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 2wio_1_A DATA FIRST_RESID 19 DATA SEQUENCE DEVPGMADET ALLDWLGTMR EKQPVWQDRY GVWHVFRHAD VQTVLRDTAT DATA SEQUENCE FSSDPTRVIE GASPTPGMIH EIDPPEHRAL RKVVSSAFTP RTISDLEPRI DATA SEQUENCE RDVTRSLLAD AGESFDLVDV LAFPLPVTIV AELLGLPPMD HEQFGDWSGA DATA SEQUENCE LVDIQMDDPT DPALAERIAD VLNPLTAYLK ARCAERRADP GDDLISRLVL DATA SEQUENCE AEVDGRALDD EEAANFSTAL LLAGHITTTV LLGNIVRTLD EHPAHWDAAA DATA SEQUENCE EDPGRIPAIV EEVLRYRPPF PQMQRTTTKA TEVAGVPIPA DVMVNTWVLS DATA SEQUENCE ANRDSDAHDD PDRFDPSRKS GGAAQLSFGH GVHFCLGAPL ARLENRVALE DATA SEQUENCE EIIARFGRLT VDRDDERLRH FEQIVLGTRH LPVLAGSSPR QSA 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 19 D HA 0.000 nan 4.640 nan 0.000 0.175 19 D C 0.000 176.429 176.300 0.215 0.000 2.045 19 D CA 0.000 54.140 54.000 0.233 0.000 0.868 19 D CB 0.000 40.903 40.800 0.171 0.000 0.688 20 E N -0.193 120.052 120.200 0.076 0.000 2.266 20 E HA 0.489 4.865 4.350 0.043 0.000 0.268 20 E C -0.823 175.626 176.600 -0.251 0.000 0.879 20 E CA -0.707 55.691 56.400 -0.003 0.000 0.762 20 E CB 2.399 32.052 29.700 -0.077 0.000 1.199 20 E HN -0.132 nan 8.360 nan 0.000 0.422 21 V N 5.593 125.422 119.914 -0.141 0.000 2.455 21 V HA 0.268 4.414 4.120 0.043 0.000 0.273 21 V C -1.948 173.908 176.094 -0.397 0.000 1.045 21 V CA -1.355 60.689 62.300 -0.427 0.000 0.976 21 V CB 0.624 32.471 31.823 0.040 0.000 0.993 21 V HN 0.718 nan 8.190 nan 0.000 0.475 22 P HA 0.225 nan 4.420 nan 0.000 0.269 22 P C 0.396 177.627 177.300 -0.116 0.000 1.209 22 P CA 0.137 63.033 63.100 -0.341 0.000 0.776 22 P CB 0.528 32.000 31.700 -0.380 0.000 0.876 23 G N 1.579 110.352 108.800 -0.045 0.000 2.651 23 G HA2 0.165 4.151 3.960 0.043 0.000 0.260 23 G HA3 0.165 4.151 3.960 0.043 0.000 0.260 23 G C 0.891 175.837 174.900 0.077 0.000 1.216 23 G CA -0.495 44.626 45.100 0.035 0.000 0.913 23 G HN 0.321 nan 8.290 nan 0.000 0.535 24 M N 0.480 120.153 119.600 0.122 0.000 2.349 24 M HA 0.024 4.529 4.480 0.043 0.000 0.266 24 M C 2.732 179.110 176.300 0.130 0.000 1.076 24 M CA 1.122 56.520 55.300 0.162 0.000 1.126 24 M CB -1.297 31.421 32.600 0.197 0.000 1.392 24 M HN 0.616 nan 8.290 nan 0.000 0.440 25 A N -0.199 122.665 122.820 0.073 0.000 1.854 25 A HA -0.112 4.234 4.320 0.043 0.000 0.214 25 A C 1.205 178.695 177.584 -0.156 0.000 1.192 25 A CA 1.097 53.116 52.037 -0.031 0.000 0.611 25 A CB -0.632 18.339 19.000 -0.048 0.000 0.832 25 A HN 0.376 nan 8.150 nan 0.000 0.442 26 D N 0.233 120.578 120.400 -0.092 0.000 2.455 26 D HA 0.060 4.725 4.640 0.043 0.000 0.234 26 D C 1.008 177.283 176.300 -0.042 0.000 1.224 26 D CA 0.047 53.993 54.000 -0.091 0.000 0.999 26 D CB 0.324 41.082 40.800 -0.069 0.000 1.072 26 D HN 0.568 nan 8.370 nan 0.000 0.514 27 E N 1.673 121.850 120.200 -0.038 0.000 2.072 27 E HA -0.165 4.211 4.350 0.043 0.000 0.191 27 E C 1.065 177.666 176.600 0.002 0.000 0.985 27 E CA 1.051 57.459 56.400 0.014 0.000 0.801 27 E CB 0.408 30.132 29.700 0.041 0.000 0.750 27 E HN 0.373 nan 8.360 nan 0.000 0.452 28 T N 0.741 115.288 114.554 -0.012 0.000 2.708 28 T HA -0.152 4.224 4.350 0.043 0.000 0.266 28 T C 1.884 176.578 174.700 -0.010 0.000 1.037 28 T CA 1.497 63.590 62.100 -0.012 0.000 1.146 28 T CB -0.366 68.495 68.868 -0.012 0.000 0.865 28 T HN 0.345 nan 8.240 nan 0.000 0.435 29 A N 1.203 124.014 122.820 -0.015 0.000 1.940 29 A HA -0.016 4.330 4.320 0.043 0.000 0.219 29 A C 2.309 179.902 177.584 0.014 0.000 1.176 29 A CA 1.170 53.200 52.037 -0.012 0.000 0.631 29 A CB -0.894 18.085 19.000 -0.036 0.000 0.814 29 A HN 0.476 nan 8.150 nan 0.000 0.446 30 L N -0.652 120.581 121.223 0.016 0.000 1.976 30 L HA -0.185 4.181 4.340 0.043 0.000 0.209 30 L C 2.562 179.471 176.870 0.065 0.000 1.071 30 L CA 1.849 56.723 54.840 0.056 0.000 0.746 30 L CB -0.407 41.696 42.059 0.073 0.000 0.890 30 L HN 0.438 nan 8.230 nan 0.000 0.432 31 L N -0.380 120.854 121.223 0.019 0.000 2.083 31 L HA -0.269 4.097 4.340 0.043 0.000 0.209 31 L C 2.263 179.105 176.870 -0.048 0.000 1.083 31 L CA 1.244 56.072 54.840 -0.020 0.000 0.752 31 L CB -0.674 41.362 42.059 -0.039 0.000 0.899 31 L HN 0.311 nan 8.230 nan 0.000 0.433 32 D N -0.930 119.455 120.400 -0.025 0.000 2.097 32 D HA -0.240 4.426 4.640 0.043 0.000 0.195 32 D C 1.685 177.940 176.300 -0.075 0.000 0.989 32 D CA 1.166 55.140 54.000 -0.043 0.000 0.827 32 D CB -0.262 40.526 40.800 -0.019 0.000 0.966 32 D HN 0.416 nan 8.370 nan 0.000 0.456 33 W N 1.601 122.762 121.300 -0.230 0.000 2.378 33 W HA -0.094 4.594 4.660 0.046 0.000 0.313 33 W C 2.058 178.309 176.519 -0.446 0.000 1.197 33 W CA 1.110 58.260 57.345 -0.326 0.000 1.304 33 W CB -0.537 28.726 29.460 -0.330 0.000 1.148 33 W HN -0.101 nan 8.180 nan 0.000 0.494 34 L N 0.716 121.637 121.223 -0.502 0.000 2.043 34 L HA -0.179 4.187 4.340 0.043 0.000 0.212 34 L C 2.698 179.184 176.870 -0.641 0.000 1.075 34 L CA 1.625 55.996 54.840 -0.782 0.000 0.752 34 L CB -1.673 40.184 42.059 -0.337 0.000 0.891 34 L HN 0.272 nan 8.230 nan 0.000 0.432 35 G N -0.159 108.413 108.800 -0.380 0.000 2.440 35 G HA2 -0.316 3.670 3.960 0.043 0.000 0.218 35 G HA3 -0.316 3.670 3.960 0.043 0.000 0.218 35 G C 1.707 176.397 174.900 -0.350 0.000 1.154 35 G CA 1.456 46.389 45.100 -0.279 0.000 0.767 35 G HN 0.478 nan 8.290 nan 0.000 0.552 36 T N -1.196 113.098 114.554 -0.433 0.000 2.821 36 T HA -0.059 4.317 4.350 0.043 0.000 0.267 36 T C 2.373 176.719 174.700 -0.590 0.000 1.046 36 T CA 1.484 63.324 62.100 -0.433 0.000 1.139 36 T CB -0.205 68.433 68.868 -0.384 0.000 0.871 36 T HN 0.071 nan 8.240 nan 0.000 0.454 37 M N 1.080 120.096 119.600 -0.974 0.000 2.132 37 M HA 0.136 4.642 4.480 0.043 0.000 0.263 37 M C 2.522 178.418 176.300 -0.674 0.000 1.065 37 M CA 1.205 55.810 55.300 -1.159 0.000 1.122 37 M CB -1.074 30.085 32.600 -2.401 0.000 1.365 37 M HN 0.320 nan 8.290 nan 0.000 0.411 38 R N 0.213 120.402 120.500 -0.517 0.000 2.120 38 R HA -0.165 4.201 4.340 0.043 0.000 0.234 38 R C 2.179 178.394 176.300 -0.142 0.000 1.123 38 R CA 1.541 57.524 56.100 -0.196 0.000 0.975 38 R CB -0.190 30.034 30.300 -0.126 0.000 0.866 38 R HN 0.578 nan 8.270 nan 0.000 0.446 39 E N 0.379 120.462 120.200 -0.194 0.000 2.086 39 E HA -0.116 4.260 4.350 0.043 0.000 0.190 39 E C 1.211 177.735 176.600 -0.126 0.000 0.975 39 E CA 0.773 57.093 56.400 -0.134 0.000 0.813 39 E CB 0.349 29.970 29.700 -0.131 0.000 0.768 39 E HN -0.016 nan 8.360 nan 0.000 0.457 40 K N -0.293 119.996 120.400 -0.185 0.000 2.348 40 K HA 0.118 4.464 4.320 0.043 0.000 0.194 40 K C 0.314 176.851 176.600 -0.104 0.000 1.052 40 K CA 0.318 56.522 56.287 -0.139 0.000 1.004 40 K CB 0.890 33.293 32.500 -0.162 0.000 0.873 40 K HN 0.048 nan 8.250 nan 0.000 0.523 41 Q N 0.316 120.028 119.800 -0.147 0.000 3.825 41 Q HA 0.165 4.531 4.340 0.043 0.000 0.218 41 Q C -2.367 173.674 176.000 0.069 0.000 0.882 41 Q CA -0.966 54.821 55.803 -0.028 0.000 0.766 41 Q CB 1.353 30.057 28.738 -0.056 0.000 1.497 41 Q HN -0.136 nan 8.270 nan 0.000 0.428 42 P HA -0.044 nan 4.420 nan 0.000 0.226 42 P C -0.204 177.368 177.300 0.454 0.000 1.153 42 P CA 0.572 63.839 63.100 0.278 0.000 0.777 42 P CB 0.505 32.300 31.700 0.159 0.000 0.794 43 V N 0.389 120.555 119.914 0.420 0.000 2.447 43 V HA 0.385 4.531 4.120 0.043 0.000 0.292 43 V C -1.240 175.220 176.094 0.609 0.000 1.021 43 V CA -0.605 61.984 62.300 0.481 0.000 0.850 43 V CB 1.843 33.895 31.823 0.383 0.000 1.005 43 V HN 0.056 nan 8.190 nan 0.000 0.426 44 W N 4.679 126.240 121.300 0.435 0.000 2.785 44 W HA 0.590 5.278 4.660 0.047 0.000 0.333 44 W C -0.553 176.013 176.519 0.078 0.000 1.062 44 W CA -0.591 56.922 57.345 0.279 0.000 1.233 44 W CB 1.788 31.484 29.460 0.393 0.000 1.413 44 W HN 0.578 nan 8.180 nan 0.000 0.489 45 Q N 5.151 124.453 119.800 -0.829 0.000 2.340 45 Q HA 0.202 4.568 4.340 0.043 0.000 0.259 45 Q C -0.078 175.100 176.000 -1.371 0.000 0.964 45 Q CA -0.563 54.444 55.803 -1.326 0.000 0.900 45 Q CB 0.976 28.654 28.738 -1.766 0.000 1.228 45 Q HN 0.597 nan 8.270 nan 0.000 0.449 46 D N 2.540 122.232 120.400 -1.179 0.000 2.414 46 D HA -0.030 4.636 4.640 0.043 0.000 0.251 46 D C 0.879 176.871 176.300 -0.513 0.000 1.252 46 D CA -0.336 53.018 54.000 -1.077 0.000 0.999 46 D CB 0.543 40.961 40.800 -0.637 0.000 1.093 46 D HN 0.705 nan 8.370 nan 0.000 0.515 47 R N -0.878 119.415 120.500 -0.344 0.000 2.280 47 R HA -0.089 4.277 4.340 0.043 0.000 0.207 47 R C 0.615 176.681 176.300 -0.389 0.000 1.043 47 R CA 0.827 56.715 56.100 -0.353 0.000 1.006 47 R CB -0.622 29.442 30.300 -0.393 0.000 0.885 47 R HN 0.488 nan 8.270 nan 0.000 0.467 48 Y N 0.500 120.723 120.300 -0.128 0.000 2.457 48 Y HA 0.323 4.898 4.550 0.042 0.000 0.263 48 Y C 1.480 177.322 175.900 -0.096 0.000 1.164 48 Y CA 0.275 58.329 58.100 -0.078 0.000 1.274 48 Y CB 0.779 39.218 38.460 -0.034 0.000 1.097 48 Y HN 0.348 nan 8.280 nan 0.000 0.523 49 G N 0.552 109.305 108.800 -0.079 0.000 2.153 49 G HA2 -0.272 3.713 3.960 0.043 0.000 0.252 49 G HA3 -0.272 3.713 3.960 0.043 0.000 0.252 49 G C -0.190 174.656 174.900 -0.090 0.000 0.994 49 G CA 0.254 45.279 45.100 -0.125 0.000 0.698 49 G HN 0.146 nan 8.290 nan 0.000 0.521 50 V N -0.048 119.814 119.914 -0.087 0.000 2.465 50 V HA 0.609 4.755 4.120 0.043 0.000 0.279 50 V C 0.301 176.305 176.094 -0.149 0.000 1.045 50 V CA -0.613 61.664 62.300 -0.038 0.000 0.938 50 V CB 1.000 32.808 31.823 -0.024 0.000 0.986 50 V HN 0.293 nan 8.190 nan 0.000 0.467 51 W N 3.799 125.061 121.300 -0.063 0.000 2.390 51 W HA 0.504 5.188 4.660 0.041 0.000 0.312 51 W C 0.367 176.847 176.519 -0.064 0.000 1.123 51 W CA -0.246 57.109 57.345 0.016 0.000 1.202 51 W CB 0.554 30.034 29.460 0.033 0.000 1.251 51 W HN 0.514 nan 8.180 nan 0.000 0.511 52 H N 2.083 121.337 119.070 0.306 0.000 2.495 52 H HA 0.565 5.146 4.556 0.042 0.000 0.348 52 H C -0.907 174.358 175.328 -0.105 0.000 1.113 52 H CA -0.816 55.338 56.048 0.176 0.000 1.195 52 H CB 2.171 32.209 29.762 0.461 0.000 1.521 52 H HN 0.049 nan 8.280 nan 0.000 0.509 53 V N 4.619 124.429 119.914 -0.173 0.000 2.483 53 V HA 0.111 4.257 4.120 0.043 0.000 0.297 53 V C -0.314 175.634 176.094 -0.242 0.000 1.027 