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 3chh_1_A DATA FIRST_RESID 24 DATA SEQUENCE GSATLGRLVR AWPRRAAVVN KADILDEWAD YDTLVPDYPL EIVPFAEHPL DATA SEQUENCE FLAAEPHQRQ RVLTGMWIGY NERVIATEQL IAEPAFDLVM HGVFPGSDDP DATA SEQUENCE LIRKSVQQAI VDESFHTYMH MLAIDRTREL RKISERPPQP ELVTYRRLRR DATA SEQUENCE VLADMPEQWE RDIAVLVWGA VAETCINALL ALLARDATIQ PMHSLITTLH DATA SEQUENCE LRDETAHGSI VVEVVRELYA RMNEQQRRAL VRCLPIALEA FAEQDLSALL DATA SEQUENCE LELNAAGIRG AEEIVGDLXX XXXXXRLVRD FSGARKMVEQ LGLDDAVDFD DATA SEQUENCE FPERPDW 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 24 G HA2 0.000 nan 3.960 nan 0.000 0.244 24 G HA3 0.000 4.099 3.960 0.231 0.000 0.244 24 G C 0.000 174.908 174.900 0.013 0.000 0.946 24 G CA 0.000 45.107 45.100 0.012 0.000 0.502 25 S N -0.325 115.384 115.700 0.015 0.000 2.575 25 S HA 0.374 4.982 4.470 0.231 0.000 0.295 25 S C 1.733 176.343 174.600 0.016 0.000 1.267 25 S CA 0.861 59.071 58.200 0.016 0.000 1.074 25 S CB 0.604 63.815 63.200 0.019 0.000 0.829 25 S HN 1.802 nan 8.310 nan 0.000 0.497 26 A N 5.126 127.956 122.820 0.017 0.000 1.929 26 A HA 0.013 4.472 4.320 0.231 0.000 0.216 26 A C 2.264 179.862 177.584 0.022 0.000 1.176 26 A CA 1.861 53.909 52.037 0.018 0.000 0.628 26 A CB -1.323 17.687 19.000 0.016 0.000 0.816 26 A HN 0.850 nan 8.150 nan 0.000 0.444 27 T N 0.410 114.978 114.554 0.023 0.000 2.652 27 T HA -0.159 4.330 4.350 0.231 0.000 0.267 27 T C 1.764 176.483 174.700 0.033 0.000 1.039 27 T CA 1.661 63.778 62.100 0.029 0.000 1.153 27 T CB -0.349 68.536 68.868 0.029 0.000 0.863 27 T HN 0.211 nan 8.240 nan 0.000 0.428 28 L N 1.141 122.380 121.223 0.026 0.000 2.046 28 L HA 0.063 4.542 4.340 0.231 0.000 0.208 28 L C 2.753 179.635 176.870 0.020 0.000 1.077 28 L CA 1.764 56.617 54.840 0.021 0.000 0.747 28 L CB -1.470 40.597 42.059 0.012 0.000 0.896 28 L HN 0.375 nan 8.230 nan 0.000 0.432 29 G N -0.878 107.933 108.800 0.020 0.000 2.421 29 G HA2 -0.333 3.766 3.960 0.231 0.000 0.216 29 G HA3 -0.333 3.766 3.960 0.231 0.000 0.216 29 G C 1.765 176.684 174.900 0.031 0.000 1.171 29 G CA 0.884 45.996 45.100 0.020 0.000 0.775 29 G HN 0.437 nan 8.290 nan 0.000 0.543 30 R N 0.151 120.672 120.500 0.035 0.000 2.096 30 R HA 0.087 4.566 4.340 0.231 0.000 0.235 30 R C 2.413 178.751 176.300 0.062 0.000 1.127 30 R CA 1.164 57.290 56.100 0.044 0.000 0.968 30 R CB -0.472 29.851 30.300 0.038 0.000 0.861 30 R HN 0.385 nan 8.270 nan 0.000 0.440 31 L N 0.487 121.749 121.223 0.065 0.000 2.056 31 L HA -0.131 4.348 4.340 0.231 0.000 0.207 31 L C 2.537 179.475 176.870 0.113 0.000 1.078 31 L CA 0.906 55.801 54.840 0.092 0.000 0.749 31 L CB -0.361 41.748 42.059 0.084 0.000 0.901 31 L HN 0.072 nan 8.230 nan 0.000 0.433 32 V N -0.080 119.874 119.914 0.066 0.000 2.287 32 V HA -0.303 3.956 4.120 0.231 0.000 0.248 32 V C 2.644 178.808 176.094 0.117 0.000 1.053 32 V CA 1.816 64.148 62.300 0.053 0.000 1.027 32 V CB -0.589 31.232 31.823 -0.002 0.000 0.646 32 V HN 0.412 nan 8.190 nan 0.000 0.447 33 R N -0.091 120.464 120.500 0.092 0.000 2.096 33 R HA -0.101 4.377 4.340 0.231 0.000 0.235 33 R C 2.231 178.600 176.300 0.115 0.000 1.127 33 R CA 1.448 57.604 56.100 0.093 0.000 0.968 33 R CB -0.464 29.872 30.300 0.060 0.000 0.861 33 R HN 0.542 nan 8.270 nan 0.000 0.440 34 A N -0.200 122.695 122.820 0.125 0.000 2.123 34 A HA -0.121 4.338 4.320 0.231 0.000 0.214 34 A C 1.660 179.330 177.584 0.142 0.000 1.152 34 A CA 0.176 52.278 52.037 0.108 0.000 0.728 34 A CB -0.546 18.510 19.000 0.093 0.000 0.814 34 A HN 0.559 nan 8.150 nan 0.000 0.464 35 W N 1.938 123.246 121.300 0.013 0.000 2.318 35 W HA -0.148 4.649 4.660 0.228 0.000 0.313 35 W C -1.281 175.240 176.519 0.003 0.000 1.221 35 W CA 2.624 59.977 57.345 0.015 0.000 1.266 35 W CB -1.158 28.308 29.460 0.009 0.000 1.150 35 W HN 0.264 nan 8.180 nan 0.000 0.496 36 P HA -0.207 nan 4.420 nan 0.000 0.218 36 P C 1.175 178.314 177.300 -0.268 0.000 1.148 36 P CA 2.718 65.609 63.100 -0.348 0.000 0.822 36 P CB -0.399 31.244 31.700 -0.095 0.000 0.784 37 R N -0.719 119.701 120.500 -0.134 0.000 2.240 37 R HA 0.098 4.576 4.340 0.231 0.000 0.203 37 R C 2.174 178.412 176.300 -0.104 0.000 1.011 37 R CA 0.688 56.730 56.100 -0.097 0.000 1.007 37 R CB -0.316 29.961 30.300 -0.039 0.000 0.911 37 R HN 0.078 nan 8.270 nan 0.000 0.468 38 R N 0.808 121.232 120.500 -0.127 0.000 2.191 38 R HA 0.266 4.745 4.340 0.231 0.000 0.196 38 R C 0.010 176.236 176.300 -0.123 0.000 0.991 38 R CA 0.565 56.619 56.100 -0.077 0.000 1.075 38 R CB 0.318 30.621 30.300 0.005 0.000 1.040 38 R HN 0.202 nan 8.270 nan 0.000 0.526 39 A N 0.903 123.542 122.820 -0.302 0.000 2.511 39 A HA 0.338 4.797 4.320 0.231 0.000 0.242 39 A C 1.228 178.690 177.584 -0.203 0.000 1.069 39 A CA 0.661 52.520 52.037 -0.296 0.000 0.763 39 A CB 0.536 19.081 19.000 -0.759 0.000 1.001 39 A HN 0.515 nan 8.150 nan 0.000 0.498 40 A N 2.722 125.530 122.820 -0.020 0.000 1.908 40 A HA -0.089 4.370 4.320 0.231 0.000 0.218 40 A C 2.141 179.510 177.584 -0.359 0.000 1.181 40 A CA 1.998 54.060 52.037 0.043 0.000 0.627 40 A CB -1.006 18.247 19.000 0.421 0.000 0.818 40 A HN 1.553 nan 8.150 nan 0.000 0.445 41 V N -0.223 119.243 119.914 -0.746 0.000 2.469 41 V HA -0.205 4.054 4.120 0.231 0.000 0.251 41 V C 2.375 178.061 176.094 -0.680 0.000 1.064 41 V CA 2.425 63.939 62.300 -1.310 0.000 1.066 41 V CB -0.319 31.005 31.823 -0.832 0.000 0.667 41 V HN 0.351 nan 8.190 nan 0.000 0.461 42 V N 0.581 120.192 119.914 -0.503 0.000 2.346 42 V HA -0.104 4.155 4.120 0.231 0.000 0.244 42 V C 2.027 177.967 176.094 -0.256 0.000 1.037 42 V CA 2.206 64.278 62.300 -0.380 0.000 1.029 42 V CB -0.703 30.848 31.823 -0.453 0.000 0.663 42 V HN 0.621 nan 8.190 nan 0.000 0.454 43 N N -0.287 118.280 118.700 -0.220 0.000 2.299 43 N HA 0.049 4.927 4.740 0.231 0.000 0.187 43 N C 0.848 176.326 175.510 -0.054 0.000 1.099 43 N CA 0.285 53.263 53.050 -0.120 0.000 0.867 43 N CB 0.567 38.993 38.487 -0.101 0.000 0.974 43 N HN 0.219 nan 8.380 nan 0.000 0.477 44 K N 0.555 120.928 120.400 -0.044 0.000 3.413 44 K HA 0.322 4.781 4.320 0.231 0.000 0.180 44 K C 0.195 176.902 176.600 0.178 0.000 1.038 44 K CA -0.153 56.181 56.287 0.078 0.000 0.864 44 K CB 0.366 32.953 32.500 0.145 0.000 0.739 44 K HN -0.069 nan 8.250 nan 0.000 0.477 45 A N 0.850 123.686 122.820 0.027 0.000 2.024 45 A HA -0.157 4.302 4.320 0.231 0.000 0.220 45 A C 1.030 178.791 177.584 0.295 0.000 1.164 45 A CA 1.870 53.973 52.037 0.111 0.000 0.643 45 A CB -0.270 18.698 19.000 -0.052 0.000 0.806 45 A HN 0.444 nan 8.150 nan 0.000 0.451 46 D N -0.336 120.188 120.400 0.206 0.000 2.519 46 D HA 0.056 4.835 4.640 0.231 0.000 0.238 46 D C 0.933 177.379 176.300 0.244 0.000 1.192 46 D CA -0.327 53.796 54.000 0.205 0.000 0.835 46 D CB -0.510 40.367 40.800 0.127 0.000 0.975 46 D HN 0.312 nan 8.370 nan 0.000 0.490 47 I N 0.149 120.916 120.570 0.330 0.000 2.335 47 I HA -0.244 4.065 4.170 0.231 0.000 0.251 47 I C 1.857 178.193 176.117 0.365 0.000 1.129 47 I CA 0.728 62.214 61.300 0.311 0.000 1.402 47 I CB -0.132 38.060 38.000 0.319 0.000 1.069 47 I HN 0.132 nan 8.210 nan 0.000 0.424 48 L N 0.670 122.090 121.223 0.329 0.000 2.043 48 L HA -0.271 4.208 4.340 0.231 0.000 0.212 48 L C 1.780 178.856 176.870 0.344 0.000 1.075 48 L CA 2.060 57.073 54.840 0.288 0.000 0.752 48 L CB -1.155 41.020 42.059 0.194 0.000 0.891 48 L HN 0.283 nan 8.230 nan 0.000 0.432 49 D N -0.570 119.983 120.400 0.256 0.000 2.350 49 D HA -0.121 4.658 4.640 0.231 0.000 0.216 49 D C 1.912 178.334 176.300 0.205 0.000 0.968 49 D CA 0.467 54.590 54.000 0.204 0.000 0.894 49 D CB -0.072 40.812 40.800 0.140 0.000 0.909 49 D HN 0.424 nan 8.370 nan 0.000 0.520 50 E N -0.551 119.782 120.200 0.221 0.000 2.338 50 E HA -0.105 4.383 4.350 0.231 0.000 0.197 50 E C 1.462 178.036 176.600 -0.043 0.000 1.007 50 E CA 0.255 56.673 56.400 0.030 0.000 0.849 50 E CB -0.128 29.498 29.700 -0.124 0.000 0.774 50 E HN 0.569 nan 8.360 nan 0.000 0.506 51 W N 0.570 121.914 121.300 0.073 0.000 3.180 51 W HA 0.186 4.980 4.660 0.223 0.000 0.254 51 W C 1.837 178.413 176.519 0.095 0.000 1.318 51 W CA 0.207 57.609 57.345 0.095 0.000 1.608 51 W CB -0.127 29.364 29.460 0.051 0.000 1.124 51 W HN 0.045 nan 8.180 nan 0.000 0.694 52 A N 2.073 125.027 122.820 0.222 0.000 1.873 52 A HA -0.282 4.177 4.320 0.231 0.000 0.219 52 A C 0.771 178.442 177.584 0.143 0.000 1.269 52 A CA 2.538 54.667 52.037 0.153 0.000 0.671 52 A CB -1.055 18.003 19.000 0.097 0.000 0.842 52 A HN 0.298 nan 8.150 nan 0.000 0.460 53 D N -2.717 117.750 120.400 0.112 0.000 2.683 53 D HA 0.382 5.161 4.640 0.231 0.000 0.309 53 D C -0.363 176.001 176.300 0.107 0.000 1.238 53 D CA -0.552 53.505 54.000 0.096 0.000 0.936 53 D CB -0.607 40.219 40.800 0.042 0.000 1.001 53 D HN 0.455 nan 8.370 nan 0.000 0.505 54 Y N 1.243 121.569 120.300 0.043 0.000 2.702 54 Y HA 0.169 4.856 4.550 0.228 0.000 0.336 54 Y C -0.051 175.856 175.900 0.011 0.000 1.235 54 Y CA 0.310 58.434 58.100 0.039 0.000 1.492 54 Y CB 0.817 39.350 38.460 0.123 0.000 1.308 54 Y HN 0.160 nan 8.280 nan 0.000 0.589 55 D N 4.232 124.229 120.400 -0.672 0.000 2.446 55 D HA 0.129 4.908 4.640 0.231 0.000 0.251 55 D C 0.573 176.420 176.300 -0.755 0.000 1.137 55 D CA -0.213 53.471 54.000 -0.527 0.000 0.890 55 D CB 1.090 41.698 40.800 -0.320 0.000 1.071 55 D HN 0.781 nan 8.370 nan 0.000 0.528 56 T N 2.062 116.307 114.554 -0.515 0.000 2.869 56 T HA -0.141 4.347 4.350 0.231 0.000 0.270 56 T C 1.912 176.522 174.700 -0.148 0.000 1.082 56 T CA 0.525 62.493 62.100 -0.220 0.000 1.123 56 T CB 0.120 69.017 68.868 0.049 0.000 0.856 56 T HN 0.425 nan 8.240 nan 0.000 0.499 57 L N 0.828 121.954 121.223 -0.161 0.000 2.552 57 L HA 0.134 4.612 4.340 0.231 0.000 0.227 57 L C 0.433 177.237 176.870 -0.111 0.000 1.146 57 L CA 0.321 55.102 54.840 -0.100 0.000 0.858 57 L CB -0.242 41.767 42.059 -0.083 0.000 0.969 57 L HN 0.208 nan 8.230 nan 0.000 0.451 58 V N 1.585 121.393 119.914 -0.176 0.000 2.427 58 V HA 0.277 4.536 4.120 0.231 0.000 0.286 58 V C -1.848 174.161 176.094 -0.141 0.000 1.034 58 V CA -1.541 60.656 62.300 -0.172 0.000 0.893 58 V CB 1.477 33.157 31.823 -0.240 0.000 0.982 58 V HN 0.015 nan 8.190 nan 0.000 0.452 59 P HA 0.162 nan 4.420 nan 0.000 0.272 59 P C -0.287 176.972 177.300 -0.068 0.000 1.230 59 P CA -0.116 62.964 63.100 -0.033 0.000 0.788 59 P CB 1.123 32.821 31.700 -0.004 0.000 0.949 60 D N -1.026 119.398 120.400 0.039 0.000 2.305 60 D HA 0.033 4.812 4.640 0.231 0.000 0.206 60 D C 