 118.700 0.143 0.000 2.415 398 N HA 0.060 4.806 4.740 0.009 0.000 0.246 398 N C 0.327 175.911 175.510 0.123 0.000 1.078 398 N CA -0.681 52.436 53.050 0.112 0.000 0.942 398 N CB 0.429 38.975 38.487 0.099 0.000 1.140 398 N HN 0.171 nan 8.380 nan 0.000 0.501 399 R N 2.452 123.010 120.500 0.097 0.000 2.541 399 R HA 0.496 4.841 4.340 0.009 0.000 0.263 399 R C -1.287 175.067 176.300 0.090 0.000 1.112 399 R CA -0.413 55.746 56.100 0.097 0.000 1.170 399 R CB 0.535 30.876 30.300 0.068 0.000 1.167 399 R HN 0.223 nan 8.270 nan 0.000 0.582 400 V N 1.668 121.641 119.914 0.098 0.000 2.791 400 V HA 0.119 4.245 4.120 0.009 0.000 0.258 400 V C -0.405 175.755 176.094 0.110 0.000 0.875 400 V CA -0.639 61.718 62.300 0.095 0.000 0.922 400 V CB 1.168 33.057 31.823 0.110 0.000 1.034 400 V HN 0.883 nan 8.190 nan 0.000 0.492 401 T N 2.552 117.162 114.554 0.094 0.000 2.813 401 T HA 0.587 4.943 4.350 0.009 0.000 0.297 401 T C -0.519 174.307 174.700 0.210 0.000 1.036 401 T CA 0.157 62.328 62.100 0.117 0.000 1.044 401 T CB 0.818 69.732 68.868 0.077 0.000 0.993 401 T HN 0.527 nan 8.240 nan 0.000 0.535 402 F N 1.076 121.025 119.950 -0.002 0.000 3.539 402 F HA 0.189 4.722 4.527 0.010 0.000 0.349 402 F C -0.827 174.966 175.800 -0.013 0.000 1.030 402 F CA -1.146 56.850 58.000 -0.007 0.000 1.498 402 F CB 0.623 39.619 39.000 -0.006 0.000 1.862 402 F HN 0.417 nan 8.300 nan 0.000 0.837 403 K N 4.452 125.014 120.400 0.269 0.000 2.350 403 K HA 0.615 4.940 4.320 0.009 0.000 0.279 403 K C 0.188 176.734 176.600 -0.090 0.000 1.027 403 K CA 0.398 56.713 56.287 0.046 0.000 0.969 403 K CB 1.718 34.254 32.500 0.060 0.000 0.954 403 K HN 0.558 nan 8.250 nan 0.000 0.474 404 A N 3.487 126.210 122.820 -0.162 0.000 3.251 404 A HA 0.481 4.807 4.320 0.009 0.000 0.194 404 A C -0.418 177.183 177.584 0.029 0.000 1.365 404 A CA -0.205 51.751 52.037 -0.135 0.000 1.543 404 A CB 0.686 19.520 19.000 -0.277 0.000 1.626 404 A HN 0.850 nan 8.150 nan 0.000 0.563 405 N N -2.261 116.513 118.700 0.123 0.000 3.951 405 N HA 0.225 4.971 4.740 0.009 0.000 0.222 405 N C -1.447 174.153 175.510 0.149 0.000 1.352 405 N CA -0.905 52.205 53.050 0.099 0.000 0.852 405 N CB 0.611 39.109 38.487 0.018 0.000 1.444 405 N HN 0.377 nan 8.380 nan 0.000 0.473 406 R N -0.884 119.661 120.500 0.074 0.000 3.034 406 R HA -0.114 4.231 4.340 0.009 0.000 0.237 406 R C -2.471 173.905 176.300 0.127 0.000 0.861 406 R CA 0.428 56.581 56.100 0.087 0.000 0.588 406 R CB -2.458 27.885 30.300 0.071 0.000 1.035 406 R HN 0.440 nan 8.270 nan 0.000 0.488 407 P HA 0.290 nan 4.420 nan 0.000 0.276 407 P C -0.207 177.134 177.300 0.069 0.000 1.252 407 P CA -0.259 62.816 63.100 -0.042 0.000 0.802 407 P CB 0.570 32.211 31.700 -0.098 0.000 1.035 408 F N -1.407 118.525 119.950 -0.029 0.000 2.588 408 F HA 0.584 5.118 4.527 0.012 0.000 0.314 408 F C -0.716 175.080 175.800 -0.006 0.000 1.069 408 F CA -1.612 56.377 58.000 -0.018 0.000 0.931 408 F CB 0.729 39.710 39.000 -0.031 0.000 1.260 408 F HN 0.009 nan 8.300 nan 0.000 0.465 409 L N 2.684 124.029 121.223 0.203 0.000 2.418 409 L HA 0.698 5.043 4.340 0.009 0.000 0.265 