53 V CA -0.248 61.965 62.300 -0.145 0.000 0.855 53 V CB 1.183 32.969 31.823 -0.061 0.000 0.995 53 V HN 0.715 nan 8.190 nan 0.000 0.424 54 F N 2.016 122.077 119.950 0.184 0.000 2.680 54 F HA 0.379 4.930 4.527 0.041 0.000 0.290 54 F C 1.354 177.196 175.800 0.069 0.000 1.114 54 F CA -0.312 57.745 58.000 0.096 0.000 1.333 54 F CB 0.429 39.376 39.000 -0.088 0.000 1.091 54 F HN 0.282 nan 8.300 nan 0.000 0.606 55 R N 0.211 120.836 120.500 0.208 0.000 2.457 55 R HA 0.149 4.514 4.340 0.043 0.000 0.284 55 R C 1.140 177.522 176.300 0.136 0.000 1.024 55 R CA -0.508 55.686 56.100 0.156 0.000 1.025 55 R CB 0.717 31.088 30.300 0.117 0.000 1.063 55 R HN 0.103 nan 8.270 nan 0.000 0.493 56 H N 2.303 121.402 119.070 0.048 0.000 2.352 56 H HA -0.150 4.436 4.556 0.051 0.000 0.299 56 H C 1.473 176.786 175.328 -0.025 0.000 1.097 56 H CA 2.397 58.456 56.048 0.018 0.000 1.311 56 H CB 0.318 30.085 29.762 0.009 0.000 1.377 56 H HN 0.751 nan 8.280 nan 0.000 0.504 57 A N 0.889 123.796 122.820 0.146 0.000 1.902 57 A HA -0.168 4.178 4.320 0.043 0.000 0.217 57 A C 2.146 179.713 177.584 -0.028 0.000 1.181 57 A CA 1.827 53.905 52.037 0.068 0.000 0.623 57 A CB -0.275 18.765 19.000 0.067 0.000 0.818 57 A HN 0.465 nan 8.150 nan 0.000 0.443 58 D N -0.449 119.940 120.400 -0.019 0.000 2.162 58 D HA -0.045 4.621 4.640 0.043 0.000 0.203 58 D C 2.092 178.315 176.300 -0.128 0.000 0.967 58 D CA 1.167 55.137 54.000 -0.050 0.000 0.840 58 D CB -0.477 40.322 40.800 -0.001 0.000 0.972 58 D HN 0.208 nan 8.370 nan 0.000 0.482 59 V N 1.056 120.892 119.914 -0.129 0.000 2.287 59 V HA -0.275 3.871 4.120 0.043 0.000 0.248 59 V C 2.642 178.605 176.094 -0.219 0.000 1.053 59 V CA 1.777 63.974 62.300 -0.172 0.000 1.027 59 V CB -0.550 31.189 31.823 -0.141 0.000 0.646 59 V HN 0.191 nan 8.190 nan 0.000 0.447 60 Q N -0.475 119.154 119.800 -0.286 0.000 2.061 60 Q HA -0.230 4.136 4.340 0.043 0.000 0.204 60 Q C 2.286 178.201 176.000 -0.142 0.000 0.984 60 Q CA 2.417 58.029 55.803 -0.319 0.000 0.846 60 Q CB -0.230 28.262 28.738 -0.409 0.000 0.902 60 Q HN 0.672 nan 8.270 nan 0.000 0.421 61 T N 0.144 114.626 114.554 -0.120 0.000 2.684 61 T HA -0.147 4.229 4.350 0.043 0.000 0.267 61 T C 1.848 176.465 174.700 -0.137 0.000 1.036 61 T CA 1.517 63.574 62.100 -0.072 0.000 1.148 61 T CB -0.323 68.511 68.868 -0.056 0.000 0.863 61 T HN 0.124 nan 8.240 nan 0.000 0.436 62 V N 1.538 121.240 119.914 -0.354 0.000 2.287 62 V HA -0.145 4.001 4.120 0.043 0.000 0.248 62 V C 2.454 178.378 176.094 -0.283 0.000 1.053 62 V CA 1.624 63.484 62.300 -0.734 0.000 1.027 62 V CB -0.663 30.642 31.823 -0.865 0.000 0.646 62 V HN 0.455 nan 8.190 nan 0.000 0.447 63 L N -0.918 120.237 121.223 -0.113 0.000 2.217 63 L HA -0.065 4.301 4.340 0.043 0.000 0.211 63 L C 2.675 179.630 176.870 0.141 0.000 1.107 63 L CA 1.137 56.003 54.840 0.044 0.000 0.783 63 L CB -0.499 41.627 42.059 0.111 0.000 0.919 63 L HN 0.230 nan 8.230 nan 0.000 0.442 64 R N -0.319 120.274 120.500 0.155 0.000 2.119 64 R HA -0.078 4.288 4.340 0.043 0.000 0.222 64 R C 0.540 176.919 176.300 0.132 0.000 1.088 64 R CA 0.621 56.812 56.100 0.151 0.000 0.984 64 R CB -0.097 30.298 30.300 0.158 0.000 0.884 64 R HN 0.097 nan 8.270 nan 0.000 0.447 65 D N 0.715 121.217 120.400 0.170 0.000 2.563 65 D HA -0.010 4.656 4.640 0.043 0.000 0.222 65 D C 0.840 177.291 176.300 0.252 0.000 1.145 65 D CA 0.014 54.151 54.000 0.228 0.000 1.001 65 D CB 0.804 41.803 40.800 0.333 0.000 1.049 65 D HN 0.152 nan 8.370 nan 0.000 0.515 66 T N -0.511 114.131 114.554 0.147 0.000 2.985 66 T HA -0.008 4.368 4.350 0.043 0.000 0.266 66 T C 1.896 176.635 174.700 0.065 0.000 1.076 66 T CA 0.702 62.873 62.100 0.119 0.000 1.135 66 T CB 0.027 68.948 68.868 0.089 0.000 0.890 66 T HN 0.171 nan 8.240 nan 0.000 0.480 67 A N 1.723 124.565 122.820 0.038 0.000 1.902 67 A HA -0.024 4.322 4.320 0.043 0.000 0.217 67 A C 2.569 180.107 177.584 -0.076 0.000 1.181 67 A CA 2.102 54.132 52.037 -0.012 0.000 0.623 67 A CB -1.285 17.709 19.000 -0.011 0.000 0.818 67 A HN 0.556 nan 8.150 nan 0.000 0.443 68 T N -1.190 113.287 114.554 -0.128 0.000 2.939 68 T HA 0.173 4.549 4.350 0.043 0.000 0.254 68 T C -0.062 174.320 174.700 -0.531 0.000 1.041 68 T CA 0.581 62.438 62.100 -0.406 0.000 1.142 68 T CB -0.187 68.269 68.868 -0.686 0.000 0.874 68 T HN 0.284 nan 8.240 nan 0.000 0.452 69 F N 2.263 122.192 119.950 -0.035 0.000 2.291 69 F HA 0.518 5.073 4.527 0.046 0.000 0.368 69 F C 0.578 176.351 175.800 -0.045 0.000 1.085 69 F CA -0.943 57.030 58.000 -0.045 0.000 1.165 69 F CB 0.681 39.655 39.000 -0.043 0.000 1.429 69 F HN -0.061 nan 8.300 nan 0.000 0.503 70 S N 0.912 116.644 115.700 0.053 0.000 2.580 70 S HA 0.186 4.682 4.470 0.043 0.000 0.274 70 S C 1.175 175.762 174.600 -0.021 0.000 1.329 70 S CA -0.448 57.758 58.200 0.010 0.000 1.036 70 S CB 1.082 64.267 63.200 -0.025 0.000 0.919 70 S HN 0.531 nan 8.310 nan 0.000 0.515 71 S N 1.801 117.465 115.700 -0.061 0.000 2.575 71 S HA 0.116 4.612 4.470 0.043 0.000 0.215 71 S C -0.035 174.491 174.600 -0.124 0.000 0.966 71 S CA -0.090 58.016 58.200 -0.157 0.000 0.911 71 S CB -0.083 62.901 63.200 -0.360 0.000 0.780 71 S HN 0.764 nan 8.310 nan 0.000 0.514 72 D N 1.396 121.753 120.400 -0.071 0.000 2.479 72 D HA 0.309 4.975 4.640 0.043 0.000 0.247 72 D C -2.109 174.158 176.300 -0.055 0.000 1.119 72 D CA -2.393 51.570 54.000 -0.062 0.000 0.922 72 D CB 1.264 42.045 40.800 -0.032 0.000 1.014 72 D HN -0.045 nan 8.370 nan 0.000 0.510 73 P HA -0.145 nan 4.420 nan 0.000 0.218 73 P C 1.395 178.671 177.300 -0.040 0.000 1.146 73 P CA 1.291 64.362 63.100 -0.050 0.000 0.813 73 P CB 0.081 31.748 31.700 -0.054 0.000 0.778 74 T N -2.780 111.750 114.554 -0.040 0.000 2.995 74 T HA -0.129 4.246 4.350 0.043 0.000 0.269 74 T C 1.918 176.601 174.700 -0.027 0.000 1.091 74 T CA 0.654 62.735 62.100 -0.031 0.000 1.128 74 T CB -0.636 68.215 68.868 -0.030 0.000 0.891 74 T HN 0.018 nan 8.240 nan 0.000 0.492 75 R N 1.242 121.725 120.500 -0.029 0.000 2.119 75 R HA -0.096 4.270 4.340 0.043 0.000 0.246 75 R C 2.100 178.382 176.300 -0.029 0.000 1.146 75 R CA 2.034 58.118 56.100 -0.027 0.000 0.962 75 R CB -0.641 29.642 30.300 -0.028 0.000 0.863 75 R HN 0.537 nan 8.270 nan 0.000 0.442 76 V N -1.204 118.691 119.914 -0.032 0.000 3.563 76 V HA 0.319 4.465 4.120 0.043 0.000 0.299 76 V C 0.396 176.475 176.094 -0.024 0.000 1.290 76 V CA 0.116 62.398 62.300 -0.031 0.000 1.201 76 V CB -0.400 31.401 31.823 -0.036 0.000 1.045 76 V HN 0.081 nan 8.190 nan 0.000 0.425 77 I N 1.931 122.488 120.570 -0.022 0.000 2.447 77 I HA 0.361 4.557 4.170 0.043 0.000 0.287 77 I C -0.041 176.066 176.117 -0.016 0.000 1.023 77 I CA -0.907 60.382 61.300 -0.018 0.000 1.083 77 I CB 2.093 40.083 38.000 -0.017 0.000 1.245 77 I HN 0.343 nan 8.210 nan 0.000 0.434 78 E N 5.586 125.778 120.200 -0.014 0.000 2.606 78 E HA 0.247 4.623 4.350 0.043 0.000 0.248 78 E C 1.009 177.602 176.600 -0.011 0.000 1.005 78 E CA 0.504 56.897 56.400 -0.012 0.000 0.946 78 E CB 0.082 29.776 29.700 -0.010 0.000 0.928 78 E HN 0.889 nan 8.360 nan 0.000 0.494 79 G N 1.840 110.633 108.800 -0.011 0.000 2.159 79 G HA2 -0.230 3.756 3.960 0.043 0.000 0.256 79 G HA3 -0.230 3.756 3.960 0.043 0.000 0.256 79 G C 0.222 175.116 174.900 -0.010 0.000 0.977 79 G CA -0.104 44.990 45.100 -0.010 0.000 0.652 79 G HN 1.097 nan 8.290 nan 0.000 0.531 80 A N -0.240 122.573 122.820 -0.012 0.000 2.324 80 A HA 0.946 5.292 4.320 0.043 0.000 0.330 80 A C 0.314 177.889 177.584 -0.015 0.000 1.165 80 A CA 0.602 52.631 52.037 -0.014 0.000 0.813 80 A CB 1.441 20.431 19.000 -0.016 0.000 1.197 80 A HN 1.768 nan 8.150 nan 0.000 0.484 81 S N 1.376 117.068 115.700 -0.014 0.000 2.588 81 S HA 0.814 5.310 4.470 0.043 0.000 0.275 81 S C -3.165 171.425 174.600 -0.016 0.000 1.130 81 S CA -1.387 56.805 58.200 -0.013 0.000 0.855 81 S CB 1.092 64.287 63.200 -0.009 0.000 1.116 81 S HN 0.496 nan 8.310 nan 0.000 0.472 82 P HA 0.323 nan 4.420 nan 0.000 0.274 82 P C -0.553 176.739 177.300 -0.014 0.000 1.231 82 P CA -0.306 62.781 63.100 -0.022 0.000 0.790 82 P CB 0.002 31.692 31.700 -0.018 0.000 0.951 83 T N 4.048 118.591 114.554 -0.018 0.000 2.829 83 T HA 0.167 4.543 4.350 0.043 0.000 0.293 83 T C -2.098 172.609 174.700 0.013 0.000 0.970 83 T CA -0.552 61.546 62.100 -0.004 0.000 1.168 83 T CB -0.629 68.236 68.868 -0.004 0.000 0.911 83 T HN 0.322 nan 8.240 nan 0.000 0.535 84 P HA 0.295 nan 4.420 nan 0.000 0.269 84 P C 1.104 178.436 177.300 0.054 0.000 1.209 84 P CA 0.352 63.468 63.100 0.028 0.000 0.776 84 P CB 0.389 32.100 31.700 0.019 0.000 0.876 85 G N 1.304 110.145 108.800 0.068 0.000 2.199 85 G HA2 -0.218 3.768 3.960 0.043 0.000 0.254 85 G HA3 -0.218 3.768 3.960 0.043 0.000 0.254 85 G C 0.184 175.204 174.900 0.199 0.000 0.982 85 G CA -0.284 44.890 45.100 0.123 0.000 0.632 85 G HN 0.446 nan 8.290 nan 0.000 0.529 86 M N 1.063 120.751 119.600 0.146 0.000 3.117 86 M HA 0.447 4.952 4.480 0.043 0.000 0.292 86 M C 1.652 178.062 176.300 0.183 0.000 1.357 86 M CA -0.973 54.431 55.300 0.173 0.000 1.463 86 M CB -0.350 32.272 32.600 0.037 0.000 1.105 86 M HN 0.310 nan 8.290 nan 0.000 0.553 87 I N 2.202 122.964 120.570 0.319 0.000 2.315 87 I HA -0.346 3.850 4.170 0.043 0.000 0.251 87 I C 2.474 178.870 176.117 0.466 0.000 1.125 87 I CA 1.617 63.135 61.300 0.362 0.000 1.392 87 I CB 0.015 38.224 38.000 0.349 0.000 1.065 87 I HN 0.644 nan 8.210 nan 0.000 0.424 88 H N -0.230 118.983 119.070 0.239 0.000 2.551 88 H HA 0.065 4.647 4.556 0.043 0.000 0.266 88 H C 0.925 176.242 175.328 -0.018 0.000 0.977 88 H CA 0.538 56.663 56.048 0.128 0.000 1.163 88 H CB -0.403 29.389 29.762 0.050 0.000 1.381 88 H HN 0.511 nan 8.280 nan 0.000 0.581 89 E N 0.935 120.947 120.200 -0.313 0.000 2.548 89 E HA 0.252 4.628 4.350 0.043 0.000 0.206 89 E C 0.209 176.762 176.600 -0.078 0.000 1.005 89 E CA -0.206 56.022 56.400 -0.286 0.000 0.951 89 E CB 0.651 30.126 29.700 -0.376 0.000 1.035 89 E HN 0.585 nan 8.360 nan 0.000 0.470 90 I N -2.972 117.637 120.570 0.064 0.000 2.828 90 I HA 0.527 4.723 4.170 0.043 0.000 0.302 90 I C -0.966 175.256 176.117 0.175 0.000 1.101 90 I