0.019 176.363 176.300 0.074 0.000 0.974 60 D CA 1.293 55.319 54.000 0.043 0.000 0.871 60 D CB -0.039 40.883 40.800 0.204 0.000 0.947 60 D HN 0.383 nan 8.370 nan 0.000 0.516 61 Y N -0.236 120.052 120.300 -0.021 0.000 2.544 61 Y HA 0.341 4.983 4.550 0.154 0.000 0.342 61 Y C -2.636 173.251 175.900 -0.022 0.000 1.062 61 Y CA -2.283 55.822 58.100 0.009 0.000 1.023 61 Y CB 2.403 40.937 38.460 0.123 0.000 1.308 61 Y HN -0.257 nan 8.280 nan 0.000 0.457 62 P HA 0.207 nan 4.420 nan 0.000 0.293 62 P C 0.304 177.573 177.300 -0.051 0.000 1.300 62 P CA -0.309 62.702 63.100 -0.149 0.000 0.792 62 P CB 1.596 33.147 31.700 -0.248 0.000 0.925 63 L N 3.377 124.613 121.223 0.022 0.000 2.079 63 L HA -0.181 4.298 4.340 0.231 0.000 0.210 63 L C 2.158 179.011 176.870 -0.028 0.000 1.081 63 L CA 1.833 56.699 54.840 0.044 0.000 0.752 63 L CB -0.798 41.313 42.059 0.088 0.000 0.896 63 L HN 0.468 nan 8.230 nan 0.000 0.433 64 E N -0.080 120.091 120.200 -0.049 0.000 2.267 64 E HA -0.231 4.258 4.350 0.231 0.000 0.197 64 E C 1.821 178.368 176.600 -0.088 0.000 0.998 64 E CA 1.504 57.868 56.400 -0.061 0.000 0.830 64 E CB -0.190 29.473 29.700 -0.062 0.000 0.751 64 E HN 0.776 nan 8.360 nan 0.000 0.491 65 I N -2.223 118.273 120.570 -0.125 0.000 3.976 65 I HA 0.214 4.523 4.170 0.231 0.000 0.337 65 I C -0.231 175.826 176.117 -0.101 0.000 1.359 65 I CA -0.485 60.736 61.300 -0.131 0.000 1.098 65 I CB 0.926 38.798 38.000 -0.214 0.000 1.027 65 I HN -0.264 nan 8.210 nan 0.000 0.394 66 V N 5.021 124.851 119.914 -0.141 0.000 2.408 66 V HA 0.222 4.481 4.120 0.231 0.000 0.267 66 V C -0.906 174.921 176.094 -0.446 0.000 1.047 66 V CA -0.906 61.183 62.300 -0.351 0.000 0.937 66 V CB 0.754 32.272 31.823 -0.508 0.000 0.999 66 V HN 0.188 nan 8.190 nan 0.000 0.472 67 P HA -0.124 nan 4.420 nan 0.000 0.220 67 P C 0.872 178.088 177.300 -0.139 0.000 1.148 67 P CA 1.372 64.357 63.100 -0.192 0.000 0.803 67 P CB 0.045 31.716 31.700 -0.047 0.000 0.782 68 F N -3.019 116.850 119.950 -0.136 0.000 2.639 68 F HA 0.709 5.375 4.527 0.232 0.000 0.302 68 F C 1.851 177.499 175.800 -0.252 0.000 1.097 68 F CA -0.712 57.202 58.000 -0.143 0.000 1.294 68 F CB -1.408 37.473 39.000 -0.198 0.000 1.027 68 F HN -0.187 nan 8.300 nan 0.000 0.550 69 A N 0.851 123.440 122.820 -0.385 0.000 1.958 69 A HA -0.252 4.207 4.320 0.231 0.000 0.221 69 A C 1.894 179.608 177.584 0.217 0.000 1.178 69 A CA 2.179 54.119 52.037 -0.161 0.000 0.642 69 A CB -0.645 18.297 19.000 -0.097 0.000 0.816 69 A HN 0.553 nan 8.150 nan 0.000 0.453 70 E N -1.443 118.856 120.200 0.166 0.000 2.558 70 E HA 0.080 4.569 4.350 0.231 0.000 0.205 70 E C -0.062 176.667 176.600 0.215 0.000 1.006 70 E CA -0.312 56.202 56.400 0.190 0.000 0.961 70 E CB 0.118 29.879 29.700 0.102 0.000 1.044 70 E HN 0.613 nan 8.360 nan 0.000 0.465 71 H N 0.670 119.858 119.070 0.196 0.000 2.929 71 H HA 0.033 4.727 4.556 0.230 0.000 0.317 71 H C -1.813 173.630 175.328 0.191 0.000 1.031 71 H CA -1.746 54.410 56.048 0.179 0.000 1.466 71 H CB 1.270 31.148 29.762 0.194 0.000 1.482 71 H HN -0.006 nan 8.280 nan 0.000 0.561 72 P HA -0.174 nan 4.420 nan 0.000 0.217 72 P C 1.787 179.260 177.300 0.289 0.000 1.151 72 P CA 1.142 64.379 63.100 0.228 0.000 0.849 72 P CB 0.244 32.009 31.700 0.109 0.000 0.787 73 L N -3.077 118.420 121.223 0.456 0.000 2.201 73 L HA -0.113 4.365 4.340 0.231 0.000 0.212 73 L C 2.301 179.257 176.870 0.144 0.000 1.105 73 L CA 1.103 56.053 54.840 0.184 0.000 0.775 73 L CB -0.581 41.490 42.059 0.020 0.000 0.913 73 L HN -0.027 nan 8.230 nan 0.000 0.440 74 F N 0.186 120.179 119.950 0.071 0.000 2.270 74 F HA -0.082 4.590 4.527 0.242 0.000 0.295 74 F C 2.168 178.024 175.800 0.093 0.000 1.087 74 F CA 0.974 59.024 58.000 0.084 0.000 1.365 74 F CB 0.183 39.317 39.000 0.223 0.000 1.056 74 F HN -0.142 nan 8.300 nan 0.000 0.506 75 L N -0.041 121.287 121.223 0.175 0.000 2.201 75 L HA -0.127 4.351 4.340 0.231 0.000 0.212 75 L C 2.643 179.498 176.870 -0.024 0.000 1.105 75 L CA 0.939 55.804 54.840 0.043 0.000 0.775 75 L CB -1.008 41.121 42.059 0.118 0.000 0.913 75 L HN 0.229 nan 8.230 nan 0.000 0.440 76 A N 0.230 123.055 122.820 0.008 0.000 2.066 76 A HA 0.155 4.614 4.320 0.231 0.000 0.218 76 A C 1.514 179.063 177.584 -0.059 0.000 1.157 76 A CA 0.800 52.831 52.037 -0.009 0.000 0.670 76 A CB -0.405 18.607 19.000 0.021 0.000 0.804 76 A HN 0.327 nan 8.150 nan 0.000 0.453 77 A N 0.154 122.902 122.820 -0.121 0.000 2.366 77 A HA 0.412 4.871 4.320 0.231 0.000 0.250 77 A C 0.202 177.679 177.584 -0.179 0.000 1.099 77 A CA -0.267 51.666 52.037 -0.173 0.000 0.794 77 A CB 0.114 18.952 19.000 -0.269 0.000 1.056 77 A HN 0.377 nan 8.150 nan 0.000 0.499 78 E N 0.164 120.241 120.200 -0.205 0.000 2.343 78 E HA 0.200 4.689 4.350 0.231 0.000 0.269 78 E C -1.703 174.766 176.600 -0.218 0.000 1.047 78 E CA -1.826 54.472 56.400 -0.170 0.000 0.874 78 E CB 0.346 29.967 29.700 -0.133 0.000 1.033 78 E HN 0.291 nan 8.360 nan 0.000 0.409 79 P HA -0.219 nan 4.420 nan 0.000 0.216 79 P C 1.044 178.318 177.300 -0.043 0.000 1.154 79 P CA 1.865 64.933 63.100 -0.054 0.000 0.865 79 P CB -0.051 31.663 31.700 0.022 0.000 0.789 80 H N -1.579 117.477 119.070 -0.024 0.000 2.457 80 H HA -0.005 4.690 4.556 0.232 0.000 0.294 80 H C 1.834 177.162 175.328 -0.000 0.000 1.064 80 H CA 0.864 56.910 56.048 -0.002 0.000 1.330 80 H CB -1.088 28.677 29.762 0.005 0.000 1.395 80 H HN 0.192 nan 8.280 nan 0.000 0.541 81 Q N 0.648 120.100 119.800 -0.581 0.000 2.083 81 Q HA -0.027 4.452 4.340 0.231 0.000 0.198 81 Q C 2.318 178.224 176.000 -0.156 0.000 0.969 81 Q CA 1.012 56.607 55.803 -0.346 0.000 0.838 81 Q CB 0.024 28.531 28.738 -0.384 0.000 0.900 81 Q HN 0.511 nan 8.270 nan 0.000 0.436 82 R N 0.285 120.652 120.500 -0.222 0.000 2.081 82 R HA -0.127 4.352 4.340 0.231 0.000 0.235 82 R C 2.303 178.649 176.300 0.077 0.000 1.131 82 R CA 1.010 57.009 56.100 -0.168 0.000 0.960 82 R CB -0.055 30.015 30.300 -0.384 0.000 0.856 82 R HN 0.250 nan 8.270 nan 0.000 0.436 83 Q N 0.486 120.314 119.800 0.047 0.000 2.135 83 Q HA -0.140 4.339 4.340 0.231 0.000 0.204 83 Q C 2.044 178.121 176.000 0.127 0.000 0.981 83 Q CA 1.476 57.341 55.803 0.104 0.000 0.856 83 Q CB -0.202 28.593 28.738 0.095 0.000 0.902 83 Q HN 0.361 nan 8.270 nan 0.000 0.425 84 R N -0.243 120.320 120.500 0.104 0.000 2.096 84 R HA -0.065 4.413 4.340 0.231 0.000 0.235 84 R C 2.380 178.756 176.300 0.126 0.000 1.127 84 R CA 1.146 57.313 56.100 0.112 0.000 0.968 84 R CB -0.327 30.026 30.300 0.089 0.000 0.861 84 R HN 0.077 nan 8.270 nan 0.000 0.440 85 V N 1.664 121.675 119.914 0.161 0.000 2.295 85 V HA -0.233 4.026 4.120 0.231 0.000 0.246 85 V C 2.365 178.553 176.094 0.157 0.000 1.049 85 V CA 1.636 64.062 62.300 0.209 0.000 1.024 85 V CB -0.451 31.624 31.823 0.419 0.000 0.648 85 V HN 0.264 nan 8.190 nan 0.000 0.447 86 L N -0.334 121.003 121.223 0.190 0.000 1.989 86 L HA -0.200 4.278 4.340 0.231 0.000 0.211 86 L C 2.688 179.647 176.870 0.148 0.000 1.071 86 L CA 2.151 57.084 54.840 0.154 0.000 0.749 86 L CB -1.113 41.088 42.059 0.236 0.000 0.890 86 L HN 0.339 nan 8.230 nan 0.000 0.431 87 T N -0.297 114.374 114.554 0.195 0.000 2.720 87 T HA -0.176 4.313 4.350 0.231 0.000 0.268 87 T C 1.799 176.625 174.700 0.210 0.000 1.037 87 T CA 1.466 63.718 62.100 0.253 0.000 1.144 87 T CB -0.663 68.338 68.868 0.221 0.000 0.864 87 T HN 0.595 nan 8.240 nan 0.000 0.444 88 G N 1.064 109.934 108.800 0.117 0.000 2.440 88 G HA2 -0.199 3.900 3.960 0.231 0.000 0.218 88 G HA3 -0.199 3.900 3.960 0.231 0.000 0.218 88 G C 1.558 176.459 174.900 0.001 0.000 1.154 88 G CA 0.752 45.889 45.100 0.061 0.000 0.767 88 G HN 0.427 nan 8.290 nan 0.000 0.552 89 M N -0.786 118.752 119.600 -0.103 0.000 2.175 89 M HA 0.042 4.661 4.480 0.231 0.000 0.264 89 M C 2.330 178.493 176.300 -0.229 0.000 1.063 89 M CA 0.982 56.087 55.300 -0.326 0.000 1.119 89 M CB -0.274 31.844 32.600 -0.803 0.000 1.377 89 M HN 0.535 nan 8.290 nan 0.000 0.415 90 W N 1.751 122.918 121.300 -0.221 0.000 2.354 90 W HA -0.203 4.583 4.660 0.211 0.000 0.315 90 W C 1.768 178.365 176.519 0.130 0.000 1.206 90 W CA 1.439 58.868 57.345 0.140 0.000 1.290 90 W CB -0.283 29.300 29.460 0.205 0.000 1.152 90 W HN 0.113 nan 8.180 nan 0.000 0.489 91 I N 1.357 121.882 120.570 -0.074 0.000 2.208 91 I HA -0.245 4.063 4.170 0.231 0.000 0.245 91 I C 2.788 178.790 176.117 -0.191 0.000 1.097 91 I CA 1.752 62.923 61.300 -0.214 0.000 1.363 91 I CB -1.295 36.674 38.000 -0.052 0.000 1.051 91 I HN 0.064 nan 8.210 nan 0.000 0.413 92 G N 0.052 108.797 108.800 -0.092 0.000 2.418 92 G HA2 -0.344 3.755 3.960 0.231 0.000 0.217 92 G HA3 -0.344 3.755 3.960 0.231 0.000 0.217 92 G C 1.635 176.483 174.900 -0.086 0.000 1.158 92 G CA 0.905 45.959 45.100 -0.075 0.000 0.771 92 G HN 0.424 nan 8.290 nan 0.000 0.545 93 Y N 2.020 122.235 120.300 -0.141 0.000 2.165 93 Y HA -0.146 4.430 4.550 0.044 0.000 0.286 93 Y C 2.602 178.369 175.900 -0.223 0.000 1.155 93 Y CA 2.057 60.088 58.100 -0.115 0.000 1.164 93 Y CB -0.344 38.131 38.460 0.024 0.000 0.978 93 Y HN 0.156 nan 8.280 nan 0.000 0.513 94 N N 0.518 118.891 118.700 -0.546 0.000 2.188 94 N HA -0.173 4.706 4.740 0.231 0.000 0.184 94 N C 1.640 176.897 175.510 -0.421 0.000 1.018 94 N CA 1.718 54.430 53.050 -0.564 0.000 0.858 94 N CB -0.238 37.962 38.487 -0.478 0.000 0.989 94 N HN 0.615 nan 8.380 nan 0.000 0.426 95 E N 0.831 120.846 120.200 -0.308 0.000 2.077 95 E HA -0.115 4.374 4.350 0.231 0.000 0.193 95 E C 2.101 178.564 176.600 -0.227 0.000 0.989 95 E CA 0.886 57.155 56.400 -0.218 0.000 0.800 95 E CB 0.006 29.614 29.700 -0.155 0.000 0.746 95 E HN 0.297 nan 8.360 nan 0.000 0.452 96 R N 0.333 120.678 120.500 -0.259 0.000 2.075 96 R HA -0.076 4.403 4.340 0.231 0.000 0.232 96 R C 2.472 178.609 176.300 -0.271 0.000 1.126 96 R CA 0.877 56.845 56.100 -0.219 0.000 0.963 96 R CB -0.315 29.885 30.300 -0.167 0.000 0.858 96 R HN 0.052 nan 8.270 nan 0.000 0.435 97 V N 1.687 121.318 119.914 -0.472 0.000 2.252 97 V HA -0.287 3.972 4.120 0.231 0.000 0.249 97 V C 2.283 178.218 176.094 -0.265 0.000 1.056 97 V CA 1.916 63.931 62.300 -0.475 0.000 1.022 97 V CB -0.392 30.878 31.823 -0.921 0.000 0.641 97 V HN 0.275 nan 8.190 nan 0.000 0.445 98 I N 0.233 120.651 120.570 -0.253 0.000 2.179 98 I HA -0.250 4.059 4.170 0.231 0.000 0.242 98 I C 2.669 178.727 176.117 -0.100 0.000 1.088 98 I CA 1.530 62.755 61.300 -0.125 0.000 1.357 98 I CB -0.645 37.292 38.000 -0.105 0.000 1.051 98 I HN 0.297 nan 8.210 nan 0.000 0.409 