409 L C -0.366 176.619 176.870 0.192 0.000 1.143 409 L CA -1.024 53.863 54.840 0.079 0.000 0.809 409 L CB 1.483 43.602 42.059 0.099 0.000 1.124 409 L HN 0.583 nan 8.230 nan 0.000 0.456 410 V N 1.325 121.227 119.914 -0.020 0.000 3.040 410 V HA 0.582 4.707 4.120 0.009 0.000 0.312 410 V C -0.987 175.031 176.094 -0.126 0.000 1.115 410 V CA -0.685 61.707 62.300 0.154 0.000 0.998 410 V CB 2.261 34.252 31.823 0.280 0.000 1.042 410 V HN 0.446 nan 8.190 nan 0.000 0.433 411 F N 2.003 122.125 119.950 0.287 0.000 2.615 411 F HA 0.627 5.160 4.527 0.009 0.000 0.312 411 F C -0.511 175.466 175.800 0.295 0.000 1.119 411 F CA -0.418 57.736 58.000 0.257 0.000 0.979 411 F CB 1.849 40.962 39.000 0.188 0.000 1.266 411 F HN 0.190 nan 8.300 nan 0.000 0.444 412 I N 4.552 125.405 120.570 0.471 0.000 2.420 412 I HA 0.464 4.639 4.170 0.009 0.000 0.282 412 I C -0.639 175.640 176.117 0.270 0.000 1.019 412 I CA -0.589 60.924 61.300 0.356 0.000 1.130 412 I CB 1.239 39.383 38.000 0.240 0.000 1.262 412 I HN 0.609 nan 8.210 nan 0.000 0.454 413 R N 4.314 124.958 120.500 0.241 0.000 2.832 413 R HA 0.605 4.951 4.340 0.009 0.000 0.271 413 R C -0.761 175.616 176.300 0.128 0.000 0.996 413 R CA -0.867 55.335 56.100 0.169 0.000 0.977 413 R CB 2.203 32.599 30.300 0.160 0.000 1.168 413 R HN 0.274 nan 8.270 nan 0.000 0.482 414 E N 2.278 122.532 120.200 0.090 0.000 2.113 414 E HA 0.128 4.483 4.350 0.009 0.000 0.273 414 E C 0.558 177.209 176.600 0.085 0.000 0.924 414 E CA -0.464 55.983 56.400 0.079 0.000 0.764 414 E CB 1.950 31.672 29.700 0.037 0.000 1.104 414 E HN 0.572 nan 8.360 nan 0.000 0.406 415 V N 6.507 126.481 119.914 0.100 0.000 2.270 415 V HA -0.132 3.994 4.120 0.009 0.000 0.245 415 V C -0.921 175.225 176.094 0.086 0.000 1.043 415 V CA 1.440 63.797 62.300 0.094 0.000 1.014 415 V CB -1.317 30.564 31.823 0.098 0.000 0.645 415 V HN 0.546 nan 8.190 nan 0.000 0.447 416 P HA -0.127 nan 4.420 nan 0.000 0.216 416 P C 1.543 178.894 177.300 0.085 0.000 1.150 416 P CA 1.443 64.583 63.100 0.067 0.000 0.843 416 P CB -0.072 31.660 31.700 0.053 0.000 0.787 417 L N -2.162 119.108 121.223 0.078 0.000 2.592 417 L HA 0.173 4.519 4.340 0.009 0.000 0.227 417 L C 0.475 177.404 176.870 0.098 0.000 1.127 417 L CA -0.027 54.864 54.840 0.085 0.000 0.884 417 L CB -1.181 40.896 42.059 0.031 0.000 1.065 417 L HN 0.023 nan 8.230 nan 0.000 0.457 418 N N 0.583 119.348 118.700 0.109 0.000 2.716 418 N HA -0.184 4.562 4.740 0.009 0.000 0.250 418 N C -0.574 174.952 175.510 0.027 0.000 1.033 418 N CA 0.904 54.008 53.050 0.089 0.000 0.727 418 N CB -0.878 37.697 38.487 0.148 0.000 0.950 418 N HN 0.184 nan 8.380 nan 0.000 0.541 419 T N 1.292 115.866 114.554 0.034 0.000 2.779 419 T HA 0.446 4.802 4.350 0.009 0.000 0.280 419 T C 0.536 175.270 174.700 0.056 0.000 0.987 419 T CA -0.547 61.567 62.100 0.024 0.000 0.966 419 T CB 0.790 69.660 68.868 0.004 0.000 0.933 419 T HN 0.192 nan 8.240 nan 0.000 0.442 420 I N 4.953 125.567 120.570 0.073 0.000 2.308 420 I HA 0.206 4.382 4.170 0.009 0.000 0.293 420 I C 1.182 177.346 176.117 0.078 0.000 1.078 420 I CA -0.158 61.220 61.300 