CA -1.098 60.268 61.300 0.110 0.000 1.031 90 I CB 2.295 40.369 38.000 0.123 0.000 1.231 90 I HN -0.352 nan 8.210 nan 0.000 0.427 91 D N 3.901 124.372 120.400 0.118 0.000 2.272 91 D HA 0.472 5.138 4.640 0.043 0.000 0.247 91 D C -2.595 173.773 176.300 0.114 0.000 0.990 91 D CA -1.352 52.710 54.000 0.103 0.000 0.931 91 D CB 1.661 42.495 40.800 0.056 0.000 1.195 91 D HN 0.348 nan 8.370 nan 0.000 0.477 92 P HA 0.022 nan 4.420 nan 0.000 0.266 92 P C -1.639 175.690 177.300 0.050 0.000 1.193 92 P CA -0.655 62.493 63.100 0.080 0.000 0.770 92 P CB 0.198 31.931 31.700 0.055 0.000 0.836 93 P HA -0.135 nan 4.420 nan 0.000 0.222 93 P C 1.065 178.385 177.300 0.033 0.000 1.153 93 P CA 1.335 64.454 63.100 0.031 0.000 0.798 93 P CB 0.014 31.722 31.700 0.014 0.000 0.796 94 E N 0.212 120.435 120.200 0.040 0.000 2.153 94 E HA -0.250 4.126 4.350 0.043 0.000 0.194 94 E C 2.085 178.705 176.600 0.034 0.000 0.988 94 E CA 1.066 57.483 56.400 0.028 0.000 0.811 94 E CB -1.765 27.953 29.700 0.030 0.000 0.746 94 E HN 0.473 nan 8.360 nan 0.000 0.466 95 H N 2.348 121.412 119.070 -0.010 0.000 2.319 95 H HA -0.080 4.501 4.556 0.043 0.000 0.297 95 H C 1.889 177.188 175.328 -0.049 0.000 1.097 95 H CA 2.029 58.063 56.048 -0.022 0.000 1.285 95 H CB 0.238 29.972 29.762 -0.047 0.000 1.368 95 H HN -0.005 nan 8.280 nan 0.000 0.495 96 R N 0.740 121.179 120.500 -0.101 0.000 2.083 96 R HA -0.080 4.286 4.340 0.043 0.000 0.237 96 R C 2.630 178.843 176.300 -0.145 0.000 1.137 96 R CA 1.083 57.100 56.100 -0.138 0.000 0.951 96 R CB -1.299 28.982 30.300 -0.030 0.000 0.851 96 R HN 0.419 nan 8.270 nan 0.000 0.434 97 A N 1.598 124.364 122.820 -0.091 0.000 1.873 97 A HA -0.185 4.161 4.320 0.043 0.000 0.218 97 A C 2.313 179.830 177.584 -0.113 0.000 1.193 97 A CA 1.592 53.581 52.037 -0.080 0.000 0.629 97 A CB -0.661 18.309 19.000 -0.049 0.000 0.826 97 A HN 0.234 nan 8.150 nan 0.000 0.447 98 L N -0.625 120.518 121.223 -0.135 0.000 2.044 98 L HA -0.040 4.326 4.340 0.043 0.000 0.205 98 L C 2.523 179.259 176.870 -0.224 0.000 1.075 98 L CA 2.289 57.035 54.840 -0.157 0.000 0.747 98 L CB -0.513 41.476 42.059 -0.117 0.000 0.903 98 L HN 0.467 nan 8.230 nan 0.000 0.435 99 R N -0.613 119.704 120.500 -0.305 0.000 2.105 99 R HA -0.233 4.133 4.340 0.043 0.000 0.239 99 R C 2.247 178.434 176.300 -0.188 0.000 1.135 99 R CA 1.667 57.590 56.100 -0.295 0.000 0.967 99 R CB -0.079 29.957 30.300 -0.440 0.000 0.861 99 R HN 0.176 nan 8.270 nan 0.000 0.442 100 K N -0.416 119.887 120.400 -0.161 0.000 2.026 100 K HA -0.080 4.265 4.320 0.043 0.000 0.208 100 K C 1.848 178.387 176.600 -0.103 0.000 1.048 100 K CA 1.518 57.742 56.287 -0.106 0.000 0.929 100 K CB -0.169 32.280 32.500 -0.086 0.000 0.713 100 K HN 0.009 nan 8.250 nan 0.000 0.439 101 V N -0.171 119.668 119.914 -0.125 0.000 2.261 101 V HA -0.236 3.909 4.120 0.043 0.000 0.246 101 V C 2.151 178.152 176.094 -0.155 0.000 1.047 101 V CA 1.691 63.918 62.300 -0.123 0.000 1.015 101 V CB -0.480 31.265 31.823 -0.130 0.000 0.642 101 V HN 0.091 nan 8.190 nan 0.000 0.446 102 V N -0.013 119.747 119.914 -0.257 0.000 2.332 102 V HA -0.255 3.891 4.120 0.043 0.000 0.248 102 V C 2.614 178.628 176.094 -0.132 0.000 1.055 102 V CA 2.480 64.545 62.300 -0.391 0.000 1.038 102 V CB -0.408 30.913 31.823 -0.837 0.000 0.651 102 V HN 0.590 nan 8.190 nan 0.000 0.450 103 S N 0.247 115.912 115.700 -0.060 0.000 2.419 103 S HA -0.168 4.328 4.470 0.043 0.000 0.233 103 S C 2.126 176.748 174.600 0.037 0.000 1.016 103 S CA 1.513 59.742 58.200 0.049 0.000 0.974 103 S CB -0.307 62.906 63.200 0.021 0.000 0.786 103 S HN 0.851 nan 8.310 nan 0.000 0.492 104 S N 1.550 117.246 115.700 -0.007 0.000 2.453 104 S HA 0.140 4.636 4.470 0.043 0.000 0.231 104 S C 1.784 176.391 174.600 0.012 0.000 1.005 104 S CA 0.674 58.869 58.200 -0.008 0.000 0.949 104 S CB -0.231 62.953 63.200 -0.026 0.000 0.774 104 S HN 0.484 nan 8.310 nan 0.000 0.510 105 A N 0.856 123.698 122.820 0.037 0.000 1.871 105 A HA 0.401 4.747 4.320 0.043 0.000 0.211 105 A C 0.772 178.450 177.584 0.157 0.000 1.207 105 A CA 0.197 52.281 52.037 0.079 0.000 0.620 105 A CB -0.551 18.495 19.000 0.076 0.000 0.860 105 A HN 0.578 nan 8.150 nan 0.000 0.450 106 F N 2.619 122.590 119.950 0.035 0.000 2.334 106 F HA 0.459 5.011 4.527 0.042 0.000 0.365 106 F C 0.539 176.361 175.800 0.037 0.000 1.124 106 F CA -0.168 57.872 58.000 0.066 0.000 1.166 106 F CB 0.507 39.595 39.000 0.148 0.000 1.355 106 F HN 0.173 nan 8.300 nan 0.000 0.532 107 T N 2.996 117.407 114.554 -0.239 0.000 2.950 107 T HA 0.487 4.863 4.350 0.043 0.000 0.288 107 T C -2.057 172.485 174.700 -0.263 0.000 1.035 107 T CA -2.204 59.787 62.100 -0.181 0.000 1.028 107 T CB 1.909 70.722 68.868 -0.091 0.000 1.109 107 T HN 0.200 nan 8.240 nan 0.000 0.514 108 P HA -0.039 nan 4.420 nan 0.000 0.216 108 P C 1.546 178.767 177.300 -0.131 0.000 1.150 108 P CA 0.894 63.907 63.100 -0.145 0.000 0.843 108 P CB 0.089 31.738 31.700 -0.085 0.000 0.787 109 R N -0.957 119.481 120.500 -0.105 0.000 2.090 109 R HA -0.041 4.325 4.340 0.043 0.000 0.228 109 R C 2.102 178.346 176.300 -0.093 0.000 1.110 109 R CA 1.704 57.756 56.100 -0.080 0.000 0.973 109 R CB -1.251 29.016 30.300 -0.055 0.000 0.869 109 R HN 0.024 nan 8.270 nan 0.000 0.440 110 T N 1.077 115.555 114.554 -0.126 0.000 2.653 110 T HA -0.186 4.189 4.350 0.043 0.000 0.268 110 T C 1.673 176.280 174.700 -0.155 0.000 1.035 110 T CA 1.905 63.925 62.100 -0.134 0.000 1.154 110 T CB -0.183 68.582 68.868 -0.172 0.000 0.862 110 T HN 0.196 nan 8.240 nan 0.000 0.441 111 I N 1.503 121.929 120.570 -0.239 0.000 2.233 111 I HA -0.147 4.049 4.170 0.043 0.000 0.243 111 I C 2.885 178.948 176.117 -0.091 0.000 1.093 111 I CA 1.529 62.715 61.300 -0.191 0.000 1.380 111 I CB -0.743 37.102 38.000 -0.257 0.000 1.067 111 I HN 0.348 nan 8.210 nan 0.000 0.413 112 S N 0.498 116.149 115.700 -0.083 0.000 2.399 112 S HA -0.189 4.306 4.470 0.043 0.000 0.231 112 S C 1.464 176.047 174.600 -0.030 0.000 1.022 112 S CA 1.308 59.481 58.200 -0.046 0.000 0.983 112 S CB -0.529 62.646 63.200 -0.042 0.000 0.803 112 S HN 0.357 nan 8.310 nan 0.000 0.480 113 D N 1.609 121.988 120.400 -0.034 0.000 2.350 113 D HA 0.067 4.733 4.640 0.043 0.000 0.216 113 D C 1.583 177.878 176.300 -0.009 0.000 0.968 113 D CA 0.515 54.504 54.000 -0.019 0.000 0.894 113 D CB -0.316 40.472 40.800 -0.020 0.000 0.909 113 D HN 0.432 nan 8.370 nan 0.000 0.520 114 L N 0.357 121.574 121.223 -0.010 0.000 2.395 114 L HA -0.019 4.347 4.340 0.043 0.000 0.218 114 L C 2.271 179.148 176.870 0.012 0.000 1.130 114 L CA 0.336 55.180 54.840 0.005 0.000 0.826 114 L CB -0.142 41.923 42.059 0.010 0.000 0.941 114 L HN -0.025 nan 8.230 nan 0.000 0.451 115 E N 1.108 121.313 120.200 0.008 0.000 2.065 115 E HA -0.254 4.122 4.350 0.043 0.000 0.201 115 E C -0.616 175.995 176.600 0.018 0.000 1.016 115 E CA 1.920 58.329 56.400 0.015 0.000 0.818 115 E CB -0.582 29.125 29.700 0.012 0.000 0.749 115 E HN 0.296 nan 8.360 nan 0.000 0.453 116 P HA -0.152 nan 4.420 nan 0.000 0.217 116 P C 1.128 178.439 177.300 0.019 0.000 1.150 116 P CA 1.162 64.272 63.100 0.015 0.000 0.832 116 P CB -0.042 31.665 31.700 0.011 0.000 0.787 117 R N -0.462 120.051 120.500 0.021 0.000 2.075 117 R HA -0.018 4.348 4.340 0.043 0.000 0.232 117 R C 2.313 178.632 176.300 0.031 0.000 1.126 117 R CA 1.103 57.219 56.100 0.027 0.000 0.963 117 R CB -1.178 29.140 30.300 0.030 0.000 0.858 117 R HN 0.270 nan 8.270 nan 0.000 0.435 118 I N 0.118 120.707 120.570 0.032 0.000 2.127 118 I HA -0.340 3.856 4.170 0.043 0.000 0.241 118 I C 2.782 178.923 176.117 0.039 0.000 1.075 118 I CA 1.436 62.759 61.300 0.037 0.000 1.334 118 I CB -0.344 37.679 38.000 0.038 0.000 1.040 118 I HN 0.151 nan 8.210 nan 0.000 0.405 119 R N 0.820 121.341 120.500 0.035 0.000 2.091 119 R HA -0.254 4.111 4.340 0.043 0.000 0.238 119 R C 2.010 178.327 176.300 0.028 0.000 1.136 119 R CA 2.339 58.459 56.100 0.033 0.000 0.959 119 R CB -0.266 30.051 30.300 0.027 0.000 0.856 119 R HN 0.352 nan 8.270 nan 0.000 0.437 120 D N -0.709 119.706 120.400 0.025 0.000 2.097 120 D HA -0.120 4.546 4.640 0.043 0.000 0.197 120 D C 1.819 178.134 176.300 0.024 0.000 0.984 120 D CA 1.310 55.322 54.000 0.020 0.000 0.826 120 D CB 0.080 40.891 40.800 0.018 0.000 0.973 120 D HN 0.086 nan 8.370 nan 0.000 0.460 121 V N 0.068 120.002 119.914 0.033 0.000 2.343 121 V HA -0.242 3.903 4.120 0.043 0.000 0.247 121 V C 2.544 178.663 176.094 0.043 0.000 1.051 121 V CA 2.118 64.442 62.300 0.040 0.000 1.036 121 V CB -0.851 31.001 31.823 0.048 0.000 0.654 121 V HN 0.325 nan 8.190 nan 0.000 0.451 122 T N -0.613 113.969 114.554 0.047 0.000 2.674 122 T HA -0.233 4.143 4.350 0.043 0.000 0.265 122 T C 2.090 176.816 174.700 0.044 0.000 1.039 122 T CA 1.895 64.030 62.100 0.059 0.000 1.150 122 T CB -0.241 68.667 68.868 0.068 0.000 0.864 122 T HN 0.304 nan 8.240 nan 0.000 0.427 123 R N 0.924 121.440 120.500 0.025 0.000 2.091 123 R HA -0.060 4.306 4.340 0.043 0.000 0.238 123 R C 2.677 178.970 176.300 -0.013 0.000 1.136 123 R CA 1.700 57.800 56.100 -0.001 0.000 0.959 123 R CB -0.475 29.821 30.300 -0.007 0.000 0.856 123 R HN 0.203 nan 8.270 nan 0.000 0.437 124 S N 0.179 115.879 115.700 0.000 0.000 2.368 124 S HA -0.066 4.430 4.470 0.043 0.000 0.224 124 S C 1.769 176.365 174.600 -0.005 0.000 1.029 124 S CA 1.191 59.389 58.200 -0.005 0.000 0.988 124 S CB -0.183 63.020 63.200 0.006 0.000 0.838 124 S HN 0.247 nan 8.310 nan 0.000 0.462 125 L N 1.033 122.263 121.223 0.013 0.000 2.027 125 L HA -0.081 4.284 4.340 0.043 0.000 0.206 125 L C 2.284 179.146 176.870 -0.013 0.000 1.074 125 L CA 1.102 55.953 54.840 0.017 0.000 0.745 125 L CB -0.624 41.467 42.059 0.053 0.000 0.898 125 L HN 0.282 nan 8.230 nan 0.000 0.433 126 L N -0.208 121.015 121.223 -0.001 0.000 2.083 126 L HA -0.201 4.165 4.340 0.043 0.000 0.209 126 L C 2.829 179.639 176.870 -0.100 0.000 1.083 126 L CA 1.089 55.915 54.840 -0.023 0.000 0.752 126 L CB -0.759 41.324 42.059 0.040 0.000 0.899 126 L HN 0.268 nan 8.230 nan 0.000 0.433 127 A N -0.583 122.180 122.820 -0.094 0.000 2.076 127 A HA -0.210 4.136 4.320 0.043 0.000 0.220 