99 A N 0.387 123.129 122.820 -0.131 0.000 1.908 99 A HA -0.219 4.239 4.320 0.231 0.000 0.218 99 A C 2.391 179.910 177.584 -0.109 0.000 1.181 99 A CA 2.537 54.491 52.037 -0.139 0.000 0.627 99 A CB -1.153 17.755 19.000 -0.154 0.000 0.818 99 A HN 0.394 nan 8.150 nan 0.000 0.445 100 T N 0.135 114.650 114.554 -0.064 0.000 2.684 100 T HA -0.142 4.347 4.350 0.231 0.000 0.267 100 T C 1.825 176.554 174.700 0.048 0.000 1.036 100 T CA 1.530 63.642 62.100 0.021 0.000 1.148 100 T CB -0.290 68.608 68.868 0.050 0.000 0.863 100 T HN 0.538 nan 8.240 nan 0.000 0.436 101 E N 1.418 121.645 120.200 0.045 0.000 2.058 101 E HA -0.159 4.329 4.350 0.231 0.000 0.194 101 E C 2.391 179.022 176.600 0.053 0.000 0.997 101 E CA 1.250 57.703 56.400 0.089 0.000 0.801 101 E CB -0.295 29.476 29.700 0.118 0.000 0.746 101 E HN 0.616 nan 8.360 nan 0.000 0.450 102 Q N -0.167 119.635 119.800 0.004 0.000 2.137 102 Q HA 0.015 4.494 4.340 0.231 0.000 0.198 102 Q C 2.281 178.254 176.000 -0.044 0.000 0.960 102 Q CA 0.731 56.524 55.803 -0.017 0.000 0.847 102 Q CB 0.167 28.875 28.738 -0.050 0.000 0.915 102 Q HN 0.232 nan 8.270 nan 0.000 0.448 103 L N -0.971 120.199 121.223 -0.089 0.000 2.515 103 L HA 0.127 4.606 4.340 0.231 0.000 0.223 103 L C 1.620 178.516 176.870 0.044 0.000 1.079 103 L CA 0.313 55.065 54.840 -0.147 0.000 0.857 103 L CB 0.365 42.105 42.059 -0.532 0.000 1.050 103 L HN 0.149 nan 8.230 nan 0.000 0.476 104 I N -1.655 118.966 120.570 0.085 0.000 3.650 104 I HA 0.137 4.446 4.170 0.231 0.000 0.261 104 I C 2.368 178.534 176.117 0.082 0.000 1.154 104 I CA 0.689 62.096 61.300 0.178 0.000 1.418 104 I CB -0.101 38.099 38.000 0.333 0.000 1.539 104 I HN -0.030 nan 8.210 nan 0.000 0.449 105 A N 0.987 123.823 122.820 0.026 0.000 1.840 105 A HA -0.133 4.326 4.320 0.231 0.000 0.214 105 A C 2.094 179.548 177.584 -0.217 0.000 1.198 105 A CA 1.558 53.509 52.037 -0.144 0.000 0.608 105 A CB -0.625 18.350 19.000 -0.042 0.000 0.839 105 A HN 0.376 nan 8.150 nan 0.000 0.443 106 E N -0.349 119.855 120.200 0.007 0.000 2.085 106 E HA -0.152 4.336 4.350 0.231 0.000 0.194 106 E C -0.568 176.084 176.600 0.086 0.000 0.994 106 E CA 1.507 57.976 56.400 0.116 0.000 0.801 106 E CB -0.992 28.787 29.700 0.131 0.000 0.743 106 E HN 0.457 nan 8.360 nan 0.000 0.453 107 P HA -0.186 nan 4.420 nan 0.000 0.218 107 P C 0.994 178.326 177.300 0.054 0.000 1.148 107 P CA 1.785 64.911 63.100 0.044 0.000 0.822 107 P CB 0.022 31.746 31.700 0.041 0.000 0.784 108 A N -1.209 121.615 122.820 0.008 0.000 1.873 108 A HA -0.183 4.276 4.320 0.231 0.000 0.215 108 A C 1.904 179.557 177.584 0.115 0.000 1.186 108 A CA 1.380 53.429 52.037 0.020 0.000 0.616 108 A CB -1.746 17.183 19.000 -0.118 0.000 0.823 108 A HN 0.027 nan 8.150 nan 0.000 0.442 109 F N 1.024 121.023 119.950 0.082 0.000 2.126 109 F HA -0.170 4.496 4.527 0.231 0.000 0.299 109 F C 2.072 177.925 175.800 0.088 0.000 1.096 109 F CA 1.335 59.370 58.000 0.060 0.000 1.255 109 F CB -0.992 38.014 39.000 0.010 0.000 0.997 109 F HN 0.234 nan 8.300 nan 0.000 0.479 110 D N 0.066 120.630 120.400 0.274 0.000 2.149 110 D HA -0.155 4.624 4.640 0.231 0.000 0.198 110 D C 2.591 179.018 176.300 0.211 0.000 0.990 110 D CA 0.882 55.012 54.000 0.217 0.000 0.839 110 D CB -0.524 40.341 40.800 0.108 0.000 0.948 110 D HN 0.222 nan 8.370 nan 0.000 0.460 111 L N 0.248 121.562 121.223 0.152 0.000 2.046 111 L HA -0.150 4.328 4.340 0.231 0.000 0.208 111 L C 2.475 179.490 176.870 0.242 0.000 1.077 111 L CA 0.639 55.556 54.840 0.128 0.000 0.747 111 L CB -0.288 41.886 42.059 0.192 0.000 0.896 111 L HN -0.028 nan 8.230 nan 0.000 0.432 112 V N -0.487 119.637 119.914 0.350 0.000 2.287 112 V HA -0.330 3.928 4.120 0.231 0.000 0.248 112 V C 2.561 178.788 176.094 0.222 0.000 1.053 112 V CA 1.607 64.113 62.300 0.343 0.000 1.027 112 V CB -0.444 31.558 31.823 0.297 0.000 0.646 112 V HN 0.393 nan 8.190 nan 0.000 0.447 113 M N -0.789 118.932 119.600 0.201 0.000 2.229 113 M HA -0.113 4.505 4.480 0.231 0.000 0.264 113 M C 2.015 178.367 176.300 0.086 0.000 1.063 113 M CA 1.589 56.961 55.300 0.120 0.000 1.114 113 M CB -1.461 31.202 32.600 0.105 0.000 1.387 113 M HN 0.420 nan 8.290 nan 0.000 0.420 114 H N 0.042 119.130 119.070 0.030 0.000 2.546 114 H HA 0.190 4.885 4.556 0.231 0.000 0.277 114 H C 1.376 176.693 175.328 -0.018 0.000 1.004 114 H CA 0.955 57.002 56.048 -0.002 0.000 1.231 114 H CB -0.305 29.446 29.762 -0.018 0.000 1.382 114 H HN 0.586 nan 8.280 nan 0.000 0.580 115 G N -0.009 108.846 108.800 0.091 0.000 2.147 115 G HA2 -0.298 3.801 3.960 0.231 0.000 0.244 115 G HA3 -0.298 3.801 3.960 0.231 0.000 0.244 115 G C 1.210 176.107 174.900 -0.005 0.000 1.005 115 G CA 0.554 45.684 45.100 0.049 0.000 0.713 115 G HN 0.422 nan 8.290 nan 0.000 0.515 116 V N -0.821 119.025 119.914 -0.113 0.000 2.970 116 V HA 0.342 4.601 4.120 0.231 0.000 0.260 116 V C 0.839 176.692 176.094 -0.402 0.000 1.100 116 V CA 1.208 63.322 62.300 -0.311 0.000 1.122 116 V CB -0.390 31.141 31.823 -0.488 0.000 0.721 116 V HN 0.324 nan 8.190 nan 0.000 0.483 117 F N 1.545 121.543 119.950 0.079 0.000 2.480 117 F HA 0.551 5.216 4.527 0.231 0.000 0.329 117 F C -2.038 173.790 175.800 0.047 0.000 1.091 117 F CA -3.483 54.559 58.000 0.070 0.000 0.972 117 F CB 0.641 39.691 39.000 0.084 0.000 1.150 117 F HN -0.115 nan 8.300 nan 0.000 0.467 118 P HA 0.161 nan 4.420 nan 0.000 0.267 118 P C 0.708 178.076 177.300 0.114 0.000 1.205 118 P CA 0.741 63.909 63.100 0.114 0.000 0.765 118 P CB 0.852 32.593 31.700 0.068 0.000 0.828 119 G N 2.906 111.756 108.800 0.083 0.000 2.213 119 G HA2 -0.313 3.786 3.960 0.231 0.000 0.236 119 G HA3 -0.313 3.786 3.960 0.231 0.000 0.236 119 G C 1.045 175.994 174.900 0.082 0.000 0.991 119 G CA 0.419 45.561 45.100 0.070 0.000 0.629 119 G HN 0.629 nan 8.290 nan 0.000 0.517 120 S N 1.066 116.837 115.700 0.118 0.000 2.561 120 S HA 0.064 4.672 4.470 0.231 0.000 0.225 120 S C 1.567 176.213 174.600 0.077 0.000 0.977 120 S CA 1.326 59.601 58.200 0.125 0.000 0.926 120 S CB -0.103 63.224 63.200 0.211 0.000 0.769 120 S HN 0.704 nan 8.310 nan 0.000 0.533 121 D N 1.228 121.660 120.400 0.054 0.000 2.336 121 D HA 0.010 4.789 4.640 0.231 0.000 0.229 121 D C -0.039 176.271 176.300 0.017 0.000 1.061 121 D CA -0.179 53.838 54.000 0.028 0.000 0.875 121 D CB -0.731 40.080 40.800 0.019 0.000 0.904 121 D HN 0.484 nan 8.370 nan 0.000 0.525 122 D N 0.913 121.326 120.400 0.022 0.000 2.383 122 D HA 0.059 4.838 4.640 0.231 0.000 0.252 122 D C -1.484 174.817 176.300 0.000 0.000 1.166 122 D CA -1.560 52.447 54.000 0.012 0.000 0.879 122 D CB 1.581 42.392 40.800 0.018 0.000 1.164 122 D HN -0.203 nan 8.370 nan 0.000 0.462 123 P HA -0.187 nan 4.420 nan 0.000 0.216 123 P C 1.270 178.554 177.300 -0.026 0.000 1.154 123 P CA 0.548 63.637 63.100 -0.018 0.000 0.865 123 P CB 0.123 31.814 31.700 -0.015 0.000 0.789 124 L N -1.117 120.095 121.223 -0.018 0.000 2.056 124 L HA -0.083 4.396 4.340 0.231 0.000 0.207 124 L C 2.253 179.104 176.870 -0.031 0.000 1.078 124 L CA 1.558 56.384 54.840 -0.023 0.000 0.749 124 L CB -1.103 40.951 42.059 -0.009 0.000 0.901 124 L HN -0.115 nan 8.230 nan 0.000 0.433 125 I N -0.838 119.723 120.570 -0.015 0.000 2.163 125 I HA -0.352 3.957 4.170 0.231 0.000 0.243 125 I C 2.600 178.694 176.117 -0.039 0.000 1.085 125 I CA 1.327 62.620 61.300 -0.012 0.000 1.347 125 I CB -0.295 37.717 38.000 0.020 0.000 1.044 125 I HN 0.248 nan 8.210 nan 0.000 0.408 126 R N 0.703 121.181 120.500 -0.036 0.000 2.081 126 R HA -0.181 4.298 4.340 0.231 0.000 0.235 126 R C 2.311 178.544 176.300 -0.112 0.000 1.131 126 R CA 1.392 57.457 56.100 -0.058 0.000 0.960 126 R CB -0.220 30.055 30.300 -0.042 0.000 0.856 126 R HN 0.312 nan 8.270 nan 0.000 0.436 127 K N 0.140 120.472 120.400 -0.114 0.000 2.025 127 K HA -0.108 4.351 4.320 0.231 0.000 0.207 127 K C 2.345 178.802 176.600 -0.238 0.000 1.049 127 K CA 1.813 58.000 56.287 -0.167 0.000 0.933 127 K CB -0.061 32.364 32.500 -0.125 0.000 0.714 127 K HN 0.181 nan 8.250 nan 0.000 0.438 128 S N 0.275 115.864 115.700 -0.184 0.000 2.368 128 S HA -0.098 4.511 4.470 0.231 0.000 0.224 128 S C 2.118 176.527 174.600 -0.319 0.000 1.029 128 S CA 1.133 59.206 58.200 -0.211 0.000 0.988 128 S CB -0.500 62.634 63.200 -0.111 0.000 0.838 128 S HN 0.018 nan 8.310 nan 0.000 0.462 129 V N 1.750 121.487 119.914 -0.294 0.000 2.453 129 V HA -0.078 4.181 4.120 0.231 0.000 0.247 129 V C 2.934 178.747 176.094 -0.468 0.000 1.048 129 V CA 1.919 63.957 62.300 -0.437 0.000 1.049 129 V CB -0.940 30.749 31.823 -0.223 0.000 0.672 129 V HN 0.461 nan 8.190 nan 0.000 0.457 130 Q N 0.309 119.912 119.800 -0.328 0.000 2.079 130 Q HA -0.212 4.267 4.340 0.231 0.000 0.200 130 Q C 2.208 177.959 176.000 -0.415 0.000 0.974 130 Q CA 1.814 57.438 55.803 -0.299 0.000 0.840 130 Q CB -0.345 28.257 28.738 -0.227 0.000 0.898 130 Q HN 0.678 nan 8.270 nan 0.000 0.430 131 Q N -0.643 118.796 119.800 -0.602 0.000 2.077 131 Q HA -0.191 4.288 4.340 0.231 0.000 0.206 131 Q C 2.050 177.738 176.000 -0.521 0.000 0.989 131 Q CA 1.664 56.900 55.803 -0.946 0.000 0.853 131 Q CB -0.389 27.495 28.738 -1.424 0.000 0.907 131 Q HN 0.523 nan 8.270 nan 0.000 0.418 132 A N 0.683 123.185 122.820 -0.531 0.000 1.940 132 A HA -0.201 4.258 4.320 0.231 0.000 0.219 132 A C 2.016 179.337 177.584 -0.438 0.000 1.176 132 A CA 1.317 52.968 52.037 -0.644 0.000 0.631 132 A CB -0.657 17.540 19.000 -1.338 0.000 0.814 132 A HN 0.344 nan 8.150 nan 0.000 0.446 133 I N -0.623 119.718 120.570 -0.382 0.000 2.315 133 I HA -0.194 4.115 4.170 0.231 0.000 0.248 133 I C 2.307 178.404 176.117 -0.034 0.000 1.117 133 I CA 0.919 62.147 61.300 -0.121 0.000 1.404 133 I CB -0.205 37.750 38.000 -0.075 0.000 1.071 133 I HN 0.160 nan 8.210 nan 0.000 0.419 134 V N 0.764 120.649 119.914 -0.048 0.000 2.295 134 V HA -0.303 3.956 4.120 0.231 0.000 0.246 134 V C 2.076 178.243 176.094 0.121 0.000 1.049 134 V CA 1.991 64.331 62.300 0.066 0.000 1.024 134 V CB -0.698 31.214 31.823 0.149 0.000 0.648 134 V HN 0.404 nan 8.190 nan 0.000 0.447 135 D N -0.123 120.355 120.400 0.131 0.000 2.104 135 D HA -0.156 4.623 4.640 0.231 0.000 0.194 135 D C 2.246 178.335 176.300 -0.352 0.000 0.994 135 D CA 1.244 55.257 54.000 0.022 0.000 0.830 135 D CB -0.283 40.674 40.800 0.263 0.000 0.959 135 D HN 0.431 nan 8.370 nan 0.000 0.452 136 E N 0.710 120.844 120.200 -0.110 0.000 2.110 136 E HA -0.092 4.397 4.350 0.231 0.000 0.193 136 E C 2.226 178.858 176.600 0.053 0.000 0.988 136 E CA 0.485 56.887 