0.131 0.000 1.292 420 I CB 0.503 38.614 38.000 0.185 0.000 1.423 420 I HN 0.694 nan 8.210 nan 0.000 0.493 421 I N 5.396 125.998 120.570 0.053 0.000 2.235 421 I HA -0.028 4.148 4.170 0.009 0.000 0.241 421 I C 0.185 176.091 176.117 -0.352 0.000 1.085 421 I CA 1.258 62.484 61.300 -0.124 0.000 1.378 421 I CB 0.066 38.031 38.000 -0.058 0.000 1.076 421 I HN 0.298 nan 8.210 nan 0.000 0.415 422 F N 0.685 120.666 119.950 0.052 0.000 2.576 422 F HA 0.593 5.125 4.527 0.009 0.000 0.313 422 F C -0.108 175.679 175.800 -0.022 0.000 1.078 422 F CA -0.911 57.061 58.000 -0.046 0.000 0.921 422 F CB 1.795 40.792 39.000 -0.005 0.000 1.232 422 F HN -0.173 nan 8.300 nan 0.000 0.459 423 M N 1.320 120.917 119.600 -0.005 0.000 2.470 423 M HA 0.974 5.460 4.480 0.009 0.000 0.285 423 M C -0.991 175.224 176.300 -0.142 0.000 1.213 423 M CA -0.326 54.862 55.300 -0.186 0.000 0.901 423 M CB 2.684 35.135 32.600 -0.249 0.000 1.718 423 M HN 0.755 nan 8.290 nan 0.000 0.469 424 G N 1.323 110.021 108.800 -0.170 0.000 2.428 424 G HA2 0.507 4.473 3.960 0.009 0.000 0.304 424 G HA3 0.507 4.473 3.960 0.009 0.000 0.304 424 G C -2.288 172.626 174.900 0.025 0.000 1.303 424 G CA -0.992 44.185 45.100 0.129 0.000 0.825 424 G HN 0.860 nan 8.290 nan 0.000 0.484 425 R N 0.406 120.973 120.500 0.111 0.000 2.467 425 R HA 0.515 4.861 4.340 0.009 0.000 0.299 425 R C -1.210 174.971 176.300 -0.198 0.000 1.120 425 R CA -0.371 55.703 56.100 -0.042 0.000 0.940 425 R CB 1.556 31.896 30.300 0.067 0.000 1.161 425 R HN 0.351 nan 8.270 nan 0.000 0.506 426 V N 4.415 124.016 119.914 -0.521 0.000 2.427 426 V HA 0.263 4.389 4.120 0.009 0.000 0.268 426 V C 0.851 176.484 176.094 -0.769 0.000 1.046 426 V CA 0.413 62.255 62.300 -0.763 0.000 0.970 426 V CB 1.056 32.086 31.823 -1.321 0.000 1.001 426 V HN 0.936 nan 8.190 nan 0.000 0.476 427 A N 4.539 127.069 122.820 -0.483 0.000 2.141 427 A HA 0.278 4.604 4.320 0.009 0.000 0.201 427 A C 0.880 178.218 177.584 -0.412 0.000 1.344 427 A CA -0.011 51.820 52.037 -0.344 0.000 0.971 427 A CB 0.087 18.955 19.000 -0.219 0.000 1.035 427 A HN 0.668 nan 8.150 nan 0.000 0.480 428 N N 0.615 119.012 118.700 -0.506 0.000 2.706 428 N HA 0.438 5.184 4.740 0.009 0.000 0.240 428 N C -2.554 172.612 175.510 -0.574 0.000 1.039 428 N CA -1.613 51.058 53.050 -0.631 0.000 0.888 428 N CB 1.617 39.724 38.487 -0.633 0.000 1.128 428 N HN -0.070 nan 8.380 nan 0.000 0.512 429 P HA 0.109 nan 4.420 nan 0.000 0.241 429 P C 0.535 177.663 177.300 -0.286 0.000 1.191 429 P CA 0.228 63.043 63.100 -0.476 0.000 0.771 429 P CB 0.303 31.715 31.700 -0.479 0.000 0.929 430 c N -0.942 117.437 118.600 -0.368 0.000 2.466 430 c HA -0.009 4.566 4.570 0.009 0.000 0.278 430 c C 1.568 175.632 174.090 -0.043 0.000 1.288 430 c CA 0.534 56.773 56.329 -0.151 0.000 1.722 430 c CB -1.289 41.161 42.510 -0.099 0.000 2.017 430 c HN 0.245 nan 8.230 nan 0.000 0.488 431 V N 0.000 119.887 119.914 -0.045 0.000 2.409 431 V HA 0.000 4.126 4.120 0.009 0.000 0.244 431 V CA 0.000 62.312 62.300 0.020 0.000 1.235 431 V CB 0.000 31.832 31.823 0.015 0.000 1.184 431 V HN 0.000 nan 8.190 nan 0.000 0.556