127 A C 1.613 179.147 177.584 -0.084 0.000 1.160 127 A CA 1.757 53.731 52.037 -0.105 0.000 0.653 127 A CB -0.370 18.585 19.000 -0.076 0.000 0.801 127 A HN 0.368 nan 8.150 nan 0.000 0.455 128 D N -0.530 119.823 120.400 -0.078 0.000 2.339 128 D HA 0.329 4.995 4.640 0.043 0.000 0.217 128 D C 0.381 176.613 176.300 -0.114 0.000 1.050 128 D CA 0.756 54.714 54.000 -0.071 0.000 0.856 128 D CB 0.237 41.010 40.800 -0.046 0.000 0.922 128 D HN 0.393 nan 8.370 nan 0.000 0.518 129 A N 0.189 122.892 122.820 -0.195 0.000 2.288 129 A HA 0.668 5.014 4.320 0.043 0.000 0.320 129 A C 0.792 178.284 177.584 -0.153 0.000 1.217 129 A CA -0.392 51.394 52.037 -0.418 0.000 0.840 129 A CB 1.459 19.740 19.000 -1.199 0.000 1.179 129 A HN 0.133 nan 8.150 nan 0.000 0.504 130 G N 0.567 109.346 108.800 -0.034 0.000 3.392 130 G HA2 0.380 4.365 3.960 0.043 0.000 0.188 130 G HA3 0.380 4.365 3.960 0.043 0.000 0.188 130 G C 0.847 175.902 174.900 0.257 0.000 1.485 130 G CA 0.678 45.868 45.100 0.151 0.000 0.943 130 G HN 0.703 nan 8.290 nan 0.000 0.627 131 E N -0.159 120.148 120.200 0.178 0.000 2.058 131 E HA -0.003 4.372 4.350 0.043 0.000 0.194 131 E C 0.690 177.364 176.600 0.123 0.000 0.997 131 E CA 1.317 57.793 56.400 0.127 0.000 0.801 131 E CB -0.195 29.548 29.700 0.071 0.000 0.746 131 E HN 0.195 nan 8.360 nan 0.000 0.450 132 S N -0.841 114.962 115.700 0.171 0.000 2.538 132 S HA 0.637 5.133 4.470 0.043 0.000 0.288 132 S C -1.077 173.688 174.600 0.275 0.000 1.108 132 S CA -0.496 57.767 58.200 0.105 0.000 0.971 132 S CB 1.075 64.292 63.200 0.028 0.000 1.041 132 S HN 0.346 nan 8.310 nan 0.000 0.483 133 F N -0.509 119.400 119.950 -0.068 0.000 2.842 133 F HA 0.501 5.054 4.527 0.044 0.000 0.319 133 F C -1.727 174.052 175.800 -0.035 0.000 1.159 133 F CA -1.105 56.871 58.000 -0.040 0.000 0.902 133 F CB 0.722 39.709 39.000 -0.022 0.000 1.311 133 F HN 0.373 nan 8.300 nan 0.000 0.453 134 D N 2.058 122.540 120.400 0.137 0.000 2.313 134 D HA 0.177 4.843 4.640 0.043 0.000 0.239 134 D C 0.608 177.004 176.300 0.159 0.000 1.142 134 D CA -0.145 53.880 54.000 0.041 0.000 0.847 134 D CB 1.806 42.662 40.800 0.093 0.000 1.082 134 D HN 0.759 nan 8.370 nan 0.000 0.480 135 L N 5.023 126.229 121.223 -0.027 0.000 2.131 135 L HA -0.161 4.205 4.340 0.043 0.000 0.210 135 L C 1.891 178.884 176.870 0.206 0.000 1.092 135 L CA 1.468 56.397 54.840 0.147 0.000 0.759 135 L CB -0.012 42.064 42.059 0.028 0.000 0.903 135 L HN 0.362 nan 8.230 nan 0.000 0.435 136 V N -0.626 119.380 119.914 0.153 0.000 2.283 136 V HA -0.227 3.918 4.120 0.043 0.000 0.243 136 V C 2.190 178.419 176.094 0.226 0.000 1.039 136 V CA 1.789 64.199 62.300 0.183 0.000 1.016 136 V CB -0.792 31.105 31.823 0.124 0.000 0.650 136 V HN 0.382 nan 8.190 nan 0.000 0.449 137 D N 0.168 120.685 120.400 0.195 0.000 2.149 137 D HA -0.140 4.526 4.640 0.043 0.000 0.198 137 D C 2.088 178.501 176.300 0.188 0.000 0.990 137 D CA 1.247 55.343 54.000 0.161 0.000 0.839 137 D CB -0.254 40.623 40.800 0.129 0.000 0.948 137 D HN 0.329 nan 8.370 nan 0.000 0.460 138 V N -0.045 120.007 119.914 0.231 0.000 2.379 138 V HA -0.091 4.055 4.120 0.043 0.000 0.243 138 V C 1.968 178.178 176.094 0.193 0.000 1.035 138 V CA 1.049 63.470 62.300 0.202 0.000 1.035 138 V CB 0.035 31.996 31.823 0.230 0.000 0.673 138 V HN 0.104 nan 8.190 nan 0.000 0.457 139 L N -0.741 120.622 121.223 0.233 0.000 2.614 139 L HA 0.492 4.857 4.340 0.043 0.000 0.185 139 L C 2.201 179.192 176.870 0.203 0.000 1.098 139 L CA 1.804 56.767 54.840 0.204 0.000 0.852 139 L CB -0.719 41.475 42.059 0.224 0.000 1.213 139 L HN 0.114 nan 8.230 nan 0.000 0.491 140 A N -0.975 121.977 122.820 0.220 0.000 1.969 140 A HA -0.163 4.182 4.320 0.043 0.000 0.218 140 A C 2.182 179.904 177.584 0.231 0.000 1.169 140 A CA 1.788 53.941 52.037 0.195 0.000 0.635 140 A CB -0.897 18.208 19.000 0.174 0.000 0.810 140 A HN 0.483 nan 8.150 nan 0.000 0.445 141 F N 1.035 121.075 119.950 0.150 0.000 2.118 141 F HA 0.032 4.584 4.527 0.042 0.000 0.293 141 F C -0.622 175.322 175.800 0.241 0.000 1.102 141 F CA 1.585 59.715 58.000 0.216 0.000 1.247 141 F CB -0.333 38.758 39.000 0.151 0.000 1.017 141 F HN 0.154 nan 8.300 nan 0.000 0.475 142 P HA -0.127 nan 4.420 nan 0.000 0.219 142 P C 1.916 179.247 177.300 0.051 0.000 1.150 142 P CA 0.998 64.217 63.100 0.198 0.000 0.814 142 P CB -0.172 31.646 31.700 0.198 0.000 0.787 143 L N 1.165 122.429 121.223 0.068 0.000 1.971 143 L HA -0.079 4.286 4.340 0.043 0.000 0.215 143 L C -0.787 176.062 176.870 -0.035 0.000 1.072 143 L CA 2.973 57.833 54.840 0.034 0.000 0.758 143 L CB -2.314 39.785 42.059 0.067 0.000 0.889 143 L HN -0.006 nan 8.230 nan 0.000 0.433 144 P HA -0.145 nan 4.420 nan 0.000 0.216 144 P C 2.163 179.332 177.300 -0.219 0.000 1.153 144 P CA 1.494 64.521 63.100 -0.121 0.000 0.848 144 P CB -0.137 31.506 31.700 -0.094 0.000 0.787 145 V N -0.589 119.050 119.914 -0.459 0.000 2.427 145 V HA -0.229 3.917 4.120 0.043 0.000 0.248 145 V C 2.027 178.047 176.094 -0.123 0.000 1.051 145 V CA 2.716 64.773 62.300 -0.405 0.000 1.048 145 V CB -1.482 29.895 31.823 -0.744 0.000 0.666 145 V HN 0.145 nan 8.190 nan 0.000 0.456 146 T N 1.176 115.674 114.554 -0.094 0.000 2.684 146 T HA -0.151 4.224 4.350 0.043 0.000 0.267 146 T C 1.818 176.492 174.700 -0.044 0.000 1.036 146 T CA 2.014 64.090 62.100 -0.040 0.000 1.148 146 T CB -0.256 68.627 68.868 0.026 0.000 0.863 146 T HN 0.363 nan 8.240 nan 0.000 0.436 147 I N 1.011 121.566 120.570 -0.024 0.000 2.252 147 I HA -0.070 4.126 4.170 0.043 0.000 0.245 147 I C 2.560 178.678 176.117 0.002 0.000 1.102 147 I CA 0.861 62.162 61.300 0.001 0.000 1.385 147 I CB -1.571 36.440 38.000 0.018 0.000 1.064 147 I HN 0.130 nan 8.210 nan 0.000 0.414 148 V N 1.614 121.527 119.914 -0.002 0.000 2.295 148 V HA -0.257 3.889 4.120 0.043 0.000 0.246 148 V C 2.898 178.974 176.094 -0.031 0.000 1.049 148 V CA 1.823 64.141 62.300 0.031 0.000 1.024 148 V CB -1.212 30.660 31.823 0.081 0.000 0.648 148 V HN 0.449 nan 8.190 nan 0.000 0.447 149 A N -0.368 122.385 122.820 -0.113 0.000 1.908 149 A HA -0.277 4.069 4.320 0.043 0.000 0.218 149 A C 2.194 179.622 177.584 -0.260 0.000 1.181 149 A CA 2.123 53.909 52.037 -0.417 0.000 0.627 149 A CB -0.487 18.087 19.000 -0.710 0.000 0.818 149 A HN 0.642 nan 8.150 nan 0.000 0.445 150 E N -0.925 119.202 120.200 -0.123 0.000 2.107 150 E HA -0.128 4.248 4.350 0.043 0.000 0.191 150 E C 1.960 178.567 176.600 0.012 0.000 0.982 150 E CA 1.023 57.424 56.400 0.001 0.000 0.809 150 E CB -0.223 29.507 29.700 0.050 0.000 0.756 150 E HN 0.538 nan 8.360 nan 0.000 0.459 151 L N 0.823 122.056 121.223 0.018 0.000 2.083 151 L HA -0.160 4.206 4.340 0.043 0.000 0.209 151 L C 1.913 178.811 176.870 0.048 0.000 1.083 151 L CA 1.399 56.275 54.840 0.059 0.000 0.752 151 L CB -0.157 41.972 42.059 0.116 0.000 0.899 151 L HN 0.088 nan 8.230 nan 0.000 0.433 152 L N 0.542 121.763 121.223 -0.005 0.000 2.291 152 L HA 0.220 4.586 4.340 0.043 0.000 0.214 152 L C 1.780 178.638 176.870 -0.020 0.000 1.120 152 L CA 1.251 56.078 54.840 -0.021 0.000 0.799 152 L CB -1.457 40.542 42.059 -0.100 0.000 0.925 152 L HN 0.582 nan 8.230 nan 0.000 0.446 153 G N -0.363 108.427 108.800 -0.016 0.000 2.142 153 G HA2 -0.230 3.756 3.960 0.043 0.000 0.225 153 G HA3 -0.230 3.756 3.960 0.043 0.000 0.225 153 G C 0.155 175.065 174.900 0.015 0.000 1.015 153 G CA 0.295 45.401 45.100 0.011 0.000 0.716 153 G HN 0.411 nan 8.290 nan 0.000 0.508 154 L N -1.782 119.441 121.223 -0.000 0.000 2.375 154 L HA 0.814 5.180 4.340 0.043 0.000 0.271 154 L C -1.951 175.008 176.870 0.149 0.000 1.107 154 L CA -2.512 52.353 54.840 0.043 0.000 0.806 154 L CB -0.075 41.977 42.059 -0.012 0.000 1.146 154 L HN -0.149 nan 8.230 nan 0.000 0.447 155 P HA 0.002 nan 4.420 nan 0.000 0.259 155 P C -1.916 175.416 177.300 0.053 0.000 1.163 155 P CA -0.666 62.487 63.100 0.088 0.000 0.760 155 P CB 0.002 31.756 31.700 0.090 0.000 0.762 156 P HA -0.208 nan 4.420 nan 0.000 0.218 156 P C 1.161 178.241 177.300 -0.367 0.000 1.150 156 P CA 1.917 64.639 63.100 -0.629 0.000 0.841 156 P CB -0.311 31.174 31.700 -0.358 0.000 0.784 157 M N -1.153 118.375 119.600 -0.120 0.000 2.619 157 M HA -0.020 4.486 4.480 0.043 0.000 0.251 157 M C 0.626 176.935 176.300 0.015 0.000 1.106 157 M CA 1.100 56.375 55.300 -0.043 0.000 1.086 157 M CB -1.102 31.487 32.600 -0.018 0.000 1.465 157 M HN -0.089 nan 8.290 nan 0.000 0.506 158 D N -1.265 119.185 120.400 0.084 0.000 2.349 158 D HA 0.052 4.717 4.640 0.043 0.000 0.214 158 D C 1.779 178.148 176.300 0.116 0.000 1.063 158 D CA 0.340 54.392 54.000 0.086 0.000 0.847 158 D CB -0.167 40.743 40.800 0.185 0.000 0.933 158 D HN 0.466 nan 8.370 nan 0.000 0.513 159 H N 0.502 119.562 119.070 -0.016 0.000 2.353 159 H HA -0.074 4.508 4.556 0.043 0.000 0.300 159 H C 1.735 177.079 175.328 0.026 0.000 1.090 159 H CA 0.899 56.964 56.048 0.027 0.000 1.327 159 H CB 0.533 30.308 29.762 0.023 0.000 1.383 159 H HN 0.189 nan 8.280 nan 0.000 0.508 160 E N 0.654 120.912 120.200 0.098 0.000 2.038 160 E HA -0.238 4.138 4.350 0.043 0.000 0.195 160 E C 2.367 178.904 176.600 -0.104 0.000 1.000 160 E CA 1.263 57.666 56.400 0.006 0.000 0.803 160 E CB 0.145 29.832 29.700 -0.021 0.000 0.750 160 E HN 0.219 nan 8.360 nan 0.000 0.448 161 Q N -0.272 119.390 119.800 -0.230 0.000 2.119 161 Q HA -0.155 4.211 4.340 0.043 0.000 0.201 161 Q C 1.767 177.376 176.000 -0.653 0.000 0.972 161 Q CA 1.380 56.851 55.803 -0.554 0.000 0.847 161 Q CB -0.434 27.855 28.738 -0.750 0.000 0.903 161 Q HN 0.326 nan 8.270 nan 0.000 0.433 162 F N -0.077 119.586 119.950 -0.478 0.000 2.095 162 F HA -0.043 4.510 4.527 0.043 0.000 0.298 162 F C 1.924 177.698 175.800 -0.042 0.000 1.104 162 F CA 2.021 59.913 58.000 -0.180 0.000 1.232 162 F CB -0.762 38.169 39.000 -0.114 0.000 0.987 162 F HN 0.199 nan 8.300 nan 0.000 0.475 163 G N -0.482 108.322 108.800 0.007 0.000 2.422 163 G HA2 -0.272 3.714 3.960 0.043 0.000 0.218 163 G HA3 -0.272 3.714 3.960 0.043 0.000 0.218 163 G C 1.331 176.247 174.900 0.027 0.000 1.146 163 G CA 1.104 46.207 45.100 0.005 0.000 0.769 163 G HN 0.326 nan 8.290 nan 0.000 