56.400 0.004 0.000 0.804 136 E CB -0.432 29.387 29.700 0.199 0.000 0.745 136 E HN 0.133 nan 8.360 nan 0.000 0.458 137 S N 0.743 116.490 115.700 0.079 0.000 2.370 137 S HA -0.146 4.463 4.470 0.231 0.000 0.226 137 S C 1.649 176.361 174.600 0.187 0.000 1.033 137 S CA 1.092 59.365 58.200 0.121 0.000 1.011 137 S CB -0.353 62.913 63.200 0.110 0.000 0.852 137 S HN 0.279 nan 8.310 nan 0.000 0.457 138 F N 1.889 121.862 119.950 0.038 0.000 2.206 138 F HA -0.026 4.641 4.527 0.235 0.000 0.298 138 F C 2.058 178.006 175.800 0.248 0.000 1.090 138 F CA 1.293 59.372 58.000 0.132 0.000 1.323 138 F CB -0.565 38.490 39.000 0.092 0.000 1.028 138 F HN 0.329 nan 8.300 nan 0.000 0.492 139 H N -1.259 117.857 119.070 0.077 0.000 2.319 139 H HA -0.175 4.524 4.556 0.238 0.000 0.299 139 H C 2.114 177.471 175.328 0.049 0.000 1.092 139 H CA 1.548 57.549 56.048 -0.078 0.000 1.302 139 H CB -0.548 29.053 29.762 -0.268 0.000 1.373 139 H HN 0.190 nan 8.280 nan 0.000 0.497 140 T N 0.555 115.225 114.554 0.194 0.000 2.684 140 T HA -0.258 4.231 4.350 0.231 0.000 0.267 140 T C 1.708 176.464 174.700 0.093 0.000 1.036 140 T CA 1.612 63.794 62.100 0.136 0.000 1.148 140 T CB -0.594 68.339 68.868 0.109 0.000 0.863 140 T HN 0.369 nan 8.240 nan 0.000 0.436 141 Y N 1.570 121.830 120.300 -0.067 0.000 2.097 141 Y HA -0.186 4.504 4.550 0.233 0.000 0.282 141 Y C 2.370 178.146 175.900 -0.207 0.000 1.152 141 Y CA 1.403 59.423 58.100 -0.133 0.000 1.136 141 Y CB -0.480 37.894 38.460 -0.144 0.000 0.975 141 Y HN 0.127 nan 8.280 nan 0.000 0.498 142 M N -0.947 118.393 119.600 -0.433 0.000 2.080 142 M HA -0.285 4.334 4.480 0.231 0.000 0.260 142 M C 2.186 178.272 176.300 -0.356 0.000 1.068 142 M CA 1.891 56.897 55.300 -0.490 0.000 1.109 142 M CB -0.693 31.615 32.600 -0.487 0.000 1.342 142 M HN 0.402 nan 8.290 nan 0.000 0.405 143 H N -0.738 118.246 119.070 -0.144 0.000 2.423 143 H HA -0.096 4.602 4.556 0.237 0.000 0.297 143 H C 2.027 177.245 175.328 -0.183 0.000 1.075 143 H CA 1.474 57.440 56.048 -0.138 0.000 1.342 143 H CB -0.300 29.381 29.762 -0.135 0.000 1.395 143 H HN 0.468 nan 8.280 nan 0.000 0.530 144 M N 0.569 120.114 119.600 -0.092 0.000 2.099 144 M HA -0.134 4.485 4.480 0.231 0.000 0.262 144 M C 2.040 178.209 176.300 -0.218 0.000 1.067 144 M CA 1.265 56.483 55.300 -0.135 0.000 1.124 144 M CB -0.092 32.447 32.600 -0.101 0.000 1.353 144 M HN 0.154 nan 8.290 nan 0.000 0.410 145 L N 0.352 121.370 121.223 -0.341 0.000 2.012 145 L HA -0.217 4.262 4.340 0.231 0.000 0.210 145 L C 2.796 179.430 176.870 -0.393 0.000 1.073 145 L CA 1.515 56.092 54.840 -0.438 0.000 0.748 145 L CB -1.051 40.677 42.059 -0.552 0.000 0.891 145 L HN 0.447 nan 8.230 nan 0.000 0.431 146 A N 0.213 122.944 122.820 -0.148 0.000 1.908 146 A HA -0.219 4.240 4.320 0.231 0.000 0.218 146 A C 2.157 179.758 177.584 0.028 0.000 1.181 146 A CA 1.708 53.826 52.037 0.135 0.000 0.627 146 A CB -0.647 18.492 19.000 0.231 0.000 0.818 146 A HN 0.383 nan 8.150 nan 0.000 0.445 147 I N -0.261 120.241 120.570 -0.113 0.000 2.202 147 I HA -0.223 4.086 4.170 0.231 0.000 0.242 147 I C 1.946 178.002 176.117 -0.102 0.000 1.091 147 I CA 1.525 62.757 61.300 -0.114 0.000 1.368 147 I CB -0.474 37.442 38.000 -0.140 0.000 1.058 147 I HN 0.254 nan 8.210 nan 0.000 0.410 148 D N 0.632 120.933 120.400 -0.165 0.000 2.117 148 D HA -0.134 4.645 4.640 0.231 0.000 0.197 148 D C 2.337 178.504 176.300 -0.222 0.000 0.987 148 D CA 1.009 54.902 54.000 -0.178 0.000 0.829 148 D CB -0.278 40.404 40.800 -0.197 0.000 0.961 148 D HN 0.167 nan 8.370 nan 0.000 0.460 149 R N 0.371 120.650 120.500 -0.370 0.000 2.096 149 R HA -0.016 4.463 4.340 0.231 0.000 0.235 149 R C 2.310 178.489 176.300 -0.202 0.000 1.127 149 R CA 0.840 56.641 56.100 -0.499 0.000 0.968 149 R CB -1.355 28.178 30.300 -1.278 0.000 0.861 149 R HN 0.221 nan 8.270 nan 0.000 0.440 150 T N 1.118 115.684 114.554 0.020 0.000 2.737 150 T HA -0.069 4.420 4.350 0.231 0.000 0.265 150 T C 1.958 176.714 174.700 0.092 0.000 1.038 150 T CA 1.174 63.393 62.100 0.199 0.000 1.144 150 T CB -0.075 69.037 68.868 0.407 0.000 0.866 150 T HN 0.280 nan 8.240 nan 0.000 0.434 151 R N 0.732 121.250 120.500 0.030 0.000 2.081 151 R HA -0.076 4.402 4.340 0.231 0.000 0.235 151 R C 2.601 178.893 176.300 -0.013 0.000 1.131 151 R CA 1.465 57.572 56.100 0.012 0.000 0.960 151 R CB -0.204 30.085 30.300 -0.017 0.000 0.856 151 R HN 0.559 nan 8.270 nan 0.000 0.436 152 E N 1.072 121.236 120.200 -0.060 0.000 2.028 152 E HA -0.177 4.312 4.350 0.231 0.000 0.191 152 E C 1.929 178.490 176.600 -0.065 0.000 0.988 152 E CA 1.027 57.384 56.400 -0.073 0.000 0.799 152 E CB 0.003 29.634 29.700 -0.116 0.000 0.755 152 E HN 0.257 nan 8.360 nan 0.000 0.447 153 L N 0.192 121.349 121.223 -0.109 0.000 2.156 153 L HA -0.056 4.423 4.340 0.231 0.000 0.208 153 L C 2.446 179.334 176.870 0.031 0.000 1.095 153 L CA 0.565 55.325 54.840 -0.133 0.000 0.770 153 L CB -0.193 41.569 42.059 -0.495 0.000 0.914 153 L HN 0.021 nan 8.230 nan 0.000 0.439 154 R N 0.818 121.363 120.500 0.075 0.000 2.310 154 R HA 0.045 4.523 4.340 0.231 0.000 0.202 154 R C 0.190 176.538 176.300 0.079 0.000 0.933 154 R CA -0.005 56.166 56.100 0.119 0.000 1.054 154 R CB -0.258 30.136 30.300 0.157 0.000 0.985 154 R HN 0.283 nan 8.270 nan 0.000 0.489 155 K N 0.767 121.195 120.400 0.046 0.000 3.150 155 K HA -0.159 4.300 4.320 0.231 0.000 0.267 155 K C -0.533 176.088 176.600 0.034 0.000 1.028 155 K CA 0.482 56.788 56.287 0.031 0.000 0.753 155 K CB -1.775 30.745 32.500 0.033 0.000 1.288 155 K HN 0.220 nan 8.250 nan 0.000 0.473 156 I N 1.640 122.231 120.570 0.035 0.000 2.269 156 I HA -0.026 4.283 4.170 0.231 0.000 0.293 156 I C 1.730 177.856 176.117 0.015 0.000 1.106 156 I CA -0.125 61.195 61.300 0.034 0.000 1.248 156 I CB 1.021 39.048 38.000 0.045 0.000 1.444 156 I HN 0.342 nan 8.210 nan 0.000 0.497 157 S N 3.899 119.607 115.700 0.012 0.000 2.357 157 S HA 0.040 4.649 4.470 0.231 0.000 0.221 157 S C 0.697 175.297 174.600 0.000 0.000 1.031 157 S CA 0.496 58.698 58.200 0.003 0.000 0.982 157 S CB 0.140 63.343 63.200 0.005 0.000 0.853 157 S HN 0.674 nan 8.310 nan 0.000 0.458 158 E N 0.088 120.291 120.200 0.004 0.000 2.369 158 E HA 0.659 5.148 4.350 0.231 0.000 0.270 158 E C -1.139 175.463 176.600 0.003 0.000 0.909 158 E CA -0.903 55.498 56.400 0.000 0.000 0.775 158 E CB 2.033 31.733 29.700 -0.000 0.000 1.270 158 E HN 0.329 nan 8.360 nan 0.000 0.445 159 R N 3.224 123.722 120.500 -0.003 0.000 2.522 159 R HA 0.321 4.800 4.340 0.231 0.000 0.273 159 R C -2.812 173.482 176.300 -0.010 0.000 1.133 159 R CA -1.420 54.678 56.100 -0.004 0.000 0.969 159 R CB 1.216 31.513 30.300 -0.005 0.000 1.235 159 R HN 0.298 nan 8.270 nan 0.000 0.433 160 P HA 0.090 nan 4.420 nan 0.000 0.261 160 P C -2.528 174.762 177.300 -0.017 0.000 1.173 160 P CA -0.688 62.406 63.100 -0.011 0.000 0.760 160 P CB 0.185 31.879 31.700 -0.010 0.000 0.783 161 P HA 0.024 nan 4.420 nan 0.000 0.264 161 P C -0.154 177.132 177.300 -0.023 0.000 1.229 161 P CA 0.222 63.308 63.100 -0.023 0.000 0.780 161 P CB 0.255 31.943 31.700 -0.020 0.000 0.808 162 Q N 4.298 124.081 119.800 -0.029 0.000 2.443 162 Q HA 0.261 4.740 4.340 0.231 0.000 0.232 162 Q C -1.623 174.362 176.000 -0.024 0.000 1.026 162 Q CA -1.264 54.522 55.803 -0.028 0.000 0.924 162 Q CB -0.445 28.271 28.738 -0.037 0.000 1.256 162 Q HN 0.420 nan 8.270 nan 0.000 0.519 163 P HA 0.081 nan 4.420 nan 0.000 0.274 163 P C -0.437 176.857 177.300 -0.009 0.000 1.237 163 P CA -0.320 62.773 63.100 -0.011 0.000 0.793 163 P CB 0.653 32.349 31.700 -0.007 0.000 0.977 164 E N 0.939 121.143 120.200 0.006 0.000 2.442 164 E HA 0.031 4.520 4.350 0.231 0.000 0.262 164 E C -0.219 176.399 176.600 0.030 0.000 1.004 164 E CA -0.326 56.092 56.400 0.030 0.000 0.928 164 E CB 0.219 29.958 29.700 0.066 0.000 0.937 164 E HN 0.324 nan 8.360 nan 0.000 0.446 165 L N 5.205 126.449 121.223 0.036 0.000 2.540 165 L HA -0.092 4.386 4.340 0.231 0.000 0.276 165 L C 1.649 178.545 176.870 0.043 0.000 1.212 165 L CA -0.165 54.692 54.840 0.028 0.000 0.893 165 L CB 0.672 42.748 42.059 0.028 0.000 1.138 165 L HN 0.647 nan 8.230 nan 0.000 0.491 166 V N 3.360 123.277 119.914 0.004 0.000 2.392 166 V HA -0.303 3.955 4.120 0.231 0.000 0.249 166 V C 2.367 178.456 176.094 -0.009 0.000 1.059 166 V CA 2.688 64.986 62.300 -0.003 0.000 1.051 166 V CB -0.256 31.560 31.823 -0.011 0.000 0.658 166 V HN 1.140 nan 8.190 nan 0.000 0.455 167 T N -2.644 111.867 114.554 -0.071 0.000 2.777 167 T HA -0.288 4.201 4.350 0.231 0.000 0.266 167 T C 1.856 176.654 174.700 0.162 0.000 1.040 167 T CA 2.057 64.096 62.100 -0.103 0.000 1.141 167 T CB -0.762 67.774 68.868 -0.553 0.000 0.868 167 T HN 0.640 nan 8.240 nan 0.000 0.444 168 Y N 2.081 122.368 120.300 -0.022 0.000 2.263 168 Y HA 0.081 4.768 4.550 0.229 0.000 0.292 168 Y C 2.920 178.758 175.900 -0.103 0.000 1.130 168 Y CA 1.120 59.183 58.100 -0.062 0.000 1.179 168 Y CB -0.113 38.313 38.460 -0.056 0.000 0.998 168 Y HN 0.088 nan 8.280 nan 0.000 0.532 169 R N 0.374 120.842 120.500 -0.053 0.000 2.091 169 R HA -0.179 4.299 4.340 0.231 0.000 0.238 169 R C 2.198 178.397 176.300 -0.170 0.000 1.136 169 R CA 1.611 57.634 56.100 -0.128 0.000 0.959 169 R CB -0.132 30.148 30.300 -0.033 0.000 0.856 169 R HN 0.178 nan 8.270 nan 0.000 0.437 170 R N 0.770 121.228 120.500 -0.070 0.000 2.073 170 R HA -0.129 4.349 4.340 0.231 0.000 0.234 170 R C 2.369 178.501 176.300 -0.279 0.000 1.134 170 R CA 1.211 57.306 56.100 -0.008 0.000 0.952 170 R CB -1.082 29.378 30.300 0.266 0.000 0.850 170 R HN 0.375 nan 8.270 nan 0.000 0.433 171 L N 0.945 121.799 121.223 -0.615 0.000 1.989 171 L HA -0.212 4.267 4.340 0.231 0.000 0.211 171 L C 2.604 178.999 176.870 -0.792 0.000 1.071 171 L CA 1.686 55.760 54.840 -1.277 0.000 0.749 171 L CB -0.206 41.060 42.059 -1.321 0.000 0.890 171 L HN 0.185 nan 8.230 nan 0.000 0.431 172 R N -0.804 119.273 120.500 -0.705 0.000 2.120 172 R HA -0.211 4.268 4.340 0.231 0.000 0.234 172 R C 2.329 178.418 176.300 -0.351 0.000 1.123 172 R CA 1.461 57.233 56.100 -0.547 0.000 0.975 172 R CB -0.250 29.687 30.300 -0.606 0.000 0.866 172 R HN 0.360 nan 8.270 nan 0.000 0.446 173 R N 0.553 120.874 120.500 -0.299 0.000 2.090 173 R HA -0.065 4.414 4.340 0.231 0.000 0.228 173 R C 1.949 178.143 176.300 -0.177 0.000 1.110 173 R CA 0.913 56.898 56.100 -0.191 0.000 0.973 173 R CB -0.052 30.169 30.300 -0.131 0.000 0.869 173 R HN -0.010 nan 8.270 nan 0.000 0.440 174 V N 1.183 120.960 119.914 -0.229 0.000 2.295 174 V HA -0.237 4.022 4.120 0.231 0.000 0.246 174 V C 2.231 178.209 176.094 -0.192 0.000 1.049 174 V CA 1.734 63.922 62.300 -0.188 0.000 1.024 174 V CB -0.344 31.336 31.823 -0.238 0.000 0.648 174 V HN 0.347 nan 8.190 nan 0.000 0.447 175 L N -0.102 120.968 121.223 -0.255 0.000 2.217 175 L HA -0.050 4.429 4.340 0.231 0.000 0.211 175 L C 2.681 179.450 176.870 -0.167 0.000 1.107 175 L CA 1.014 55.726 54.840 -0.214 0.000 0.783 175 L CB -0.764 41.148 42.059 -0.245 0.000 0.919 175 L HN 0.340 nan 8.230 nan 0.000 0.442 176 A N 0.041 122.764 122.820 -0.161 0.000 1.917 176 A HA -0.264 4.195 4.320 0.231 0.000 0.219 176 A C 1.432 178.955 177.584 -0.101 0.000 1.182 176 A CA 2.309 54.270 52.037 -0.127 0.000 0.633 176 A CB -0.447 18.483 19.000 -0.118 0.000 0.819 176 A HN 0.377 nan 8.150 nan 0.000 0.448 177 D N -1.487 118.856 120.400 -0.096 0.000 2.501 177 D HA 0.286 5.064 4.640 0.231 0.000 0.226 177 D C -0.160 176.087 176.300 -0.089 0.000 1.198 177 D CA -0.073 53.879 54.000 -0.079 0.000 0.830 177 D CB 0.119 40.882 40.800 -0.063 0.000 1.014 177 D HN 0.310 nan 8.370 nan 0.000 0.496 178 M N 0.855 120.387 119.600 -0.113 0.000 2.135 178 M HA 0.190 4.809 4.480 0.231 0.000 0.345 178 M C -1.498 174.716 176.300 -0.143 0.000 1.340 178 M CA -1.761 53.454 55.300 -0.141 0.000 1.162 178 M CB 1.370 33.866 32.600 -0.174 0.000 1.570 178 M HN -0.122 nan 8.290 nan 0.000 0.454 179 P HA -0.121 nan 4.420 nan 0.000 0.215 179 P C -0.710 176.513 177.300 -0.127 0.000 1.153 179 P CA 1.295 64.333 63.100 -0.103 0.000 0.853 179 P CB 0.269 31.924 31.700 -0.074 0.000 0.788 180 E N -1.224 118.840 120.200 -0.228 0.000 2.166 180 E HA 0.136 4.624 4.350 0.231 0.000 0.275 180 E C 0.671 177.082 176.600 -0.315 0.000 0.941 180 E CA -0.441 55.796 56.400 -0.271 0.000 0.784 180 E CB 1.168 30.604 29.700 -0.439 0.000 1.115 180 E HN -0.114 nan 8.360 nan 0.000 0.399 181 Q N 4.222 123.940 119.800 -0.138 0.000 2.096 181 Q HA -0.182 4.297 4.340 0.231 0.000 0.204 181 Q C 1.552 177.515 176.000 -0.062 0.000 0.982 181 Q CA 2.099 57.852 55.803 -0.085 0.000 0.850 181 Q CB -0.051 28.678 28.738 -0.015 0.000 0.901 181 Q HN 0.865 nan 8.270 nan 0.000 0.422 182 W N 0.117 121.415 121.300 -0.003 0.000 2.342 182 W HA -0.162 4.637 4.660 0.231 0.000 0.297 182 W C 1.327 177.888 176.519 0.070 0.000 1.213 182 W CA 1.339 58.696 57.345 0.019 0.000 1.251 182 W CB -0.654 28.821 29.460 0.026 0.000 1.136 182 W HN 0.320 nan 8.180 nan 0.000 0.526 183 E N 0.905 120.622 120.200 -0.806 0.000 2.112 183 E HA -0.143 4.345 4.350 0.231 0.000 0.190 183 E C 2.444 178.902 176.600 -0.235 0.000 0.979 183 E CA 0.890 56.868 56.400 -0.702 0.000 0.814 183 E CB -0.091 28.947 29.700 -1.103 0.000 0.762 183 E HN 0.225 nan 8.360 nan 0.000 0.460 184 R N 0.745 121.115 120.500 -0.217 0.000 2.105 184 R HA -0.145 4.333 4.340 0.231 0.000 0.239 184 R C 1.847 178.149 176.300 0.002 0.000 1.135 184 R CA 1.503 57.537 56.100 -0.109 0.000 0.967 184 R CB -0.250 29.976 30.300 -0.123 0.000 0.861 184 R HN 0.210 nan 8.270 nan 0.000 0.442 185 D N 0.782 121.217 120.400 0.057 0.000 2.117 185 D HA -0.137 4.642 4.640 0.231 0.000 0.197 185 D C 1.960 178.514 176.300 0.424 0.000 0.987 185 D CA 0.945 55.055 54.000 0.184 0.000 0.829 185 D CB -0.123 40.708 40.800 0.051 0.000 0.961 185 D HN 0.092 nan 8.370 nan 0.000 0.460 186 I N 1.348 122.154 120.570 0.393 0.000 2.127 186 I HA -0.234 4.075 4.170 0.231 0.000 0.241 186 I C 2.523 178.767 176.117 0.212 0.000 1.075 186 I CA 0.871 62.365 61.300 0.323 0.000 1.334 186 I CB -1.280 36.900 38.000 0.300 0.000 1.040 186 I HN -0.100 nan 8.210 nan 0.000 0.405 187 A N 0.650 123.565 122.820 0.158 0.000 1.883 187 A HA -0.173 4.286 4.320 0.231 0.000 0.217 187 A C 2.559 180.272 177.584 0.215 0.000 1.186 187 A CA 2.087 54.227 52.037 0.172 0.000 0.624 187 A CB -1.049 17.972 19.000 0.034 0.000 0.822 187 A HN 0.258 nan 8.150 nan 0.000 0.444 188 V N 0.054 120.053 119.914 0.142 0.000 2.295 188 V HA -0.254 4.005 4.120 0.231 0.000 0.246 188 V C 2.477 178.688 176.094 0.195 0.000 1.049 188 V CA 1.867 64.254 62.300 0.145 0.000 1.024 188 V CB -0.736 31.146 31.823 0.098 0.000 0.648 188 V HN 0.630 nan 8.190 nan 0.000 0.447 189 L N -0.133 121.212 121.223 0.203 0.000 1.989 189 L HA -0.198 4.281 4.340 0.231 0.000 0.211 189 L C 2.480 179.388 176.870 0.063 0.000 1.071 189 L CA 2.050 56.954 54.840 0.108 0.000 0.749 189 L CB -0.288 41.756 42.059 -0.025 0.000 0.890 189 L HN 0.213 nan 8.230 nan 0.000 0.431 190 V N -1.104 118.874 119.914 0.107 0.000 2.343 190 V HA -0.340 3.918 4.120 0.231 0.000 0.247 190 V C 2.234 178.376 176.094 0.081 0.000 1.051 190 V CA 1.980 64.324 62.300 0.073 0.000 1.036 190 V CB -0.667 31.215 31.823 0.099 0.000 0.654 190 V HN 0.602 nan 8.190 nan 0.000 0.451 191 W N 0.726 122.032 121.300 0.010 0.000 2.355 191 W HA -0.135 4.662 4.660 0.228 0.000 0.309 191 W C 2.381 178.892 176.519 -0.013 0.000 1.206 191 W CA 1.772 59.161 57.345 0.072 0.000 1.284 191 W CB -0.655 28.886 29.460 0.135 0.000 1.145 191 W HN 0.402 nan 8.180 nan 0.000 0.502 192 G N 0.032 108.929 108.800 0.163 0.000 2.418 192 G HA2 -0.204 3.895 3.960 0.231 0.000 0.217 192 G HA3 -0.204 3.895 3.960 0.231 0.000 0.217 192 G C 1.652 176.442 174.900 -0.184 0.000 1.158 192 G CA 1.447 46.517 45.100 -0.051 0.000 0.771 192 G HN 0.286 nan 8.290 nan 0.000 0.545 193 A N 0.123 122.856 122.820 -0.145 0.000 1.902 193 A HA 0.080 4.539 4.320 0.231 0.000 0.217 193 A C 2.607 180.054 177.584 -0.228 0.000 1.181 193 A CA 1.820 53.768 52.037 -0.149 0.000 0.623 193 A CB -0.638 18.302 19.000 -0.101 0.000 0.818 193 A HN 0.249 nan 8.150 nan 0.000 0.443 194 V N -0.118 119.588 119.914 -0.346 0.000 2.358 194 V HA -0.235 4.024 4.120 0.231 0.000 0.246 194 V C 3.065 178.671 176.094 -0.814 0.000 1.047 194 V CA 1.853 63.817 62.300 -0.559 0.000 1.035 194 V CB -1.232 30.171 31.823 -0.699 0.000 0.658 194 V HN 0.615 nan 8.190 nan 0.000 0.452 195 A N -0.555 121.703 122.820 -0.936 0.000 1.948 195 A HA -0.228 4.231 4.320 0.231 0.000 0.220 195 A C 2.135 179.549 177.584 -0.284 0.000 1.177 195 A CA 1.830 53.452 52.037 -0.692 0.000 0.636 195 A CB -0.334 18.562 19.000 -0.174 0.000 0.815 195 A HN 0.546 nan 8.150 nan 0.000 0.449 196 E N -0.965 119.118 120.200 -0.194 0.000 2.447 196 E HA -0.034 4.455 4.350 0.231 0.000 0.195 196 E C 1.646 178.244 176.600 -0.004 0.000 1.028 196 E CA 1.283 57.673 56.400 -0.016 0.000 0.876 196 E CB -0.051 29.677 29.700 0.047 0.000 0.885 196 E HN 0.818 nan 8.360 nan 0.000 0.500 197 T N -3.016 111.477 114.554 -0.102 0.000 3.054 197 T HA 0.142 4.631 4.350 0.231 0.000 0.255 197 T C 0.887 175.517 174.700 -0.117 0.000 1.035 197 T CA -0.340 61.719 62.100 -0.067 0.000 0.941 197 T CB -0.259 68.576 68.868 -0.056 0.000 1.026 197 T HN -0.083 nan 8.240 nan 0.000 0.533 198 C N 2.560 121.720 119.300 -0.233 0.000 2.301 198 C HA 0.582 5.181 4.460 0.231 0.000 0.313 198 C C 0.275 175.133 174.990 -0.221 0.000 1.121 198 C CA -1.565 57.239 59.018 -0.356 0.000 1.507 198 C CB -1.337 25.990 27.740 -0.690 0.000 1.975 198 C HN 0.581 nan 8.230 nan 0.000 0.425 199 I N 3.697 124.226 120.570 -0.067 0.000 2.452 199 I HA 0.066 4.375 4.170 0.231 0.000 0.287 199 I C 0.729 176.906 176.117 0.100 0.000 1.079 199 I CA 0.295 61.625 61.300 0.050 0.000 1.387 199 I CB 0.199 38.297 38.000 0.165 0.000 1.404 199 I HN 0.602 nan 8.210 nan 0.000 0.522 200 N N 5.026 123.752 118.700 0.042 0.000 2.412 200 N HA -0.021 4.857 4.740 0.231 0.000 0.258 200 N C 0.879 176.364 175.510 -0.043 0.000 1.236 200 N CA 0.426 53.507 53.050 0.050 0.000 0.882 200 N CB 1.302 39.835 38.487 0.077 0.000 1.066 200 N HN 0.766 nan 8.380 nan 0.000 0.465 201 A N 5.045 127.860 122.820 -0.008 0.000 1.940 201 A HA -0.137 4.322 4.320 0.231 0.000 0.219 201 A C 2.271 179.559 177.584 -0.494 0.000 1.176 201 A CA 1.099 52.960 52.037 -0.294 0.000 0.631 201 A CB -0.416 18.629 19.000 0.075 0.000 0.814 201 A HN 0.779 nan 8.150 nan 0.000 0.446 202 L N -1.135 119.933 121.223 -0.259 0.000 2.093 202 L HA -0.157 4.322 4.340 0.231 0.000 0.208 202 L C 2.537 179.150 176.870 -0.428 0.000 1.085 202 L CA 1.025 55.658 54.840 -0.346 0.000 0.755 202 L CB -0.599 41.289 42.059 -0.285 0.000 0.904 202 L HN 0.480 nan 8.230 nan 0.000 0.435 203 L N 0.515 121.579 121.223 -0.266 0.000 1.989 203 L HA -0.190 4.289 4.340 0.231 0.000 0.211 203 L C 2.580 179.293 176.870 -0.262 0.000 1.071 203 L CA 2.251 56.987 54.840 -0.174 0.000 0.749 203 L CB -0.670 41.332 42.059 -0.095 0.000 0.890 203 L HN 0.137 nan 8.230 nan 0.000 0.431 204 A N -1.060 121.492 122.820 -0.446 0.000 1.930 204 A HA -0.021 4.438 4.320 0.231 0.000 0.215 204 A C 2.225 179.514 177.584 -0.491 0.000 1.176 204 A CA 1.472 53.225 52.037 -0.473 0.000 0.632 204 A CB -0.697 17.853 19.000 -0.749 0.000 0.819 204 A HN 0.501 nan 8.150 nan 0.000 0.445 205 L N -0.687 120.161 121.223 -0.626 0.000 2.109 205 L HA -0.084 4.395 4.340 0.231 0.000 0.207 205 L C 2.443 179.110 176.870 -0.338 0.000 1.086 205 L CA 0.725 55.283 54.840 -0.470 0.000 0.760 205 L CB -0.428 41.348 42.059 -0.471 0.000 0.910 205 L HN 0.343 nan 8.230 nan 0.000 0.437 206 L N -0.426 120.591 121.223 -0.345 0.000 2.093 206 L HA -0.176 4.303 4.340 0.231 0.000 0.208 206 L C 2.888 179.658 176.870 -0.167 0.000 1.085 206 L CA 1.032 55.710 54.840 -0.270 0.000 0.755 206 L CB -0.717 41.195 42.059 -0.244 0.000 0.904 206 L HN 0.233 nan 8.230 nan 0.000 0.435 207 A N 1.287 124.024 122.820 -0.139 0.000 1.908 207 A HA -0.238 4.220 4.320 0.231 0.000 0.218 207 A C 2.277 179.813 177.584 -0.080 0.000 1.181 207 A CA 2.090 54.081 52.037 -0.076 0.000 0.627 207 A CB -0.569 18.396 19.000 -0.057 0.000 0.818 207 A HN 0.589 nan 8.150 nan 0.000 0.445 208 R N -0.563 119.875 120.500 -0.105 0.000 2.310 208 R HA 0.129 4.608 4.340 0.231 0.000 0.202 208 R C -0.164 176.078 176.300 -0.096 0.000 0.933 208 R CA 0.369 56.420 56.100 -0.082 0.000 1.054 208 R CB -0.276 29.985 30.300 -0.064 0.000 0.985 208 R HN 0.367 nan 8.270 nan 0.000 0.489 209 D N 0.949 121.272 120.400 -0.128 0.000 2.317 209 D HA 0.141 4.920 4.640 0.231 0.000 0.252 209 D C 0.067 176.289 176.300 -0.131 0.000 1.174 209 D CA 0.033 53.949 54.000 -0.140 0.000 0.866 209 D CB 1.646 42.334 40.800 -0.187 0.000 1.127 209 D HN 0.331 nan 8.370 nan 0.000 0.467 210 A N 2.752 125.505 122.820 -0.111 0.000 2.275 210 A HA -0.029 4.430 4.320 0.231 0.000 0.212 210 A C 1.775 179.288 177.584 -0.118 0.000 1.201 210 A CA 0.581 52.554 52.037 -0.107 0.000 0.843 210 A CB -0.057 18.893 19.000 -0.083 