0.547 164 D N -0.238 120.126 120.400 -0.060 0.000 2.144 164 D HA -0.072 4.594 4.640 0.043 0.000 0.200 164 D C 2.118 178.441 176.300 0.038 0.000 0.978 164 D CA 0.487 54.463 54.000 -0.041 0.000 0.833 164 D CB -0.187 40.519 40.800 -0.157 0.000 0.961 164 D HN 0.388 nan 8.370 nan 0.000 0.470 165 W N 1.099 122.354 121.300 -0.077 0.000 2.378 165 W HA -0.022 4.664 4.660 0.042 0.000 0.313 165 W C 2.715 179.164 176.519 -0.116 0.000 1.197 165 W CA 0.503 57.783 57.345 -0.108 0.000 1.304 165 W CB -1.351 28.002 29.460 -0.179 0.000 1.148 165 W HN -0.035 nan 8.180 nan 0.000 0.494 166 S N 0.034 115.762 115.700 0.046 0.000 2.370 166 S HA -0.110 4.386 4.470 0.043 0.000 0.226 166 S C 2.079 176.755 174.600 0.126 0.000 1.033 166 S CA 1.952 60.165 58.200 0.021 0.000 1.011 166 S CB -0.772 62.391 63.200 -0.062 0.000 0.852 166 S HN 0.214 nan 8.310 nan 0.000 0.457 167 G N 0.919 109.863 108.800 0.240 0.000 2.433 167 G HA2 -0.092 3.894 3.960 0.043 0.000 0.216 167 G HA3 -0.092 3.894 3.960 0.043 0.000 0.216 167 G C 1.706 176.780 174.900 0.290 0.000 1.186 167 G CA 1.036 46.414 45.100 0.463 0.000 0.779 167 G HN 0.681 nan 8.290 nan 0.000 0.543 168 A N 0.612 123.544 122.820 0.186 0.000 1.927 168 A HA -0.089 4.257 4.320 0.043 0.000 0.220 168 A C 2.451 180.100 177.584 0.109 0.000 1.185 168 A CA 1.759 53.876 52.037 0.134 0.000 0.639 168 A CB -0.493 18.589 19.000 0.138 0.000 0.820 168 A HN 0.390 nan 8.150 nan 0.000 0.451 169 L N -0.853 120.424 121.223 0.090 0.000 2.156 169 L HA -0.101 4.265 4.340 0.043 0.000 0.208 169 L C 2.433 179.328 176.870 0.043 0.000 1.095 169 L CA 0.618 55.486 54.840 0.046 0.000 0.770 169 L CB -0.376 41.688 42.059 0.007 0.000 0.914 169 L HN 0.249 nan 8.230 nan 0.000 0.439 170 V N -0.389 119.554 119.914 0.049 0.000 2.358 170 V HA -0.265 3.881 4.120 0.043 0.000 0.246 170 V C 2.050 178.269 176.094 0.208 0.000 1.047 170 V CA 1.806 64.154 62.300 0.080 0.000 1.035 170 V CB -0.482 31.368 31.823 0.046 0.000 0.658 170 V HN 0.398 nan 8.190 nan 0.000 0.452 171 D N 0.079 120.587 120.400 0.180 0.000 2.144 171 D HA -0.123 4.543 4.640 0.043 0.000 0.199 171 D C 2.144 178.509 176.300 0.107 0.000 0.984 171 D CA 0.950 55.025 54.000 0.125 0.000 0.834 171 D CB -0.242 40.605 40.800 0.078 0.000 0.955 171 D HN 0.227 nan 8.370 nan 0.000 0.465 172 I N 1.661 122.287 120.570 0.093 0.000 2.229 172 I HA -0.275 3.921 4.170 0.043 0.000 0.250 172 I C 1.983 178.155 176.117 0.093 0.000 1.096 172 I CA 1.369 62.713 61.300 0.073 0.000 1.358 172 I CB -0.867 37.164 38.000 0.051 0.000 1.047 172 I HN 0.219 nan 8.210 nan 0.000 0.422 173 Q N -0.886 118.999 119.800 0.143 0.000 2.488 173 Q HA -0.054 4.312 4.340 0.043 0.000 0.211 173 Q C 1.865 178.038 176.000 0.288 0.000 0.967 173 Q CA 0.628 56.544 55.803 0.188 0.000 0.926 173 Q CB -0.168 28.673 28.738 0.172 0.000 0.992 173 Q HN 0.472 nan 8.270 nan 0.000 0.506 174 M N 0.660 120.384 119.600 0.207 0.000 2.506 174 M HA 0.065 4.571 4.480 0.043 0.000 0.260 174 M C -0.036 176.304 176.300 0.066 0.000 1.104 174 M CA 0.549 55.903 55.300 0.091 0.000 1.112 174 M CB -0.146 32.432 32.600 -0.036 0.000 1.401 174 M HN 0.010 nan 8.290 nan 0.000 0.473 175 D N 0.961 121.403 120.400 0.070 0.000 2.294 175 D HA 0.092 4.758 4.640 0.043 0.000 0.250 175 D C -0.415 175.912 176.300 0.045 0.000 1.058 175 D CA -0.275 53.753 54.000 0.046 0.000 0.950 175 D CB 0.904 41.727 40.800 0.037 0.000 1.158 175 D HN -0.015 nan 8.370 nan 0.000 0.453 176 D N 1.351 121.769 120.400 0.031 0.000 2.412 176 D HA -0.001 4.665 4.640 0.043 0.000 0.257 176 D C -1.514 174.793 176.300 0.012 0.000 1.217 176 D CA -1.305 52.709 54.000 0.023 0.000 0.897 176 D CB 0.986 41.797 40.800 0.017 0.000 1.132 176 D HN 0.009 nan 8.370 nan 0.000 0.493 177 P HA -0.100 nan 4.420 nan 0.000 0.230 177 P C 0.795 178.078 177.300 -0.029 0.000 1.158 177 P CA 0.879 63.972 63.100 -0.013 0.000 0.769 177 P CB -0.044 31.640 31.700 -0.026 0.000 0.807 178 T N -5.047 109.490 114.554 -0.029 0.000 3.107 178 T HA 0.029 4.405 4.350 0.043 0.000 0.249 178 T C 0.710 175.404 174.700 -0.009 0.000 1.096 178 T CA -0.314 61.767 62.100 -0.032 0.000 1.012 178 T CB -0.654 68.190 68.868 -0.040 0.000 0.977 178 T HN -0.063 nan 8.240 nan 0.000 0.527 179 D N 3.861 124.260 120.400 -0.002 0.000 2.451 179 D HA 0.035 4.700 4.640 0.043 0.000 0.254 179 D C -1.127 175.174 176.300 0.002 0.000 1.204 179 D CA -1.528 52.474 54.000 0.004 0.000 0.896 179 D CB 1.571 42.376 40.800 0.008 0.000 1.136 179 D HN 0.144 nan 8.370 nan 0.000 0.499 180 P HA -0.068 nan 4.420 nan 0.000 0.230 180 P C 0.741 178.043 177.300 0.003 0.000 1.158 180 P CA 0.433 63.534 63.100 0.003 0.000 0.769 180 P CB 0.192 31.896 31.700 0.007 0.000 0.807 181 A N -0.335 122.488 122.820 0.005 0.000 2.206 181 A HA -0.002 4.344 4.320 0.043 0.000 0.211 181 A C 2.052 179.639 177.584 0.005 0.000 1.158 181 A CA 0.179 52.220 52.037 0.006 0.000 0.761 181 A CB -1.378 17.627 19.000 0.009 0.000 0.801 181 A HN 0.191 nan 8.150 nan 0.000 0.473 182 L N -0.005 121.220 121.223 0.002 0.000 1.963 182 L HA -0.266 4.100 4.340 0.043 0.000 0.220 182 L C 2.629 179.498 176.870 -0.002 0.000 1.076 182 L CA 2.572 57.413 54.840 0.001 0.000 0.772 182 L CB -0.506 41.550 42.059 -0.005 0.000 0.892 182 L HN 0.330 nan 8.230 nan 0.000 0.435 183 A N -0.632 122.184 122.820 -0.006 0.000 1.940 183 A HA -0.274 4.072 4.320 0.043 0.000 0.219 183 A C 2.310 179.891 177.584 -0.006 0.000 1.176 183 A CA 1.886 53.918 52.037 -0.009 0.000 0.631 183 A CB -0.919 18.074 19.000 -0.011 0.000 0.814 183 A HN 0.752 nan 8.150 nan 0.000 0.446 184 E N 0.519 120.718 120.200 -0.002 0.000 2.047 184 E HA -0.231 4.145 4.350 0.043 0.000 0.191 184 E C 2.097 178.700 176.600 0.004 0.000 0.987 184 E CA 1.326 57.727 56.400 0.001 0.000 0.799 184 E CB -0.379 29.323 29.700 0.004 0.000 0.752 184 E HN 0.672 nan 8.360 nan 0.000 0.449 185 R N 0.113 120.618 120.500 0.008 0.000 2.096 185 R HA -0.040 4.326 4.340 0.043 0.000 0.235 185 R C 2.710 179.016 176.300 0.011 0.000 1.127 185 R CA 1.419 57.528 56.100 0.015 0.000 0.968 185 R CB -0.458 29.854 30.300 0.020 0.000 0.861 185 R HN 0.260 nan 8.270 nan 0.000 0.440 186 I N 0.983 121.555 120.570 0.002 0.000 2.163 186 I HA -0.282 3.914 4.170 0.043 0.000 0.243 186 I C 2.613 178.717 176.117 -0.022 0.000 1.085 186 I CA 1.501 62.796 61.300 -0.008 0.000 1.347 186 I CB -0.328 37.665 38.000 -0.012 0.000 1.044 186 I HN 0.186 nan 8.210 nan 0.000 0.408 187 A N -0.121 122.687 122.820 -0.020 0.000 1.969 187 A HA -0.203 4.143 4.320 0.043 0.000 0.218 187 A C 1.929 179.494 177.584 -0.033 0.000 1.169 187 A CA 1.678 53.697 52.037 -0.030 0.000 0.635 187 A CB -0.505 18.482 19.000 -0.020 0.000 0.810 187 A HN 0.327 nan 8.150 nan 0.000 0.445 188 D N -0.321 120.072 120.400 -0.012 0.000 2.182 188 D HA -0.103 4.563 4.640 0.043 0.000 0.201 188 D C 1.920 178.217 176.300 -0.004 0.000 0.986 188 D CA 1.518 55.520 54.000 0.003 0.000 0.847 188 D CB -0.019 40.796 40.800 0.025 0.000 0.942 188 D HN 0.287 nan 8.370 nan 0.000 0.467 189 V N 0.255 120.155 119.914 -0.024 0.000 2.575 189 V HA -0.061 4.084 4.120 0.043 0.000 0.242 189 V C 2.214 178.155 176.094 -0.254 0.000 1.045 189 V CA 0.354 62.612 62.300 -0.069 0.000 1.065 189 V CB 0.005 31.838 31.823 0.017 0.000 0.717 189 V HN 0.110 nan 8.190 nan 0.000 0.467 190 L N 0.978 122.100 121.223 -0.170 0.000 2.056 190 L HA -0.056 4.310 4.340 0.043 0.000 0.207 190 L C 2.253 178.990 176.870 -0.221 0.000 1.078 190 L CA 1.748 56.474 54.840 -0.189 0.000 0.749 190 L CB -1.382 40.615 42.059 -0.103 0.000 0.901 190 L HN 0.320 nan 8.230 nan 0.000 0.433 191 N N 0.046 118.649 118.700 -0.163 0.000 2.043 191 N HA -0.138 4.628 4.740 0.043 0.000 0.193 191 N C -0.811 174.589 175.510 -0.183 0.000 1.037 191 N CA 2.027 54.998 53.050 -0.132 0.000 0.851 191 N CB -1.674 36.770 38.487 -0.071 0.000 1.027 191 N HN 0.329 nan 8.380 nan 0.000 0.422 192 P HA -0.107 nan 4.420 nan 0.000 0.216 192 P C 1.839 178.721 177.300 -0.697 0.000 1.153 192 P CA 0.782 63.685 63.100 -0.327 0.000 0.848 192 P CB 0.010 31.578 31.700 -0.220 0.000 0.787 193 L N 0.891 121.421 121.223 -1.155 0.000 1.990 193 L HA -0.172 4.194 4.340 0.043 0.000 0.213 193 L C 2.516 179.201 176.870 -0.308 0.000 1.072 193 L CA 3.223 57.421 54.840 -1.070 0.000 0.755 193 L CB -1.997 39.629 42.059 -0.721 0.000 0.889 193 L HN 0.116 nan 8.230 nan 0.000 0.432 194 T N -3.138 111.289 114.554 -0.211 0.000 2.867 194 T HA -0.040 4.336 4.350 0.043 0.000 0.268 194 T C 1.828 176.513 174.700 -0.025 0.000 1.057 194 T CA 0.976 63.037 62.100 -0.065 0.000 1.136 194 T CB -0.785 68.046 68.868 -0.061 0.000 0.874 194 T HN 0.392 nan 8.240 nan 0.000 0.466 195 A N 0.116 122.909 122.820 -0.045 0.000 2.014 195 A HA 0.117 4.462 4.320 0.043 0.000 0.218 195 A C 2.091 179.713 177.584 0.063 0.000 1.163 195 A CA 1.124 53.163 52.037 0.005 0.000 0.652 195 A CB -1.079 17.923 19.000 0.004 0.000 0.808 195 A HN 0.659 nan 8.150 nan 0.000 0.449 196 Y N 0.623 120.914 120.300 -0.014 0.000 2.145 196 Y HA -0.158 4.418 4.550 0.043 0.000 0.286 196 Y C 1.841 177.801 175.900 0.100 0.000 1.145 196 Y CA 1.943 60.108 58.100 0.109 0.000 1.148 196 Y CB -0.250 38.376 38.460 0.278 0.000 0.981 196 Y HN 0.206 nan 8.280 nan 0.000 0.507 197 L N 0.330 121.598 121.223 0.075 0.000 2.093 197 L HA -0.176 4.189 4.340 0.043 0.000 0.208 197 L C 2.600 179.435 176.870 -0.058 0.000 1.085 197 L CA 1.658 56.493 54.840 -0.009 0.000 0.755 197 L CB -0.540 41.599 42.059 0.134 0.000 0.904 197 L HN 0.145 nan 8.230 nan 0.000 0.435 198 K N 0.425 120.810 120.400 -0.025 0.000 2.148 198 K HA -0.154 4.192 4.320 0.043 0.000 0.204 198 K C 2.112 178.686 176.600 -0.042 0.000 1.050 198 K CA 1.145 57.419 56.287 -0.021 0.000 0.942 198 K CB 0.013 32.510 32.500 -0.005 0.000 0.724 198 K HN 0.270 nan 8.250 nan 0.000 0.446 199 A N 1.417 124.197 122.820 -0.067 0.000 1.898 199 A HA -0.122 4.224 4.320 0.043 0.000 0.216 199 A C 1.976 179.492 177.584 -0.114 0.000 1.181 199 A CA 1.015 53.007 52.037 -0.076 0.000 0.620 199 A CB -0.336 18.624 19.000 -0.067 0.000 0.819 199 A HN 0.180 nan 8.150 nan 0.000 0.442 200 R N -0.050 120.329 120.500 -0.202 0.000 2.083 200 R HA -0.120 4.246 4.340 0.043 0.000 0.237 200 R C 2.162 178.404 176.300 -0.096 0.000 1.137 200 R CA 1.356 57.340 56.100 -0.194 0.000 0.951 200 R CB -2.057 28.068 30.300 -0.291 0.000 0.851 200 R HN 0.620 nan 8.270 nan 0.000 0.434 201 C N 0.349 119.608 119.300 -0.068 0.000 2.401 201 C HA -0.109 4.377 4.460 0.043 0.000 0.276 201 C C 2.840 177.815 174.990 -0.024 0.000 1.233 201 C CA 0.924 59.925 59.018 -0.029 0.000 1.753 201 C CB -1.208 26.528 27.740 -0.008 0.000 2.029 201 C HN 0.579 nan 8.230 nan 0.000 0.478 202 A N 0.123 122.925 122.820 -0.030 0.000 1.897 202 A HA -0.143 4.203 4.320 0.043 0.000 0.215 202 A C 2.013 179.585 177.584 -0.021 0.000 1.181 202 A CA 1.415 53.440 52.037 -0.020 0.000 0.620 202 A CB -0.574 18.415 19.000 -0.018 0.000 0.821 202 A HN 0.682 nan 8.150 nan 0.000 0.443 203 E N -0.417 119.764 120.200 -0.031 0.000 2.070 203 E HA -0.221 4.155 4.350 0.043 0.000 0.197 203 E C 2.245 178.833 176.600 -0.021 0.000 1.004 203 E CA 1.288 57.672 56.400 -0.028 0.000 0.805 203 E CB -0.154 29.521 29.700 -0.042 0.000 0.744 203 E HN 0.382 nan 8.360 nan 0.000 0.451 204 R N 0.243 120.729 120.500 -0.024 0.000 2.153 204 R HA -0.016 4.350 4.340 0.043 0.000 0.218 204 R C 2.270 178.565 176.300 -0.008 0.000 1.072 204 R CA 0.465 56.557 56.100 -0.015 0.000 0.990 204 R CB -0.293 29.998 30.300 -0.014 0.000 0.889 204 R HN 0.136 nan 8.270 nan 0.000 0.452 205 R N 0.751 121.245 120.500 -0.009 0.000 2.120 205 R HA -0.055 4.311 4.340 0.043 0.000 0.234 205 R C 1.835 178.131 176.300 -0.005 0.000 1.123 205 R CA 1.458 57.555 56.100 -0.006 0.000 0.975 205 R CB -0.004 30.293 30.300 -0.006 0.000 0.866 205 R HN 0.157 nan 8.270 nan 0.000 0.446 206 A N -0.373 122.443 122.820 -0.006 0.000 1.984 206 A HA -0.023 4.323 4.320 0.043 0.000 0.214 206 A C 0.324 177.905 177.584 -0.004 0.000 1.173 206 A CA 0.907 52.941 52.037 -0.005 0.000 0.673 206 A CB 0.315 19.312 19.000 -0.005 0.000 0.830 206 A HN 0.360 nan 8.150 nan 0.000 0.453 207 D N -0.566 119.831 120.400 -0.005 0.000 2.517 207 D HA 0.373 5.039 4.640 0.043 0.000 0.263 207 D C -3.087 173.211 176.300 -0.003 0.000 1.233 207 D CA -1.840 52.158 54.000 -0.004 0.000 0.849 207 D CB 0.999 41.796 40.800 -0.004 0.000 1.261 207 D HN 0.023 nan 8.370 nan 0.000 0.516 208 P HA 0.429 nan 4.420 nan 0.000 0.272 208 P C 0.215 177.516 177.300 0.002 0.000 1.223 208 P CA -0.245 62.855 63.100 -0.000 0.000 0.784 208 P CB 1.423 33.124 31.700 0.001 0.000 0.923 209 G N 0.378 109.181 108.800 0.004 0.000 3.222 209 G HA2 0.476 4.462 3.960 0.043 0.000 0.263 209 G HA3 0.476 4.462 3.960 0.043 0.000 0.263 209 G C -1.303 173.603 174.900 0.009 0.000 1.312 209 G CA -0.630 44.474 45.100 0.006 0.000 0.934 209 G HN 0.496 nan 8.290 nan 0.000 0.577 210 D N 0.348 120.754 120.400 0.011 0.000 2.638 210 D HA 0.385 5.051 4.640 0.043 0.000 0.245 210 D C -0.818 175.494 176.300 0.020 0.000 1.176 210 D CA -0.554 53.454 54.000 0.014 0.000 0.996 210 D CB 0.337 41.144 40.800 0.010 0.000 1.012 210 D HN 0.475 nan 8.370 nan 0.000 0.515 211 D N -1.391 119.024 120.400 0.025 0.000 2.583 211 D HA 0.168 4.834 4.640 0.043 0.000 0.248 211 D C 0.668 176.999 176.300 0.051 0.000 1.209 211 D CA -0.956 53.065 54.000 0.034 0.000 0.848 211 D CB 1.011 41.825 40.800 0.024 0.000 1.431 211 D HN -0.043 nan 8.370 nan 0.000 0.436 212 L N 0.725 121.993 121.223 0.076 0.000 2.079 212 L HA 0.034 4.400 4.340 0.043 0.000 0.210 212 L C 1.599 178.527 176.870 0.098 0.000 1.081 212 L CA 1.651 56.562 54.840 0.117 0.000 0.752 212 L CB -0.606 41.558 42.059 0.176 0.000 0.896 212 L HN 0.704 nan 8.230 nan 0.000 0.433 213 I N -1.576 119.032 120.570 0.064 0.000 2.202 213 I HA -0.289 3.907 4.170 0.043 0.000 0.242 213 I C 2.383 178.523 176.117 0.039 0.000 1.091 213 I CA 1.265 62.595 61.300 0.051 0.000 1.368 213 I CB -0.471 37.540 38.000 0.018 0.000 1.058 213 I HN 0.183 nan 8.210 nan 0.000 0.410 214 S N 0.625 116.341 115.700 0.028 0.000 2.359 214 S HA -0.176 4.319 4.470 0.043 0.000 0.224 214 S C 2.046 176.660 174.600 0.023 0.000 1.035 214 S CA 1.268 59.479 58.200 0.019 0.000 1.018 214 S CB -0.319 62.890 63.200 0.015 0.000 0.876 214 S HN 0.362 nan 8.310 nan 0.000 0.448 215 R N 0.656 121.176 120.500 0.035 0.000 2.103 215 R HA -0.075 4.290 4.340 0.043 0.000 0.242 215 R C 2.248 178.566 176.300 0.031 0.000 1.142 215 R CA 1.243 57.364 56.100 0.036 0.000 0.960 215 R CB -0.670 29.662 30.300 0.054 0.000 0.858 215 R HN 0.376 nan 8.270 nan 0.000 0.439 216 L N 0.563 121.814 121.223 0.047 0.000 2.093 216 L HA -0.113 4.253 4.340 0.043 0.000 0.208 216 L C 2.421 179.298 176.870 0.010 0.000 1.085 216 L CA 0.792 55.651 54.840 0.032 0.000 0.755 216 L CB -0.317 41.789 42.059 0.079 0.000 0.904 216 L HN 0.130 nan 8.230 nan 0.000 0.435 217 V N -4.444 115.479 119.914 0.016 0.000 3.129 217 V HA -0.036 4.110 4.120 0.043 0.000 0.259 217 V C 1.950 178.044 176.094 -0.001 0.000 1.116 217 V CA 0.687 62.990 62.300 0.006 0.000 1.127 217 V CB -0.112 31.715 31.823 0.006 0.000 0.742 217 V HN 0.198 nan 8.190 nan 0.000 0.474 218 L N 1.134 122.358 121.223 0.001 0.000 2.416 218 L HA 0.547 4.913 4.340 0.043 0.000 0.216 218 L C 1.784 178.649 176.870 -0.008 0.000 1.098 218 L CA 0.571 55.409 54.840 -0.003 0.000 0.840 218 L CB -0.918 41.141 42.059 0.001 0.000 0.981 218 L HN 0.401 nan 8.230 nan 0.000 0.462 219 A N 0.414 123.227 122.820 -0.012 0.000 2.483 219 A HA 0.302 4.648 4.320 0.043 0.000 0.238 219 A C 0.295 177.863 177.584 -0.027 0.000 1.070 219 A CA 0.196 52.220 52.037 -0.022 0.000 0.770 219 A CB -0.035 18.945 19.000 -0.033 0.000 1.008 219 A HN 0.309 nan 8.150 nan 0.000 0.497 220 E N 1.846 122.030 120.200 -0.028 0.000 2.347 220 E HA 0.464 4.840 4.350 0.043 0.000 0.285 220 E C -1.014 175.567 176.600 -0.031 0.000 0.925 220 E CA -0.696 55.686 56.400 -0.030 0.000 0.779 220 E CB 1.593 31.280 29.700 -0.023 0.000 1.233 220 E HN 0.303 nan 8.360 nan 0.000 0.414 221 V N 2.602 122.494 119.914 -0.037 0.000 3.204 221 V HA 0.168 4.314 4.120 0.043 0.000 0.218 221 V C -0.006 176.069 176.094 -0.031 0.000 1.159 221 V CA 0.381 62.659 62.300 -0.036 0.000 1.282 221 V CB 0.328 32.124 31.823 -0.045 0.000 1.225 221 V HN 0.656 nan 8.190 nan 0.000 0.509 222 D N 0.488 120.868 120.400 -0.032 0.000 2.683 222 D HA 0.430 5.095 4.640 0.043 0.000 0.309 222 D C 1.051 177.336 176.300 -0.024 0.000 1.238 222 D CA 0.817 54.800 54.000 -0.027 0.000 0.936 222 D CB 0.421 41.204 40.800 -0.027 0.000 1.001 222 D HN 0.590 nan 8.370 nan 0.000 0.505 223 G N 1.717 110.504 108.800 -0.022 0.000 2.168 223 G HA2 -0.299 3.687 3.960 0.043 0.000 0.263 223 G HA3 -0.299 3.687 3.960 0.043 0.000 0.263 223 G C 0.531 175.418 174.900 -0.023 0.000 0.977 223 G CA -0.068 45.020 45.100 -0.020 0.000 0.659 223 G HN 0.300 nan 8.290 nan 0.000 0.533 224 R N 0.246 120.729 120.500 -0.029 0.000 2.387 224 R HA 0.779 5.145 4.340 0.043 0.000 0.314 224 R C 0.135 176.413 176.300 -0.038 0.000 0.958 224 R CA 0.436 56.517 56.100 -0.033 0.000 0.846 224 R CB 1.724 32.000 30.300 -0.040 0.000 1.147 224 R HN 0.608 nan 8.270 nan 0.000 0.447 225 A N 3.382 126.182 122.820 -0.034 0.000 2.437 225 A HA 0.768 5.114 4.320 0.043 0.000 0.292 225 A C -1.027 176.536 177.584 -0.036 0.000 1.173 225 A CA -0.744 51.272 52.037 -0.035 0.000 0.785 225 A CB 1.318 20.303 19.000 -0.024 0.000 1.351 225 A HN 0.556 nan 8.150 nan 0.000 0.431 226 L N 1.742 122.945 121.223 -0.034 0.000 2.287 226 L HA 0.381 4.747 4.340 0.043 0.000 0.287 226 L C -0.537 176.327 176.870 -0.010 0.000 1.022 226 L CA -0.940 53.886 54.840 -0.025 0.000 0.814 226 L CB 1.236 43.278 42.059 -0.028 0.000 1.217 226 L HN 0.897 nan 8.230 nan 0.000 0.420 227 D N 0.341 120.738 120.400 -0.005 0.000 2.372 227 D HA -0.016 4.650 4.640 0.043 0.000 0.243 227 D C 0.470 176.775 176.300 0.007 0.000 1.297 227 D CA -0.424 53.576 54.000 0.000 0.000 0.958 227 D CB 0.803 41.603 40.800 0.000 0.000 1.114 227 D HN 0.373 nan 8.370 nan 0.000 0.496 228 D N -0.882 119.522 120.400 0.007 0.000 2.178 228 D HA -0.178 4.488 4.640 0.043 0.000 0.201 228 D C 1.592 177.902 176.300 0.018 0.000 0.980 228 D CA 1.153 55.159 54.000 0.010 0.000 0.842 228 D CB -0.222 40.579 40.800 0.002 0.000 0.948 228 D HN 0.763 nan 8.370 nan 0.000 0.472 229 E N 1.074 121.283 120.200 0.016 0.000 2.031 229 E HA -0.207 4.169 4.350 0.043 0.000 0.193 229 E C 1.712 178.334 176.600 0.037 0.000 0.994 229 E CA 1.059 57.472 56.400 0.021 0.000 0.800 229 E CB 0.086 29.794 29.700 0.014 0.000 0.752 229 E HN 0.273 nan 8.360 nan 0.000 0.447 230 E N 0.187 120.408 120.200 0.035 0.000 2.077 230 E HA -0.185 4.191 4.350 0.043 0.000 0.193 230 E C 2.066 178.720 176.600 0.090 0.000 0.989 230 E CA 0.969 57.400 56.400 0.051 0.000 0.800 230 E CB -0.161 29.552 29.700 0.023 0.000 0.746 230 E HN 0.397 nan 8.360 nan 0.000 0.452 231 A N 1.249 124.112 122.820 0.072 0.000 1.969 231 A HA -0.058 4.288 4.320 0.043 0.000 0.218 231 A C 2.307 179.970 177.584 0.131 0.000 1.169 231 A CA 1.581 53.681 52.037 0.106 0.000 0.635 231 A CB -0.422 18.615 19.000 0.061 0.000 0.810 231 A HN 0.288 nan 8.150 nan 0.000 0.445 232 A N 0.097 122.967 122.820 0.084 0.000 1.898 232 A HA -0.093 4.253 4.320 0.043 0.000 0.214 232 A C 1.911 179.537 177.584 0.070 0.000 1.183 232 A CA 1.417 53.494 52.037 0.065 0.000 0.622 232 A CB -0.498 18.522 19.000 0.034 0.000 0.824 232 A HN 0.496 nan 8.150 nan 0.000 0.444 233 N N -0.591 118.156 118.700 0.079 0.000 2.120 233 N HA -0.154 4.612 4.740 0.043 0.000 0.188 233 N C 1.429 177.006 175.510 0.111 0.000 1.024 233 N CA 1.521 54.619 53.050 0.081 0.000 0.852 233 N CB -0.653 37.884 38.487 0.083 0.000 1.003 233 N HN 0.497 nan 8.380 nan 0.000 0.424 234 F N 2.092 122.055 119.950 0.022 0.000 2.095 234 F HA -0.172 4.380 4.527 0.043 0.000 0.298 234 F C 2.349 178.146 175.800 -0.005 0.000 1.104 234 F CA 1.312 59.319 58.000 0.012 0.000 1.232 234 F CB -0.494 38.506 39.000 -0.001 0.000 0.987 234 F HN -0.061 nan 8.300 nan 0.000 0.475 235 S N -0.472 115.185 115.700 -0.072 0.000 2.382 235 S HA -0.196 4.300 4.470 0.043 0.000 0.228 235 S C 1.940 176.458 174.600 -0.135 0.000 1.027 235 S CA 1.725 59.837 58.200 -0.147 0.000 0.991 235 S CB -0.811 62.410 63.200 0.034 0.000 0.823 235 S HN 0.498 