0.000 0.873 210 A HN 0.642 nan 8.150 nan 0.000 0.492 211 T N -1.341 113.139 114.554 -0.123 0.000 3.067 211 T HA 0.279 4.768 4.350 0.231 0.000 0.257 211 T C 0.832 175.444 174.700 -0.147 0.000 1.105 211 T CA 0.483 62.512 62.100 -0.118 0.000 1.104 211 T CB -0.709 68.101 68.868 -0.096 0.000 0.925 211 T HN 0.526 nan 8.240 nan 0.000 0.498 212 I N -1.799 118.658 120.570 -0.188 0.000 3.062 212 I HA 0.517 4.826 4.170 0.231 0.000 0.316 212 I C -0.302 175.608 176.117 -0.344 0.000 1.041 212 I CA -1.599 59.551 61.300 -0.249 0.000 1.069 212 I CB 0.837 38.680 38.000 -0.263 0.000 1.300 212 I HN -0.227 nan 8.210 nan 0.000 0.518 213 Q N 2.690 122.173 119.800 -0.528 0.000 2.398 213 Q HA 0.005 4.484 4.340 0.231 0.000 0.329 213 Q C -1.674 173.993 176.000 -0.554 0.000 1.079 213 Q CA -0.840 54.551 55.803 -0.686 0.000 1.041 213 Q CB 0.367 28.337 28.738 -1.280 0.000 1.084 213 Q HN 0.478 nan 8.270 nan 0.000 0.386 214 P HA -0.188 nan 4.420 nan 0.000 0.220 214 P C 1.191 178.320 177.300 -0.285 0.000 1.148 214 P CA 1.312 64.241 63.100 -0.284 0.000 0.803 214 P CB -0.007 31.555 31.700 -0.230 0.000 0.782 215 M N -2.109 117.244 119.600 -0.412 0.000 2.374 215 M HA -0.088 4.531 4.480 0.231 0.000 0.264 215 M C 1.559 177.815 176.300 -0.074 0.000 1.067 215 M CA 1.744 56.798 55.300 -0.411 0.000 1.103 215 M CB -2.275 29.697 32.600 -1.047 0.000 1.402 215 M HN -0.019 nan 8.290 nan 0.000 0.444 216 H N 1.610 120.510 119.070 -0.284 0.000 2.317 216 H HA 0.221 4.918 4.556 0.236 0.000 0.304 216 H C 2.785 178.043 175.328 -0.117 0.000 1.067 216 H CA 2.018 57.893 56.048 -0.289 0.000 1.352 216 H CB -0.970 28.217 29.762 -0.959 0.000 1.398 216 H HN 0.604 nan 8.280 nan 0.000 0.510 217 S N 1.135 116.802 115.700 -0.055 0.000 2.374 217 S HA -0.126 4.483 4.470 0.231 0.000 0.227 217 S C 2.195 176.789 174.600 -0.010 0.000 1.037 217 S CA 1.709 59.875 58.200 -0.057 0.000 1.024 217 S CB -0.536 62.597 63.200 -0.111 0.000 0.861 217 S HN 0.205 nan 8.310 nan 0.000 0.456 218 L N 0.985 122.195 121.223 -0.022 0.000 2.005 218 L HA 0.089 4.568 4.340 0.231 0.000 0.207 218 L C 2.158 179.061 176.870 0.055 0.000 1.072 218 L CA 1.417 56.256 54.840 -0.001 0.000 0.744 218 L CB -0.483 41.552 42.059 -0.040 0.000 0.895 218 L HN 0.499 nan 8.230 nan 0.000 0.433 219 I N -0.314 120.305 120.570 0.081 0.000 2.208 219 I HA -0.344 3.964 4.170 0.231 0.000 0.245 219 I C 2.353 178.552 176.117 0.138 0.000 1.097 219 I CA 1.932 63.286 61.300 0.090 0.000 1.363 219 I CB -0.714 37.330 38.000 0.074 0.000 1.051 219 I HN 0.508 nan 8.210 nan 0.000 0.413 220 T N -3.031 111.639 114.554 0.194 0.000 2.904 220 T HA -0.115 4.374 4.350 0.231 0.000 0.267 220 T C 1.817 176.590 174.700 0.122 0.000 1.059 220 T CA 1.556 63.782 62.100 0.209 0.000 1.137 220 T CB -0.760 68.216 68.868 0.180 0.000 0.879 220 T HN 0.209 nan 8.240 nan 0.000 0.467 221 T N 2.573 117.174 114.554 0.079 0.000 2.684 221 T HA 0.048 4.536 4.350 0.231 0.000 0.267 221 T C 1.887 176.638 174.700 0.084 0.000 1.036 221 T CA 1.343 63.477 62.100 0.056 0.000 1.148 221 T CB -0.577 68.310 68.868 0.031 0.000 0.863 221 T HN 0.299 nan 8.240 nan 0.000 0.436 222 L N -0.230 121.057 121.223 0.107 0.000 2.012 222 L HA -0.150 4.328 4.340 0.231 0.000 0.210 222 L C 2.507 179.465 176.870 0.146 0.000 1.073 222 L CA 1.769 56.691 54.840 0.136 0.000 0.748 222 L CB -0.620 41.548 42.059 0.181 0.000 0.891 222 L HN 0.429 nan 8.230 nan 0.000 0.431 223 H N -0.507 118.554 119.070 -0.015 0.000 2.321 223 H HA -0.223 4.483 4.556 0.251 0.000 0.300 223 H C 2.237 177.506 175.328 -0.097 0.000 1.087 223 H CA 1.359 57.282 56.048 -0.208 0.000 1.319 223 H CB 0.234 29.924 29.762 -0.121 0.000 1.379 223 H HN 0.128 nan 8.280 nan 0.000 0.501 224 L N 1.254 122.550 121.223 0.122 0.000 2.042 224 L HA -0.174 4.305 4.340 0.231 0.000 0.210 224 L C 2.312 179.223 176.870 0.070 0.000 1.076 224 L CA 1.535 56.411 54.840 0.060 0.000 0.749 224 L CB -0.457 41.625 42.059 0.039 0.000 0.893 224 L HN 0.187 nan 8.230 nan 0.000 0.432 225 R N -0.524 120.023 120.500 0.077 0.000 2.083 225 R HA -0.160 4.318 4.340 0.231 0.000 0.237 225 R C 1.923 178.261 176.300 0.063 0.000 1.137 225 R CA 1.624 57.766 56.100 0.069 0.000 0.951 225 R CB -0.576 29.765 30.300 0.069 0.000 0.851 225 R HN 0.434 nan 8.270 nan 0.000 0.434 226 D N 0.220 120.665 120.400 0.074 0.000 2.117 226 D HA -0.142 4.636 4.640 0.231 0.000 0.198 226 D C 1.787 177.936 176.300 -0.251 0.000 0.982 226 D CA 1.055 55.053 54.000 -0.002 0.000 0.828 226 D CB -0.143 40.776 40.800 0.197 0.000 0.967 226 D HN 0.130 nan 8.370 nan 0.000 0.464 227 E N 0.138 120.294 120.200 -0.074 0.000 2.110 227 E HA -0.115 4.374 4.350 0.231 0.000 0.193 227 E C 1.814 178.446 176.600 0.054 0.000 0.988 227 E CA 1.247 57.644 56.400 -0.005 0.000 0.804 227 E CB -0.187 29.566 29.700 0.088 0.000 0.745 227 E HN 0.105 nan 8.360 nan 0.000 0.458 228 T N -0.003 114.584 114.554 0.055 0.000 2.720 228 T HA -0.173 4.315 4.350 0.231 0.000 0.268 228 T C 1.821 176.579 174.700 0.098 0.000 1.037 228 T CA 1.471 63.618 62.100 0.079 0.000 1.144 228 T CB -0.467 68.445 68.868 0.073 0.000 0.864 228 T HN 0.345 nan 8.240 nan 0.000 0.444 229 A N 1.101 123.979 122.820 0.097 0.000 1.898 229 A HA -0.145 4.314 4.320 0.231 0.000 0.216 229 A C 1.924 179.664 177.584 0.260 0.000 1.181 229 A CA 1.566 53.698 52.037 0.157 0.000 0.620 229 A CB -0.934 18.174 19.000 0.181 0.000 0.819 229 A HN 0.712 nan 8.150 nan 0.000 0.442 230 H N -1.037 118.142 119.070 0.182 0.000 2.352 230 H HA -0.105 4.589 4.556 0.230 0.000 0.299 230 H C 2.429 177.863 175.328 0.177 0.000 1.097 230 H CA 0.385 56.558 56.048 0.208 0.000 1.311 230 H CB -0.093 29.854 29.762 0.309 0.000 1.377 230 H HN 0.550 nan 8.280 nan 0.000 0.504 231 G N 0.210 109.165 108.800 0.258 0.000 2.440 231 G HA2 -0.287 3.811 3.960 0.231 0.000 0.218 231 G HA3 -0.287 3.811 3.960 0.231 0.000 0.218 231 G C 1.840 176.810 174.900 0.116 0.000 1.154 231 G CA 1.080 46.269 45.100 0.149 0.000 0.767 231 G HN 0.300 nan 8.290 nan 0.000 0.552 232 S N 0.587 116.356 115.700 0.115 0.000 2.368 232 S HA -0.043 4.566 4.470 0.231 0.000 0.225 232 S C 2.273 176.925 174.600 0.087 0.000 1.030 232 S CA 0.950 59.201 58.200 0.086 0.000 0.999 232 S CB -0.221 63.028 63.200 0.081 0.000 0.844 232 S HN 0.397 nan 8.310 nan 0.000 0.459 233 I N 1.196 121.835 120.570 0.115 0.000 2.163 233 I HA -0.164 4.145 4.170 0.231 0.000 0.243 233 I C 2.225 178.400 176.117 0.097 0.000 1.085 233 I CA 0.985 62.339 61.300 0.091 0.000 1.347 233 I CB -0.560 37.485 38.000 0.075 0.000 1.044 233 I HN 0.145 nan 8.210 nan 0.000 0.408 234 V N 0.394 120.391 119.914 0.138 0.000 2.343 234 V HA -0.241 4.018 4.120 0.231 0.000 0.247 234 V C 2.473 178.601 176.094 0.057 0.000 1.051 234 V CA 1.545 63.918 62.300 0.123 0.000 1.036 234 V CB -0.397 31.500 31.823 0.124 0.000 0.654 234 V HN 0.234 nan 8.190 nan 0.000 0.451 235 V N -0.006 119.934 119.914 0.043 0.000 2.252 235 V HA -0.269 3.990 4.120 0.231 0.000 0.249 235 V C 2.642 178.746 176.094 0.017 0.000 1.056 235 V CA 2.161 64.471 62.300 0.016 0.000 1.022 235 V CB -0.664 31.167 31.823 0.013 0.000 0.641 235 V HN 0.578 nan 8.190 nan 0.000 0.445 236 E N -0.112 120.106 120.200 0.030 0.000 2.051 236 E HA -0.167 4.322 4.350 0.231 0.000 0.192 236 E C 2.293 178.911 176.600 0.030 0.000 0.991 236 E CA 1.419 57.836 56.400 0.028 0.000 0.799 236 E CB -0.620 29.098 29.700 0.031 0.000 0.748 236 E HN 0.506 nan 8.360 nan 0.000 0.449 237 V N 1.164 121.101 119.914 0.038 0.000 2.307 237 V HA -0.183 4.076 4.120 0.231 0.000 0.245 237 V C 2.604 178.714 176.094 0.026 0.000 1.045 237 V CA 1.186 63.510 62.300 0.041 0.000 1.024 237 V CB -0.469 31.392 31.823 0.064 0.000 0.651 237 V HN 0.046 nan 8.190 nan 0.000 0.449 238 V N 0.202 120.123 119.914 0.012 0.000 2.343 238 V HA -0.268 3.991 4.120 0.231 0.000 0.247 238 V C 2.604 178.708 176.094 0.017 0.000 1.051 238 V CA 2.319 64.610 62.300 -0.015 0.000 1.036 238 V CB -0.842 30.955 31.823 -0.043 0.000 0.654 238 V HN 0.499 nan 8.190 nan 0.000 0.451 239 R N 0.101 120.611 120.500 0.018 0.000 2.083 239 R HA -0.194 4.284 4.340 0.231 0.000 0.237 239 R C 2.293 178.646 176.300 0.088 0.000 1.137 239 R CA 1.885 58.013 56.100 0.048 0.000 0.951 239 R CB -0.218 30.098 30.300 0.028 0.000 0.851 239 R HN 0.516 nan 8.270 nan 0.000 0.434 240 E N 0.714 120.950 120.200 0.060 0.000 2.106 240 E HA -0.165 4.323 4.350 0.231 0.000 0.192 240 E C 2.181 178.819 176.600 0.064 0.000 0.984 240 E CA 0.994 57.428 56.400 0.057 0.000 0.806 240 E CB -0.194 29.532 29.700 0.044 0.000 0.750 240 E HN 0.430 nan 8.360 nan 0.000 0.458 241 L N -0.317 120.941 121.223 0.059 0.000 2.072 241 L HA -0.148 4.330 4.340 0.231 0.000 0.205 241 L C 2.596 179.508 176.870 0.071 0.000 1.079 241 L CA 1.041 55.909 54.840 0.048 0.000 0.752 241 L CB -0.598 41.441 42.059 -0.033 0.000 0.906 241 L HN 0.088 nan 8.230 nan 0.000 0.436 242 Y N 1.172 121.449 120.300 -0.039 0.000 2.165 242 Y HA -0.313 4.377 4.550 0.233 0.000 0.286 242 Y C 2.503 178.401 175.900 -0.002 0.000 1.155 242 Y CA 1.365 59.452 58.100 -0.021 0.000 1.164 242 Y CB -0.219 38.228 38.460 -0.021 0.000 0.978 242 Y HN 0.118 nan 8.280 nan 0.000 0.513 243 A N 0.268 123.143 122.820 0.091 0.000 1.972 243 A HA -0.162 4.297 4.320 0.231 0.000 0.219 243 A C 2.145 179.701 177.584 -0.048 0.000 1.169 243 A CA 1.625 53.668 52.037 0.011 0.000 0.635 243 A CB -0.364 18.671 19.000 0.059 0.000 0.810 243 A HN 0.396 nan 8.150 nan 0.000 0.446 244 R N -1.256 119.231 120.500 -0.023 0.000 2.280 244 R HA 0.276 4.754 4.340 0.231 0.000 0.195 244 R C 0.419 176.695 176.300 -0.040 0.000 0.935 244 R CA -0.034 56.055 56.100 -0.019 0.000 1.033 244 R CB -0.425 29.887 30.300 0.020 0.000 0.964 244 R HN 0.528 nan 8.270 nan 0.000 0.489 245 M N 2.412 121.969 119.600 -0.071 0.000 2.250 245 M HA -0.045 4.574 4.480 0.231 0.000 0.325 245 M C 0.529 176.748 176.300 -0.135 0.000 1.084 245 M CA 0.005 55.255 55.300 -0.082 0.000 1.161 245 M CB 0.358 32.898 32.600 -0.100 0.000 1.481 245 M HN 0.029 nan 8.290 nan 0.000 0.449 246 N N 1.237 119.860 118.700 -0.129 0.000 2.347 246 N HA 0.070 4.949 4.740 0.231 0.000 0.253 246 N C 0.281 175.699 175.510 -0.155 0.000 1.274 246 N CA -0.381 52.581 53.050 -0.146 0.000 0.941 246 N CB 0.388 38.780 38.487 -0.157 0.000 1.200 246 N HN 0.441 nan 8.380 nan 0.000 0.514 247 E N -0.467 119.656 120.200 -0.128 0.000 2.085 247 E HA -0.276 4.213 4.350 0.231 0.000 0.194 247 E C 1.690 178.252 176.600 -0.062 0.000 0.994 247 E CA 1.639 57.982 56.400 -0.094 0.000 0.801 247 E CB -0.479 29.185 29.700 -0.060 0.000 0.743 247 E HN 0.883 nan 8.360 nan 0.000 0.453 248 Q N 0.248 119.991 119.800 -0.095 0.000 2.172 248 Q HA -0.130 4.348 4.340 0.231 0.000 0.200 248 Q C 1.998 178.017 176.000 0.032 0.000 0.964 248 Q CA 1.139 56.920 55.803 -0.038 0.000 0.855 248 Q CB -0.227 28.454 28.738 -0.094 0.000 0.918 248 Q HN 0.282 nan 8.270 nan 0.000 0.444 249 Q N 0.521 120.257 119.800 -0.107 0.000 2.046 249 Q HA -0.092 4.387 4.340 0.231 0.000 0.200 249 Q C 2.281 178.370 176.000 0.148 0.000 0.975 249 Q CA 1.453 57.314 55.803 0.096 0.000 0.836 249 Q CB 0.037 28.781 28.738 0.011 0.000 0.896 249 Q HN 0.396 nan 8.270 nan 0.000 0.428 250 R N 0.247 120.749 120.500 0.004 0.000 2.080 250 R HA -0.117 4.361 4.340 0.231 0.000 0.236 250 R C 2.351 178.765 176.300 0.190 0.000 1.137 250 R CA 1.336 57.431 56.100 -0.009 0.000 0.943 250 R CB -0.212 29.899 30.300 -0.314 0.000 0.846 250 R HN 0.186 nan 8.270 nan 0.000 0.431 251 R N 0.102 120.682 120.500 0.133 0.000 2.096 251 R HA -0.155 4.324 4.340 0.231 0.000 0.240 251 R C 2.344 178.757 176.300 0.189 0.000 1.139 251 R CA 1.594 57.787 56.100 0.155 0.000 0.952 251 R CB -0.446 29.929 30.300 0.126 0.000 0.854 251 R HN 0.244 nan 8.270 nan 0.000 0.436 252 A N 1.280 124.246 122.820 0.243 0.000 1.902 252 A HA -0.169 4.290 4.320 0.231 0.000 0.217 252 A C 2.177 179.883 177.584 0.203 0.000 1.181 252 A CA 1.149 53.331 52.037 0.241 0.000 0.623 252 A CB -0.582 18.631 19.000 0.355 0.000 0.818 252 A HN 0.335 nan 8.150 nan 0.000 0.443 253 L N -0.118 121.244 121.223 0.231 0.000 2.012 253 L HA -0.176 4.302 4.340 0.231 0.000 0.210 253 L C 2.400 179.355 176.870 0.142 0.000 1.073 253 L CA 1.855 56.811 54.840 0.193 0.000 0.748 253 L CB -0.255 41.957 42.059 0.255 0.000 0.891 253 L HN 0.213 nan 8.230 nan 0.000 0.431 254 V N 0.045 120.060 119.914 0.170 0.000 2.295 254 V HA -0.299 3.960 4.120 0.231 0.000 0.246 254 V C 2.663 178.810 176.094 0.089 0.000 1.049 254 V CA 2.201 64.569 62.300 0.114 0.000 1.024 254 V CB -0.776 31.134 31.823 0.144 0.000 0.648 254 V HN 0.467 nan 8.190 nan 0.000 0.447 255 R N -0.888 119.674 120.500 0.104 0.000 2.096 255 R HA -0.185 4.294 4.340 0.231 0.000 0.235 255 R C 2.382 178.732 176.300 0.083 0.000 1.127 255 R CA 1.749 57.901 56.100 0.087 0.000 0.968 255 R CB -0.873 29.482 30.300 0.092 0.000 0.861 255 R HN 0.566 nan 8.270 nan 0.000 0.440 256 C N 0.808 120.168 119.300 0.101 0.000 2.450 256 C HA 0.075 4.674 4.460 0.231 0.000 0.279 256 C C 2.514 177.534 174.990 0.050 0.000 1.335 256 C CA 0.128 59.222 59.018 0.126 0.000 1.749 256 C CB -1.014 26.833 27.740 0.179 0.000 1.963 256 C HN 0.428 nan 8.230 nan 0.000 0.501 257 L N 1.965 123.192 121.223 0.006 0.000 1.971 257 L HA -0.115 4.364 4.340 0.231 0.000 0.215 257 L C -0.035 176.742 176.870 -0.156 0.000 1.072 257 L CA 2.351 57.144 54.840 -0.080 0.000 0.758 257 L CB -1.778 40.250 42.059 -0.052 0.000 0.889 257 L HN 0.278 nan 8.230 nan 0.000 0.433 258 P HA -0.171 nan 4.420 nan 0.000 0.218 258 P C 1.726 178.953 177.300 -0.121 0.000 1.149 258 P CA 1.622 64.654 63.100 -0.114 0.000 0.817 258 P CB -0.035 31.667 31.700 0.004 0.000 0.785 259 I N 0.231 120.768 120.570 -0.057 0.000 2.202 259 I HA -0.203 4.106 4.170 0.231 0.000 0.242 259 I C 2.674 178.665 176.117 -0.209 0.000 1.091 259 I CA 1.551 62.847 61.300 -0.006 0.000 1.368 259 I CB -1.021 37.076 38.000 0.161 0.000 1.058 259 I HN -0.100 nan 8.210 nan 0.000 0.410 260 A N 0.950 123.461 122.820 -0.515 0.000 1.902 260 A HA -0.134 4.325 4.320 0.231 0.000 0.217 260 A C 2.332 179.608 177.584 -0.514 0.000 1.181 260 A CA 1.388 52.781 52.037 -1.073 0.000 0.623 260 A CB -0.864 17.519 19.000 -1.027 0.000 0.818 260 A HN 0.367 nan 8.150 nan 0.000 0.443 261 L N -1.112 119.819 121.223 -0.486 0.000 2.017 261 L HA -0.200 4.278 4.340 0.231 0.000 0.208 261 L C 2.679 179.298 176.870 -0.419 0.000 1.073 261 L CA 1.770 56.220 54.840 -0.649 0.000 0.745 261 L CB -0.450 40.737 42.059 -1.453 0.000 0.894 261 L HN 0.373 nan 8.230 nan 0.000 0.432 262 E N 0.127 120.184 120.200 -0.238 0.000 2.110 262 E HA -0.187 4.302 4.350 0.231 0.000 0.193 262 E C 2.137 178.775 176.600 0.065 0.000 0.988 262 E CA 1.315 57.753 56.400 0.064 0.000 0.804 262 E CB -0.117 29.637 29.700 0.091 0.000 0.745 262 E HN 0.404 nan 8.360 nan 0.000 0.458 263 A N -0.414 122.402 122.820 -0.007 0.000 1.902 263 A HA -0.160 4.298 4.320 0.231 0.000 0.217 263 A C 1.937 179.469 177.584 -0.088 0.000 1.181 263 A CA 1.401 53.426 52.037 -0.020 0.000 0.623 263 A CB -0.845 18.159 19.000 0.006 0.000 0.818 263 A HN 0.338 nan 8.150 nan 0.000 0.443 264 F N -0.272 119.645 119.950 -0.055 0.000 2.502 264 F HA 0.117 4.771 4.527 0.213 0.000 0.298 264 F C 2.501 178.430 175.800 0.214 0.000 1.111 264 F CA 0.678 58.693 58.000 0.025 0.000 1.445 264 F CB -0.089 38.857 39.000 -0.090 0.000 1.081 264 F HN 0.254 nan 8.300 nan 0.000 0.558 265 A N -0.530 122.549 122.820 0.432 0.000 2.123 265 A HA -0.061 4.398 4.320 0.231 0.000 0.214 265 A C 1.071 178.795 177.584 0.233 0.000 1.152 265 A CA 0.032 52.332 52.037 0.439 0.000 0.728 265 A CB -0.573 18.649 19.000 0.370 0.000 0.814 265 A HN 0.336 nan 8.150 nan 0.000 0.464 266 E N 0.895 121.186 120.200 0.152 0.000 2.223 266 E HA 0.247 4.735 4.350 0.231 0.000 0.282 266 E C -0.499 176.148 176.600 0.078 0.000 1.046 266 E CA -0.453 56.002 56.400 0.093 0.000 0.857 266 E CB 0.370 30.107 29.700 0.062 0.000 1.055 266 E HN 0.312 nan 8.360 nan 0.000 0.409 267 Q N 3.589 123.435 119.800 0.077 0.000 2.256 267 Q HA 0.203 4.682 4.340 0.231 0.000 0.254 267 Q C -1.640 174.391 176.000 0.051 0.000 0.916 267 Q CA -0.140 55.705 55.803 0.071 0.000 0.932 267 Q CB 1.432 30.218 28.738 0.080 0.000 1.207 267 Q HN 0.554 nan 8.270 nan 0.000 0.426 268 D N 3.217 123.643 120.400 0.044 0.000 2.469 268 D HA 0.199 4.978 4.640 0.231 0.000 0.251 268 D C -0.389 175.933 176.300 0.035 0.000 1.173 268 D CA -0.385 53.634 54.000 0.032 0.000 0.882 268 D CB 0.670 41.483 40.800 0.020 0.000 1.129 268 D HN 0.648 nan 8.370 nan 0.000 0.549 269 L N 1.329 122.574 121.223 0.037 0.000 2.851 269 L HA 0.394 4.873 4.340 0.231 0.000 0.237 269 L C 1.071 177.954 176.870 0.021 0.000 1.257 269 L CA -0.375 54.490 54.840 0.041 0.000 1.061 269 L CB 0.187 42.280 42.059 0.057 0.000 1.372 269 L HN 0.193 nan 8.230 nan 0.000 0.493 270 S N 1.205 116.913 115.700 0.014 0.000 2.382 270 S HA -0.080 4.529 4.470 0.231 0.000 0.228 270 S C 2.175 176.775 174.600 0.001 0.000 1.027 270 S CA 1.612 59.814 58.200 0.003 0.000 0.991 270 S CB 0.136 63.337 63.200 0.002 0.000 0.823 270 S HN 0.744 nan 8.310 nan 0.000 0.469 271 A N 1.238 124.064 122.820 0.010 0.000 1.930 271 A HA 0.026 4.485 4.320 0.231 0.000 0.217 271 A C 1.951 179.544 177.584 0.016 0.000 1.175 271 A CA 0.920 52.963 52.037 0.010 0.000 0.627 271 A CB -0.486 18.523 19.000 0.015 0.000 0.815 271 A HN 0.400 nan 8.150 nan 0.000 0.443 272 L N -0.851 120.393 121.223 0.034 0.000 2.046 272 L HA -0.139 4.340 4.340 0.231 0.000 0.208 272 L C 2.504 179.346 176.870 -0.046 0.000 1.077 272 L CA 1.605 56.473 54.840 0.047 0.000 0.747 272 L CB -1.454 40.674 42.059 0.115 0.000 0.896 272 L HN 0.455 nan 8.230 nan 0.000 0.432 273 L N -0.323 120.868 121.223 -0.054 0.000 2.012 273 L HA -0.206 4.273 4.340 0.231 0.000 0.210 273 L C 2.473 179.308 176.870 -0.059 0.000 1.073 273 L CA 1.671 56.464 54.840 -0.079 0.000 0.748 273 L CB -0.611 41.415 42.059 -0.055 0.000 0.891 273 L HN 0.128 nan 8.230 nan 0.000 0.431 274 L N -0.878 120.325 121.223 -0.033 0.000 2.046 274 L HA -0.184 4.295 4.340 0.231 0.000 0.208 274 L C 2.658 179.518 176.870 -0.016 0.000 1.077 274 L CA 1.082 55.908 54.840 -0.022 0.000 0.747 274 L CB -0.670 41.380 42.059 -0.014 0.000 0.896 274 L HN 0.310 nan 8.230 nan 0.000 0.432 275 E N 0.215 120.410 120.200 -0.008 0.000 2.051 275 E HA -0.180 4.309 4.350 0.231 0.000 0.192 275 E C 2.349 178.954 176.600 0.009 0.000 0.991 275 E CA 1.147 57.555 56.400 0.013 0.000 0.799 275 E CB -0.281 29.443 29.700 0.040 0.000 0.748 275 E HN 0.460 nan 8.360 nan 0.000 0.449 276 L N 0.696 121.895 121.223 -0.040 0.000 2.017 276 L HA -0.197 4.282 4.340 0.231 0.000 0.208 276 L C 2.137 178.978 176.870 -0.048 0.000 1.073 276 L CA 1.229 56.026 54.840 -0.071 0.000 0.745 276 L CB -0.445 41.481 42.059 -0.222 0.000 0.894 276 L HN 0.148 nan 8.230 nan 0.000 0.432 277 N N -0.361 118.308 118.700 -0.052 0.000 2.104 277 N HA -0.197 4.681 4.740 0.231 0.000 0.190 277 N C 1.905 177.405 175.510 -0.017 0.000 1.024 277 N CA 1.125 54.153 53.050 -0.036 0.000 0.853 277 N CB -0.167 38.300 38.487 -0.034 0.000 1.008 277 N HN 0.336 nan 8.380 nan 0.000 0.424 278 A N 1.254 124.070 122.820 -0.007 0.000 1.851 278 A HA -0.103 4.356 4.320 0.231 0.000 0.216 278 A C 2.263 179.855 177.584 0.013 0.000 1.195 278 A CA 1.896 53.936 52.037 0.006 0.000 0.622 278 A CB -1.140 17.868 19.000 0.013 0.000 0.831 278 A HN 0.355 nan 8.150 nan 0.000 0.444 279 A N -1.911 120.920 122.820 0.018 0.000 2.178 279 A HA 0.312 4.771 4.320 0.231 0.000 0.218 279 A C 1.982 179.559 177.584 -0.011 0.000 1.157 279 A CA 1.569 53.615 52.037 0.016 0.000 0.689 279 A CB -1.193 17.828 19.000 0.035 0.000 0.787 279 A HN 2.157 nan 8.150 nan 0.000 0.465 280 G N -1.128 107.664 108.800 -0.013 0.000 2.137 280 G HA2 -0.192 3.907 3.960 0.231 0.000 0.237 280 G HA3 -0.192 3.907 3.960 0.231 0.000 0.237 280 G C 0.005 174.883 174.900 -0.038 0.000 1.002 280 G CA 0.058 45.145 45.100 -0.021 0.000 0.702 280 G HN 0.434 nan 8.290 nan 0.000 0.515 281 I N 1.143 121.688 120.570 -0.042 0.000 2.517 281 I HA 0.143 4.452 4.170 0.231 0.000 0.285 281 I C 1.327 177.412 176.117 -0.052 0.000 1.106 281 I CA 0.012 61.283 61.300 -0.049 0.000 1.402 281 I CB 0.263 38.248 38.000 -0.025 0.000 1.399 281 I HN 0.149 nan 8.210 nan 0.000 0.535 282 R N 4.143 124.616 120.500 -0.045 0.000 2.491 282 R HA 0.266 4.744 4.340 0.231 0.000 0.283 282 R C 1.013 177.283 176.300 -0.051 0.000 1.072 282 R CA 0.524 56.600 56.100 -0.039 0.000 1.048 282 R CB 0.458 30.743 30.300 -0.024 0.000 0.983 282 R HN 0.987 nan 8.270 nan 0.000 0.450 283 G N 1.591 110.359 108.800 -0.053 0.000 2.160 283 G HA2 -0.332 3.767 3.960 0.231 0.000 0.244 283 G HA3 -0.332 3.767 3.960 0.231 0.000 0.244 283 G C 0.861 175.687 174.900 -0.124 0.000 1.022 283 G CA 0.240 45.298 45.100 -0.069 0.000 0.741 283 G HN 0.758 nan 8.290 nan 0.000 0.508 284 A N -0.237 122.510 122.820 -0.121 0.000 1.883 284 A HA 0.021 4.480 4.320 0.231 0.000 0.217 284 A C 2.077 179.567 177.584 -0.156 0.000 1.186 284 A CA 2.350 54.288 52.037 -0.166 