nan 8.310 nan 0.000 0.469 236 T N 2.607 117.125 114.554 -0.060 0.000 2.674 236 T HA -0.052 4.324 4.350 0.043 0.000 0.265 236 T C 2.226 176.854 174.700 -0.121 0.000 1.039 236 T CA 1.282 63.353 62.100 -0.047 0.000 1.150 236 T CB -0.632 68.221 68.868 -0.025 0.000 0.864 236 T HN 0.478 nan 8.240 nan 0.000 0.427 237 A N 1.248 123.976 122.820 -0.154 0.000 1.908 237 A HA -0.069 4.277 4.320 0.043 0.000 0.218 237 A C 2.262 179.658 177.584 -0.314 0.000 1.181 237 A CA 1.392 53.309 52.037 -0.198 0.000 0.627 237 A CB -0.941 17.989 19.000 -0.118 0.000 0.818 237 A HN 0.374 nan 8.150 nan 0.000 0.445 238 L N -0.756 120.168 121.223 -0.498 0.000 1.989 238 L HA -0.169 4.197 4.340 0.043 0.000 0.211 238 L C 2.366 179.071 176.870 -0.275 0.000 1.071 238 L CA 2.194 56.717 54.840 -0.528 0.000 0.749 238 L CB -0.659 40.938 42.059 -0.770 0.000 0.890 238 L HN 0.454 nan 8.230 nan 0.000 0.431 239 L N -0.891 120.228 121.223 -0.173 0.000 1.989 239 L HA -0.227 4.138 4.340 0.043 0.000 0.211 239 L C 2.287 179.108 176.870 -0.082 0.000 1.071 239 L CA 1.951 56.747 54.840 -0.074 0.000 0.749 239 L CB -0.739 41.315 42.059 -0.009 0.000 0.890 239 L HN 0.273 nan 8.230 nan 0.000 0.431 240 L N -0.465 120.696 121.223 -0.103 0.000 2.083 240 L HA -0.156 4.210 4.340 0.043 0.000 0.209 240 L C 2.684 179.511 176.870 -0.072 0.000 1.083 240 L CA 1.178 55.969 54.840 -0.082 0.000 0.752 240 L CB -1.135 40.871 42.059 -0.089 0.000 0.899 240 L HN 0.432 nan 8.230 nan 0.000 0.433 241 A N 0.177 122.931 122.820 -0.111 0.000 2.015 241 A HA -0.054 4.292 4.320 0.043 0.000 0.219 241 A C 2.301 179.843 177.584 -0.071 0.000 1.163 241 A CA 1.643 53.635 52.037 -0.076 0.000 0.646 241 A CB -0.757 18.164 19.000 -0.132 0.000 0.806 241 A HN 0.455 nan 8.150 nan 0.000 0.448 242 G N -2.546 106.209 108.800 -0.075 0.000 2.719 242 G HA2 0.062 4.048 3.960 0.043 0.000 0.211 242 G HA3 0.062 4.048 3.960 0.043 0.000 0.211 242 G C 1.329 176.221 174.900 -0.014 0.000 1.140 242 G CA 0.793 45.862 45.100 -0.052 0.000 0.790 242 G HN 0.730 nan 8.290 nan 0.000 0.529 243 H N -0.298 118.679 119.070 -0.154 0.000 2.273 243 H HA 0.216 4.798 4.556 0.043 0.000 0.311 243 H C 2.355 177.547 175.328 -0.226 0.000 1.057 243 H CA 0.577 56.505 56.048 -0.199 0.000 1.360 243 H CB 0.143 29.759 29.762 -0.243 0.000 1.414 243 H HN 0.132 nan 8.280 nan 0.000 0.516 244 I N 1.376 121.803 120.570 -0.238 0.000 2.264 244 I HA -0.276 3.920 4.170 0.043 0.000 0.248 244 I C 2.401 178.335 176.117 -0.305 0.000 1.111 244 I CA 1.939 63.042 61.300 -0.328 0.000 1.382 244 I CB -0.200 37.611 38.000 -0.315 0.000 1.060 244 I HN 0.564 nan 8.210 nan 0.000 0.418 245 T N -2.589 111.765 114.554 -0.333 0.000 2.708 245 T HA -0.165 4.210 4.350 0.043 0.000 0.266 245 T C 1.752 176.307 174.700 -0.242 0.000 1.037 245 T CA 1.922 63.755 62.100 -0.445 0.000 1.146 245 T CB -1.086 67.461 68.868 -0.535 0.000 0.865 245 T HN 0.291 nan 8.240 nan 0.000 0.435 246 T N 1.775 116.253 114.554 -0.127 0.000 2.777 246 T HA -0.064 4.312 4.350 0.043 0.000 0.266 246 T C 2.272 176.961 174.700 -0.020 0.000 1.040 246 T CA 1.677 63.753 62.100 -0.041 0.000 1.141 246 T CB -0.943 67.929 68.868 0.006 0.000 0.868 246 T HN 0.482 nan 8.240 nan 0.000 0.444 247 T N 1.960 116.503 114.554 -0.019 0.000 2.684 247 T HA -0.096 4.280 4.350 0.043 0.000 0.267 247 T C 2.168 176.878 174.700 0.017 0.000 1.036 247 T CA 1.052 63.166 62.100 0.024 0.000 1.148 247 T CB -0.568 68.296 68.868 -0.006 0.000 0.863 247 T HN 0.131 nan 8.240 nan 0.000 0.436 248 V N 1.389 121.267 119.914 -0.060 0.000 2.427 248 V HA -0.074 4.071 4.120 0.043 0.000 0.248 248 V C 2.417 178.483 176.094 -0.047 0.000 1.051 248 V CA 1.191 63.456 62.300 -0.059 0.000 1.048 248 V CB -0.577 31.135 31.823 -0.185 0.000 0.666 248 V HN 0.430 nan 8.190 nan 0.000 0.456 249 L N -0.656 120.524 121.223 -0.073 0.000 2.012 249 L HA -0.198 4.168 4.340 0.043 0.000 0.210 249 L C 2.449 179.317 176.870 -0.004 0.000 1.073 249 L CA 1.908 56.718 54.840 -0.051 0.000 0.748 249 L CB -0.299 41.726 42.059 -0.058 0.000 0.891 249 L HN 0.362 nan 8.230 nan 0.000 0.431 250 L N 0.097 121.334 121.223 0.023 0.000 2.083 250 L HA -0.078 4.288 4.340 0.043 0.000 0.209 250 L C 2.325 179.230 176.870 0.058 0.000 1.083 250 L CA 2.087 56.959 54.840 0.055 0.000 0.752 250 L CB -1.157 40.953 42.059 0.085 0.000 0.899 250 L HN 0.202 nan 8.230 nan 0.000 0.433 251 G N -0.868 107.963 108.800 0.052 0.000 2.418 251 G HA2 -0.295 3.691 3.960 0.043 0.000 0.217 251 G HA3 -0.295 3.691 3.960 0.043 0.000 0.217 251 G C 1.406 176.318 174.900 0.020 0.000 1.158 251 G CA 0.778 45.904 45.100 0.042 0.000 0.771 251 G HN 0.455 nan 8.290 nan 0.000 0.545 252 N N 0.684 119.390 118.700 0.010 0.000 2.166 252 N HA -0.031 4.735 4.740 0.043 0.000 0.186 252 N C 2.158 177.658 175.510 -0.017 0.000 1.019 252 N CA 0.591 53.644 53.050 0.005 0.000 0.856 252 N CB -0.266 38.225 38.487 0.008 0.000 0.993 252 N HN 0.355 nan 8.380 nan 0.000 0.426 253 I N 0.114 120.673 120.570 -0.020 0.000 2.163 253 I HA -0.231 3.965 4.170 0.043 0.000 0.243 253 I C 1.922 177.982 176.117 -0.095 0.000 1.085 253 I CA 0.919 62.182 61.300 -0.062 0.000 1.347 253 I CB -0.155 37.829 38.000 -0.026 0.000 1.044 253 I HN -0.052 nan 8.210 nan 0.000 0.408 254 V N 0.485 120.401 119.914 0.004 0.000 2.379 254 V HA -0.205 3.941 4.120 0.043 0.000 0.245 254 V C 2.529 178.668 176.094 0.074 0.000 1.044 254 V CA 1.586 63.947 62.300 0.100 0.000 1.036 254 V CB -0.675 31.258 31.823 0.183 0.000 0.664 254 V HN 0.340 nan 8.190 nan 0.000 0.453 255 R N -0.215 120.301 120.500 0.026 0.000 2.096 255 R HA -0.139 4.227 4.340 0.043 0.000 0.235 255 R C 2.304 178.596 176.300 -0.013 0.000 1.127 255 R CA 1.936 58.049 56.100 0.023 0.000 0.968 255 R CB -0.538 29.774 30.300 0.021 0.000 0.861 255 R HN 0.516 nan 8.270 nan 0.000 0.440 256 T N 1.214 115.707 114.554 -0.100 0.000 2.942 256 T HA 0.017 4.393 4.350 0.043 0.000 0.265 256 T C 1.855 176.362 174.700 -0.322 0.000 1.062 256 T CA 0.673 62.624 62.100 -0.248 0.000 1.139 256 T CB 0.029 68.608 68.868 -0.481 0.000 0.883 256 T HN 0.131 nan 8.240 nan 0.000 0.468 257 L N 0.928 121.951 121.223 -0.333 0.000 2.156 257 L HA -0.021 4.345 4.340 0.043 0.000 0.208 257 L C 2.460 179.311 176.870 -0.031 0.000 1.095 257 L CA 1.191 55.782 54.840 -0.413 0.000 0.770 257 L CB -0.527 40.861 42.059 -1.118 0.000 0.914 257 L HN 0.265 nan 8.230 nan 0.000 0.439 258 D N 0.406 120.892 120.400 0.143 0.000 2.133 258 D HA -0.245 4.420 4.640 0.043 0.000 0.195 258 D C 1.960 178.297 176.300 0.062 0.000 0.997 258 D CA 1.454 55.583 54.000 0.215 0.000 0.840 258 D CB 0.194 41.078 40.800 0.140 0.000 0.947 258 D HN 0.330 nan 8.370 nan 0.000 0.452 259 E N -1.440 118.719 120.200 -0.068 0.000 2.230 259 E HA -0.036 4.339 4.350 0.043 0.000 0.192 259 E C 0.267 176.534 176.600 -0.556 0.000 0.987 259 E CA 0.548 56.773 56.400 -0.293 0.000 0.841 259 E CB 0.232 29.711 29.700 -0.368 0.000 0.783 259 E HN 0.534 nan 8.360 nan 0.000 0.481 260 H N -0.046 119.010 119.070 -0.024 0.000 2.386 260 H HA 0.139 4.721 4.556 0.043 0.000 0.232 260 H C -1.967 173.437 175.328 0.127 0.000 1.416 260 H CA -1.491 54.606 56.048 0.081 0.000 1.285 260 H CB 0.728 30.577 29.762 0.146 0.000 1.625 260 H HN 0.141 nan 8.280 nan 0.000 0.521 261 P HA -0.029 nan 4.420 nan 0.000 0.233 261 P C 1.507 178.963 177.300 0.259 0.000 1.167 261 P CA 0.549 63.834 63.100 0.309 0.000 0.770 261 P CB 0.273 32.169 31.700 0.326 0.000 0.837 262 A N -0.025 122.851 122.820 0.093 0.000 2.131 262 A HA -0.201 4.145 4.320 0.043 0.000 0.220 262 A C 1.996 179.542 177.584 -0.063 0.000 1.158 262 A CA 1.144 53.175 52.037 -0.009 0.000 0.665 262 A CB -1.498 17.436 19.000 -0.109 0.000 0.795 262 A HN 0.259 nan 8.150 nan 0.000 0.460 263 H N -2.367 116.750 119.070 0.079 0.000 2.470 263 H HA -0.118 4.461 4.556 0.038 0.000 0.289 263 H C 1.832 177.173 175.328 0.021 0.000 1.033 263 H CA 1.032 57.092 56.048 0.020 0.000 1.331 263 H CB -0.242 29.512 29.762 -0.013 0.000 1.414 263 H HN 0.798 nan 8.280 nan 0.000 0.545 264 W N 2.093 123.493 121.300 0.167 0.000 2.301 264 W HA -0.226 4.463 4.660 0.049 0.000 0.325 264 W C 2.088 178.660 176.519 0.089 0.000 1.250 264 W CA 1.256 58.669 57.345 0.115 0.000 1.261 264 W CB -0.234 29.278 29.460 0.088 0.000 1.157 264 W HN 0.214 nan 8.180 nan 0.000 0.473 265 D N -0.210 120.369 120.400 0.298 0.000 2.144 265 D HA -0.141 4.525 4.640 0.043 0.000 0.200 265 D C 2.140 178.517 176.300 0.130 0.000 0.978 265 D CA 1.729 55.835 54.000 0.177 0.000 0.833 265 D CB -1.337 39.534 40.800 0.119 0.000 0.961 265 D HN 0.150 nan 8.370 nan 0.000 0.470 266 A N 0.981 123.866 122.820 0.109 0.000 1.933 266 A HA 0.005 4.351 4.320 0.043 0.000 0.218 266 A C 2.298 179.943 177.584 0.102 0.000 1.175 266 A CA 2.200 54.288 52.037 0.085 0.000 0.628 266 A CB -0.751 18.291 19.000 0.071 0.000 0.814 266 A HN 0.266 nan 8.150 nan 0.000 0.444 267 A N -0.376 122.522 122.820 0.130 0.000 1.930 267 A HA 0.306 4.652 4.320 0.043 0.000 0.215 267 A C 2.485 180.146 177.584 0.128 0.000 1.176 267 A CA 1.639 53.748 52.037 0.120 0.000 0.632 267 A CB -0.959 18.112 19.000 0.119 0.000 0.819 267 A HN 1.000 nan 8.150 nan 0.000 0.445 268 A N 0.103 123.019 122.820 0.159 0.000 1.883 268 A HA -0.246 4.100 4.320 0.043 0.000 0.217 268 A C 2.035 179.676 177.584 0.096 0.000 1.186 268 A CA 2.034 54.155 52.037 0.140 0.000 0.624 268 A CB -0.578 18.512 19.000 0.151 0.000 0.822 268 A HN 0.688 nan 8.150 nan 0.000 0.444 269 E N -0.786 119.466 120.200 0.086 0.000 2.107 269 E HA -0.158 4.218 4.350 0.043 0.000 0.191 269 E C -0.339 176.294 176.600 0.056 0.000 0.982 269 E CA 1.131 57.569 56.400 0.063 0.000 0.809 269 E CB 0.098 29.831 29.700 0.056 0.000 0.756 269 E HN 0.432 nan 8.360 nan 0.000 0.459 270 D N -0.928 119.509 120.400 0.062 0.000 2.358 270 D HA 0.178 4.844 4.640 0.043 0.000 0.253 270 D C -2.267 174.067 176.300 0.057 0.000 1.288 270 D CA -2.244 51.787 54.000 0.052 0.000 0.950 270 D CB 1.666 42.492 40.800 0.044 0.000 1.197 270 D HN -0.132 nan 8.370 nan 0.000 0.550 271 P HA 0.090 nan 4.420 nan 0.000 0.226 271 P C 1.499 178.828 177.300 0.048 0.000 1.153 271 P CA 0.444 63.580 63.100 0.059 0.000 0.777 271 P