0.000 0.624 284 A CB -0.330 18.593 19.000 -0.129 0.000 0.822 284 A HN 0.615 nan 8.150 nan 0.000 0.444 285 E N -0.195 119.946 120.200 -0.099 0.000 2.085 285 E HA -0.168 4.321 4.350 0.231 0.000 0.194 285 E C 1.967 178.527 176.600 -0.067 0.000 0.994 285 E CA 1.593 57.950 56.400 -0.072 0.000 0.801 285 E CB -0.245 29.429 29.700 -0.044 0.000 0.743 285 E HN 0.730 nan 8.360 nan 0.000 0.453 286 E N 0.182 120.343 120.200 -0.066 0.000 2.058 286 E HA -0.165 4.324 4.350 0.231 0.000 0.194 286 E C 1.987 178.548 176.600 -0.066 0.000 0.997 286 E CA 1.149 57.526 56.400 -0.038 0.000 0.801 286 E CB -0.138 29.555 29.700 -0.012 0.000 0.746 286 E HN 0.263 nan 8.360 nan 0.000 0.450 287 I N -0.189 120.242 120.570 -0.231 0.000 2.226 287 I HA -0.254 4.055 4.170 0.231 0.000 0.245 287 I C 2.161 178.183 176.117 -0.159 0.000 1.100 287 I CA 0.724 61.797 61.300 -0.378 0.000 1.374 287 I CB -0.216 37.426 38.000 -0.597 0.000 1.057 287 I HN 0.022 nan 8.210 nan 0.000 0.413 288 V N 0.914 120.732 119.914 -0.160 0.000 2.323 288 V HA -0.150 4.109 4.120 0.231 0.000 0.244 288 V C 2.541 178.625 176.094 -0.015 0.000 1.041 288 V CA 2.135 64.385 62.300 -0.083 0.000 1.025 288 V CB -1.161 30.604 31.823 -0.097 0.000 0.656 288 V HN 0.555 nan 8.190 nan 0.000 0.451 289 G N -0.898 107.892 108.800 -0.016 0.000 2.498 289 G HA2 -0.276 3.822 3.960 0.231 0.000 0.219 289 G HA3 -0.276 3.822 3.960 0.231 0.000 0.219 289 G C 1.383 176.305 174.900 0.036 0.000 1.119 289 G CA 0.884 45.989 45.100 0.010 0.000 0.766 289 G HN 0.549 nan 8.290 nan 0.000 0.552 290 D N -0.126 120.310 120.400 0.059 0.000 2.137 290 D HA 0.001 4.780 4.640 0.231 0.000 0.202 290 D C 1.527 177.885 176.300 0.095 0.000 0.970 290 D CA -0.002 54.062 54.000 0.105 0.000 0.837 290 D CB 0.068 41.000 40.800 0.219 0.000 0.981 290 D HN 0.206 nan 8.370 nan 0.000 0.475 300 L N 1.245 122.566 121.223 0.164 0.000 2.818 300 L HA 0.306 4.785 4.340 0.231 0.000 0.243 300 L C 0.183 177.178 176.870 0.208 0.000 1.185 300 L CA -0.060 54.876 54.840 0.160 0.000 0.988 300 L CB 1.320 43.435 42.059 0.094 0.000 1.292 300 L HN 0.244 nan 8.230 nan 0.000 0.519 301 V N 1.322 121.385 119.914 0.248 0.000 2.715 301 V HA 0.112 4.370 4.120 0.231 0.000 0.299 301 V C 0.843 177.158 176.094 0.367 0.000 1.054 301 V CA -0.267 62.208 62.300 0.291 0.000 1.077 301 V CB 0.902 32.882 31.823 0.262 0.000 0.972 301 V HN 0.374 nan 8.190 nan 0.000 0.484 302 R N 3.478 124.177 120.500 0.331 0.000 2.756 302 R HA 0.062 4.541 4.340 0.231 0.000 0.264 302 R C -0.268 176.153 176.300 0.201 0.000 1.026 302 R CA -0.016 56.192 56.100 0.182 0.000 1.121 302 R CB 0.165 30.329 30.300 -0.228 0.000 0.999 302 R HN 0.803 nan 8.270 nan 0.000 0.449 303 D N 1.823 122.319 120.400 0.161 0.000 2.365 303 D HA 0.015 4.794 4.640 0.231 0.000 0.237 303 D C -0.360 175.944 176.300 0.005 0.000 1.190 303 D CA -0.129 53.892 54.000 0.034 0.000 0.867 303 D CB 0.265 40.998 40.800 -0.111 0.000 1.050 303 D HN 0.333 nan 8.370 nan 0.000 0.491 304 F N 2.064 122.083 119.950 0.115 0.000 2.692 304 F HA 0.098 4.769 4.527 0.241 0.000 0.303 304 F C 2.298 178.176 175.800 0.130 0.000 1.114 304 F CA -0.206 57.906 58.000 0.187 0.000 1.361 304 F CB 0.075 39.306 39.000 0.386 0.000 1.063 304 F HN 0.305 nan 8.300 nan 0.000 0.550 305 S N 0.350 116.145 115.700 0.158 0.000 2.359 305 S HA -0.205 4.404 4.470 0.231 0.000 0.224 305 S C 2.578 177.190 174.600 0.020 0.000 1.035 305 S CA 1.587 59.816 58.200 0.049 0.000 1.018 305 S CB -0.832 62.366 63.200 -0.003 0.000 0.876 305 S HN 0.563 nan 8.310 nan 0.000 0.448 306 G N 1.163 109.980 108.800 0.028 0.000 2.421 306 G HA2 -0.089 4.009 3.960 0.231 0.000 0.216 306 G HA3 -0.089 4.009 3.960 0.231 0.000 0.216 306 G C 1.547 176.452 174.900 0.009 0.000 1.171 306 G CA 0.955 46.062 45.100 0.012 0.000 0.775 306 G HN 0.597 nan 8.290 nan 0.000 0.543 307 A N 0.280 123.133 122.820 0.055 0.000 1.969 307 A HA 0.073 4.531 4.320 0.231 0.000 0.218 307 A C 2.306 179.924 177.584 0.057 0.000 1.169 307 A CA 1.696 53.788 52.037 0.091 0.000 0.635 307 A CB -0.377 18.743 19.000 0.200 0.000 0.810 307 A HN 0.363 nan 8.150 nan 0.000 0.445 308 R N -0.130 120.325 120.500 -0.075 0.000 2.075 308 R HA -0.103 4.376 4.340 0.231 0.000 0.232 308 R C 2.068 178.223 176.300 -0.242 0.000 1.126 308 R CA 1.751 57.578 56.100 -0.455 0.000 0.963 308 R CB -0.205 29.718 30.300 -0.630 0.000 0.858 308 R HN 0.490 nan 8.270 nan 0.000 0.435 309 K N 0.070 120.391 120.400 -0.132 0.000 2.057 309 K HA -0.186 4.273 4.320 0.231 0.000 0.207 309 K C 2.112 178.668 176.600 -0.074 0.000 1.049 309 K CA 1.856 58.090 56.287 -0.088 0.000 0.931 309 K CB -0.141 32.330 32.500 -0.049 0.000 0.714 309 K HN 0.223 nan 8.250 nan 0.000 0.440 310 M N 0.639 120.203 119.600 -0.061 0.000 2.080 310 M HA -0.202 4.417 4.480 0.231 0.000 0.260 310 M C 1.881 178.129 176.300 -0.087 0.000 1.068 310 M CA 1.591 56.855 55.300 -0.061 0.000 1.109 310 M CB 0.001 32.572 32.600 -0.048 0.000 1.342 310 M HN -0.052 nan 8.290 nan 0.000 0.405 311 V N 0.514 120.379 119.914 -0.082 0.000 2.343 311 V HA -0.287 3.971 4.120 0.231 0.000 0.247 311 V C 2.135 178.171 176.094 -0.098 0.000 1.051 311 V CA 2.339 64.590 62.300 -0.082 0.000 1.036 311 V CB -0.835 30.972 31.823 -0.027 0.000 0.654 311 V HN 0.556 nan 8.190 nan 0.000 0.451 312 E N -0.461 119.676 120.200 -0.104 0.000 2.023 312 E HA -0.255 4.234 4.350 0.231 0.000 0.196 312 E C 2.392 178.953 176.600 -0.065 0.000 1.003 312 E CA 1.396 57.747 56.400 -0.082 0.000 0.809 312 E CB -0.145 29.503 29.700 -0.087 0.000 0.755 312 E HN 0.469 nan 8.360 nan 0.000 0.449 313 Q N -0.219 119.544 119.800 -0.063 0.000 2.297 313 Q HA -0.145 4.333 4.340 0.231 0.000 0.208 313 Q C 2.016 177.980 176.000 -0.059 0.000 0.981 313 Q CA 0.978 56.753 55.803 -0.047 0.000 0.876 313 Q CB -0.013 28.703 28.738 -0.037 0.000 0.921 313 Q HN 0.404 nan 8.270 nan 0.000 0.446 314 L N -1.126 120.025 121.223 -0.121 0.000 2.592 314 L HA 0.136 4.615 4.340 0.231 0.000 0.227 314 L C 1.080 177.880 176.870 -0.118 0.000 1.127 314 L CA 0.351 55.059 54.840 -0.220 0.000 0.884 314 L CB -0.130 41.630 42.059 -0.499 0.000 1.065 314 L HN 0.248 nan 8.230 nan 0.000 0.457 315 G N 0.914 109.680 108.800 -0.056 0.000 2.221 315 G HA2 -0.286 3.813 3.960 0.231 0.000 0.265 315 G HA3 -0.286 3.813 3.960 0.231 0.000 0.265 315 G C 0.484 175.377 174.900 -0.011 0.000 1.041 315 G CA 0.214 45.308 45.100 -0.011 0.000 0.807 315 G HN 0.372 nan 8.290 nan 0.000 0.502 316 L N -0.105 121.090 121.223 -0.046 0.000 2.818 316 L HA 0.207 4.685 4.340 0.231 0.000 0.243 316 L C 1.623 178.496 176.870 0.006 0.000 1.185 316 L CA 0.371 55.197 54.840 -0.023 0.000 0.988 316 L CB 0.223 42.242 42.059 -0.067 0.000 1.292 316 L HN 0.197 nan 8.230 nan 0.000 0.519 317 D N 0.408 120.805 120.400 -0.006 0.000 2.311 317 D HA -0.195 4.584 4.640 0.231 0.000 0.212 317 D C 1.464 177.780 176.300 0.026 0.000 0.972 317 D CA 1.446 55.443 54.000 -0.005 0.000 0.887 317 D CB -0.170 40.613 40.800 -0.028 0.000 0.915 317 D HN 0.504 nan 8.370 nan 0.000 0.497 318 D N -0.378 120.041 120.400 0.032 0.000 2.441 318 D HA 0.552 5.330 4.640 0.231 0.000 0.210 318 D C 1.671 178.001 176.300 0.051 0.000 1.102 318 D CA 0.341 54.365 54.000 0.040 0.000 0.840 318 D CB -0.137 40.680 40.800 0.028 0.000 0.990 318 D HN 0.318 nan 8.370 nan 0.000 0.505 319 A N -0.172 122.681 122.820 0.055 0.000 2.308 319 A HA 0.521 4.980 4.320 0.231 0.000 0.217 319 A C 0.962 178.588 177.584 0.070 0.000 1.216 319 A CA 0.217 52.289 52.037 0.058 0.000 0.864 319 A CB 0.246 19.280 19.000 0.057 0.000 0.902 319 A HN 0.604 nan 8.150 nan 0.000 0.499 320 V N 0.942 120.912 119.914 0.093 0.000 2.370 320 V HA 0.327 4.586 4.120 0.231 0.000 0.283 320 V C -1.020 175.149 176.094 0.125 0.000 1.023 320 V CA -0.685 61.683 62.300 0.114 0.000 0.857 320 V CB 1.369 33.289 31.823 0.162 0.000 0.985 320 V HN 0.298 nan 8.190 nan 0.000 0.443 321 D N 6.511 126.967 120.400 0.092 0.000 2.619 321 D HA 0.213 4.992 4.640 0.231 0.000 0.224 321 D C -1.060 175.303 176.300 0.106 0.000 1.133 321 D CA 0.239 54.284 54.000 0.075 0.000 1.017 321 D CB -0.316 40.514 40.800 0.051 0.000 1.077 321 D HN 0.379 nan 8.370 nan 0.000 0.503 322 F N 1.539 121.411 119.950 -0.131 0.000 2.588 322 F HA 0.212 4.874 4.527 0.225 0.000 0.314 322 F C -1.033 174.580 175.800 -0.312 0.000 1.134 322 F CA -1.156 56.660 58.000 -0.306 0.000 0.961 322 F CB 1.599 40.273 39.000 -0.542 0.000 1.239 322 F HN -0.152 nan 8.300 nan 0.000 0.448 323 D N 5.843 125.655 120.400 -0.979 0.000 2.393 323 D HA 0.148 4.927 4.640 0.231 0.000 0.232 323 D C -0.624 175.058 176.300 -1.030 0.000 1.192 323 D CA 0.066 53.637 54.000 -0.715 0.000 0.882 323 D CB 0.064 40.565 40.800 -0.498 0.000 1.038 323 D HN 0.277 nan 8.370 nan 0.000 0.499 324 F N 4.373 124.034 119.950 -0.481 0.000 2.504 324 F HA 0.221 4.885 4.527 0.229 0.000 0.369 324 F C -1.232 174.415 175.800 -0.255 0.000 1.082 324 F CA -1.258 56.566 58.000 -0.293 0.000 1.216 324 F CB 0.357 39.346 39.000 -0.018 0.000 1.108 324 F HN 0.235 nan 8.300 nan 0.000 0.554 325 P HA 0.258 nan 4.420 nan 0.000 0.274 325 P C -0.323 177.010 177.300 0.055 0.000 1.237 325 P CA -0.402 62.676 63.100 -0.038 0.000 0.793 325 P CB 0.319 32.021 31.700 0.003 0.000 0.977 326 E N 1.629 121.839 120.200 0.016 0.000 2.437 326 E HA -0.044 4.445 4.350 0.231 0.000 0.263 326 E C 0.335 176.927 176.600 -0.013 0.000 1.030 326 E CA -0.310 56.090 56.400 -0.001 0.000 0.934 326 E CB -0.007 29.680 29.700 -0.021 0.000 0.943 326 E HN 0.446 nan 8.360 nan 0.000 0.444 327 R N 2.581 123.052 120.500 -0.047 0.000 2.421 327 R HA 0.129 4.608 4.340 0.231 0.000 0.305 327 R C -2.092 174.075 176.300 -0.222 0.000 1.039 327 R CA -1.220 54.809 56.100 -0.118 0.000 1.003 327 R CB -0.049 30.187 30.300 -0.107 0.000 0.959 327 R HN 0.411 nan 8.270 nan 0.000 0.427 328 P HA 0.033 nan 4.420 nan 0.000 0.269 328 P C -0.079 176.877 177.300 -0.573 0.000 1.209 328 P CA -0.284 62.439 63.100 -0.628 0.000 0.776 328 P CB 0.645 31.488 31.700 -1.428 0.000 0.876 329 D N 0.774 120.964 120.400 -0.351 0.000 2.116 329 D HA -0.104 4.675 4.640 0.231 0.000 0.193 329 D C 0.796 177.028 176.300 -0.113 0.000 0.998 329 D CA 1.086 54.989 54.000 -0.161 0.000 0.836 329 D CB -0.364 40.419 40.800 -0.029 0.000 0.951 329 D HN 0.512 nan 8.370 nan 0.000 0.449 330 W N 0.000 121.303 121.300 0.004 0.000 2.388 330 W HA 0.000 4.822 4.660 0.270 0.000 0.303 330 W CA 0.000 57.344 57.345 -0.001 0.000 1.226 330 W CB 0.000 29.455 29.460 -0.009 0.000 1.126 330 W HN 0.000 nan 8.180 nan 0.000 0.535