CB 0.329 32.062 31.700 0.056 0.000 0.794 272 G N 0.466 109.290 108.800 0.040 0.000 2.499 272 G HA2 -0.264 3.722 3.960 0.043 0.000 0.221 272 G HA3 -0.264 3.722 3.960 0.043 0.000 0.221 272 G C 1.565 176.484 174.900 0.030 0.000 1.109 272 G CA 0.383 45.502 45.100 0.033 0.000 0.749 272 G HN 0.288 nan 8.290 nan 0.000 0.568 273 R N -0.501 120.020 120.500 0.035 0.000 2.236 273 R HA 0.230 4.596 4.340 0.043 0.000 0.208 273 R C 2.306 178.619 176.300 0.022 0.000 1.036 273 R CA 0.118 56.236 56.100 0.030 0.000 1.001 273 R CB -0.181 30.146 30.300 0.045 0.000 0.896 273 R HN 0.378 nan 8.270 nan 0.000 0.464 274 I N 1.298 121.887 120.570 0.033 0.000 2.163 274 I HA -0.211 3.985 4.170 0.043 0.000 0.243 274 I C -0.839 175.293 176.117 0.024 0.000 1.085 274 I CA 1.373 62.691 61.300 0.030 0.000 1.347 274 I CB -0.900 37.128 38.000 0.047 0.000 1.044 274 I HN 0.042 nan 8.210 nan 0.000 0.408 275 P HA -0.191 nan 4.420 nan 0.000 0.216 275 P C 1.417 178.731 177.300 0.023 0.000 1.150 275 P CA 1.837 64.959 63.100 0.037 0.000 0.837 275 P CB -0.038 31.686 31.700 0.040 0.000 0.786 276 A N -1.024 121.796 122.820 -0.000 0.000 1.969 276 A HA -0.144 4.202 4.320 0.043 0.000 0.218 276 A C 2.188 179.728 177.584 -0.074 0.000 1.169 276 A CA 1.183 53.199 52.037 -0.034 0.000 0.635 276 A CB -1.527 17.442 19.000 -0.051 0.000 0.810 276 A HN 0.116 nan 8.150 nan 0.000 0.445 277 I N -0.550 119.984 120.570 -0.061 0.000 2.226 277 I HA -0.212 3.984 4.170 0.043 0.000 0.245 277 I C 2.344 178.460 176.117 -0.002 0.000 1.100 277 I CA 1.086 62.351 61.300 -0.059 0.000 1.374 277 I CB -0.252 37.722 38.000 -0.044 0.000 1.057 277 I HN 0.157 nan 8.210 nan 0.000 0.413 278 V N 0.646 120.568 119.914 0.013 0.000 2.295 278 V HA -0.248 3.898 4.120 0.043 0.000 0.246 278 V C 2.496 178.611 176.094 0.035 0.000 1.049 278 V CA 1.736 64.057 62.300 0.035 0.000 1.024 278 V CB -0.667 31.191 31.823 0.060 0.000 0.648 278 V HN 0.402 nan 8.190 nan 0.000 0.447 279 E N 0.018 120.240 120.200 0.036 0.000 2.085 279 E HA -0.264 4.112 4.350 0.043 0.000 0.194 279 E C 2.188 178.785 176.600 -0.005 0.000 0.994 279 E CA 1.593 58.014 56.400 0.034 0.000 0.801 279 E CB -0.262 29.469 29.700 0.051 0.000 0.743 279 E HN 0.677 nan 8.360 nan 0.000 0.453 280 E N 0.858 121.025 120.200 -0.054 0.000 2.072 280 E HA -0.101 4.275 4.350 0.043 0.000 0.191 280 E C 2.115 178.776 176.600 0.101 0.000 0.985 280 E CA 0.758 57.088 56.400 -0.118 0.000 0.801 280 E CB -0.141 29.284 29.700 -0.459 0.000 0.750 280 E HN 0.018 nan 8.360 nan 0.000 0.452 281 V N 0.861 120.894 119.914 0.198 0.000 2.287 281 V HA -0.282 3.864 4.120 0.043 0.000 0.248 281 V C 2.531 178.690 176.094 0.109 0.000 1.053 281 V CA 1.862 64.281 62.300 0.199 0.000 1.027 281 V CB -0.591 31.278 31.823 0.078 0.000 0.646 281 V HN 0.308 nan 8.190 nan 0.000 0.447 282 L N -0.464 120.769 121.223 0.018 0.000 2.043 282 L HA -0.248 4.118 4.340 0.043 0.000 0.212 282 L C 2.800 179.653 176.870 -0.027 0.000 1.075 282 L CA 2.088 56.886 54.840 -0.069 0.000 0.752 282 L CB -0.544 41.407 42.059 -0.180 0.000 0.891 282 L HN 0.277 nan 8.230 nan 0.000 0.432 283 R N -1.182 119.324 120.500 0.009 0.000 2.073 283 R HA -0.235 4.131 4.340 0.043 0.000 0.234 283 R C 2.428 178.771 176.300 0.072 0.000 1.134 283 R CA 1.803 57.906 56.100 0.004 0.000 0.952 283 R CB -0.373 29.874 30.300 -0.089 0.000 0.850 283 R HN 0.258 nan 8.270 nan 0.000 0.433 284 Y N 0.245 120.542 120.300 -0.005 0.000 2.220 284 Y HA 0.013 4.572 4.550 0.014 0.000 0.291 284 Y C 0.470 176.394 175.900 0.040 0.000 1.129 284 Y CA 1.405 59.530 58.100 0.041 0.000 1.161 284 Y CB 0.410 38.960 38.460 0.149 0.000 0.997 284 Y HN -0.103 nan 8.280 nan 0.000 0.522 285 R N 0.739 121.319 120.500 0.135 0.000 2.639 285 R HA 0.240 4.606 4.340 0.043 0.000 0.273 285 R C -2.811 173.501 176.300 0.020 0.000 1.732 285 R CA -1.994 54.137 56.100 0.052 0.000 1.586 285 R CB 0.867 31.213 30.300 0.077 0.000 1.263 285 R HN 0.012 nan 8.270 nan 0.000 0.615 286 P HA 0.052 nan 4.420 nan 0.000 0.262 286 P C -2.260 175.016 177.300 -0.040 0.000 1.199 286 P CA -1.043 62.037 63.100 -0.033 0.000 0.763 286 P CB 1.155 32.866 31.700 0.018 0.000 0.790 287 P HA -0.079 nan 4.420 nan 0.000 0.218 287 P C 0.114 177.342 177.300 -0.118 0.000 1.148 287 P CA 1.396 64.374 63.100 -0.204 0.000 0.822 287 P CB 0.020 31.490 31.700 -0.385 0.000 0.784 288 F N -0.107 119.775 119.950 -0.114 0.000 2.308 288 F HA 0.255 4.807 4.527 0.041 0.000 0.370 288 F C -1.390 174.361 175.800 -0.081 0.000 1.100 288 F CA -2.651 55.281 58.000 -0.114 0.000 1.108 288 F CB 1.781 40.706 39.000 -0.125 0.000 1.293 288 F HN -0.048 nan 8.300 nan 0.000 0.478 289 P HA -0.023 nan 4.420 nan 0.000 0.241 289 P C -0.629 176.645 177.300 -0.043 0.000 1.191 289 P CA 0.794 63.968 63.100 0.124 0.000 0.771 289 P CB 0.480 32.325 31.700 0.240 0.000 0.929 290 Q N -0.572 119.097 119.800 -0.217 0.000 2.345 290 Q HA 0.621 4.987 4.340 0.043 0.000 0.275 290 Q C -0.659 175.131 176.000 -0.351 0.000 1.063 290 Q CA -0.551 54.974 55.803 -0.464 0.000 0.819 290 Q CB 2.611 30.902 28.738 -0.744 0.000 1.356 290 Q HN -0.064 nan 8.270 nan 0.000 0.418 291 M N 1.241 120.650 119.600 -0.318 0.000 2.644 291 M HA 0.515 5.021 4.480 0.043 0.000 0.304 291 M C -1.181 174.960 176.300 -0.264 0.000 1.215 291 M CA -1.015 54.123 55.300 -0.270 0.000 0.871 291 M CB 2.306 34.802 32.600 -0.174 0.000 1.740 291 M HN 0.428 nan 8.290 nan 0.000 0.464 292 Q N 1.161 120.826 119.800 -0.225 0.000 2.365 292 Q HA 0.668 5.033 4.340 0.043 0.000 0.269 292 Q C -1.088 174.833 176.000 -0.130 0.000 1.061 292 Q CA -0.783 54.909 55.803 -0.184 0.000 0.816 292 Q CB 2.266 30.896 28.738 -0.181 0.000 1.325 292 Q HN 0.369 nan 8.270 nan 0.000 0.446 293 R N 0.227 120.681 120.500 -0.076 0.000 2.905 293 R HA 0.779 5.145 4.340 0.043 0.000 0.260 293 R C -0.872 175.441 176.300 0.022 0.000 1.086 293 R CA -0.813 55.281 56.100 -0.010 0.000 0.978 293 R CB 1.736 32.083 30.300 0.078 0.000 1.215 293 R HN 0.640 nan 8.270 nan 0.000 0.480 294 T N 0.930 115.503 114.554 0.031 0.000 2.848 294 T HA 0.303 4.678 4.350 0.043 0.000 0.285 294 T C -0.310 174.381 174.700 -0.014 0.000 0.995 294 T CA -0.694 61.412 62.100 0.011 0.000 0.970 294 T CB 1.657 70.512 68.868 -0.023 0.000 0.976 294 T HN 0.634 nan 8.240 nan 0.000 0.441 295 T N -0.272 114.251 114.554 -0.051 0.000 2.919 295 T HA 0.259 4.635 4.350 0.043 0.000 0.302 295 T C 1.440 176.036 174.700 -0.174 0.000 1.031 295 T CA -0.315 61.663 62.100 -0.204 0.000 1.127 295 T CB 0.811 69.527 68.868 -0.254 0.000 0.952 295 T HN 0.684 nan 8.240 nan 0.000 0.540 296 T N -1.476 112.943 114.554 -0.224 0.000 3.060 296 T HA 0.246 4.622 4.350 0.043 0.000 0.249 296 T C 0.332 174.945 174.700 -0.145 0.000 1.079 296 T CA -0.308 61.702 62.100 -0.151 0.000 1.013 296 T CB -0.427 68.362 68.868 -0.132 0.000 0.975 296 T HN 0.999 nan 8.240 nan 0.000 0.518 297 K N -0.287 120.000 120.400 -0.189 0.000 2.660 297 K HA 0.657 5.003 4.320 0.043 0.000 0.285 297 K C -1.189 175.298 176.600 -0.188 0.000 0.997 297 K CA -1.048 55.144 56.287 -0.158 0.000 0.861 297 K CB 0.795 33.208 32.500 -0.145 0.000 1.469 297 K HN -0.023 nan 8.250 nan 0.000 0.395 298 A N 1.180 123.915 122.820 -0.142 0.000 2.580 298 A HA 0.278 4.624 4.320 0.043 0.000 0.244 298 A C 0.130 177.614 177.584 -0.167 0.000 1.045 298 A CA 1.333 53.285 52.037 -0.141 0.000 0.761 298 A CB -0.363 18.580 19.000 -0.096 0.000 0.962 298 A HN 0.702 nan 8.150 nan 0.000 0.512 299 T N 1.143 115.580 114.554 -0.195 0.000 2.681 299 T HA 0.652 5.028 4.350 0.043 0.000 0.296 299 T C -1.290 173.341 174.700 -0.115 0.000 1.157 299 T CA -0.067 61.931 62.100 -0.169 0.000 1.025 299 T CB 1.154 69.849 68.868 -0.289 0.000 1.441 299 T HN 0.902 nan 8.240 nan 0.000 0.504 300 E N 0.174 120.357 120.200 -0.029 0.000 2.340 300 E HA 0.709 5.085 4.350 0.043 0.000 0.273 300 E C -1.742 174.900 176.600 0.070 0.000 0.891 300 E CA -1.012 55.382 56.400 -0.010 0.000 0.757 300 E CB 2.165 31.863 29.700 -0.004 0.000 1.231 300 E HN 0.327 nan 8.360 nan 0.000 0.439 301 V N 1.559 121.500 119.914 0.045 0.000 2.483 301 V HA 0.582 4.728 4.120 0.043 0.000 0.297 301 V C 0.359 176.490 176.094 0.062 0.000 1.027 301 V CA -0.139 62.196 62.300 0.060 0.000 0.855 301 V CB 1.061 32.909 31.823 0.040 0.000 0.995 301 V HN 1.135 nan 8.190 nan 0.000 0.424 302 A N 3.880 126.732 122.820 0.055 0.000 2.832 302 A HA 0.020 4.366 4.320 0.043 0.000 0.280 302 A C 1.783 179.404 177.584 0.062 0.000 1.464 302 A CA 1.462 53.534 52.037 0.059 0.000 0.804 302 A CB -1.566 17.479 19.000 0.075 0.000 1.020 302 A HN 2.715 nan 8.150 nan 0.000 0.563 303 G N -3.820 105.011 108.800 0.051 0.000 2.179 303 G HA2 -0.042 3.944 3.960 0.043 0.000 0.260 303 G HA3 -0.042 3.944 3.960 0.043 0.000 0.260 303 G C 0.371 175.303 174.900 0.053 0.000 0.977 303 G CA 0.513 45.641 45.100 0.046 0.000 0.641 303 G HN 1.849 nan 8.290 nan 0.000 0.533 304 V N 3.308 123.262 119.914 0.066 0.000 2.406 304 V HA 0.471 4.617 4.120 0.043 0.000 0.272 304 V C -1.433 174.653 176.094 -0.013 0.000 1.043 304 V CA -1.368 60.983 62.300 0.085 0.000 0.915 304 V CB 1.480 33.411 31.823 0.179 0.000 0.988 304 V HN 0.234 nan 8.190 nan 0.000 0.466 305 P HA 0.424 nan 4.420 nan 0.000 0.281 305 P C -0.842 176.243 177.300 -0.358 0.000 1.252 305 P CA -0.081 62.945 63.100 -0.123 0.000 0.778 305 P CB 1.003 32.679 31.700 -0.041 0.000 0.895 306 I N 5.625 125.916 120.570 -0.464 0.000 2.436 306 I HA 0.354 4.550 4.170 0.043 0.000 0.289 306 I C -2.057 173.813 176.117 -0.412 0.000 1.010 306 I CA -2.895 57.920 61.300 -0.808 0.000 1.098 306 I CB 2.558 39.987 38.000 -0.952 0.000 1.266 306 I HN 0.159 nan 8.210 nan 0.000 0.434 307 P HA 0.202 nan 4.420 nan 0.000 0.274 307 P C -0.527 176.690 177.300 -0.138 0.000 1.256 307 P CA -0.369 62.653 63.100 -0.131 0.000 0.795 307 P CB 0.789 32.479 31.700 -0.018 0.000 1.038 308 A N 0.763 123.522 122.820 -0.101 0.000 2.406 308 A HA 0.201 4.547 4.320 0.043 0.000 0.243 308 A C 0.426 177.974 177.584 -0.060 0.000 1.082 308 A CA 0.266 52.243 52.037 -0.100 0.000 0.786 308 A CB -0.921 18.030 19.000 -0.082 0.000 1.029 308 A HN 0.686 nan 8.150 nan 0.000 0.495 309 D N -1.942 118.421 120.400 -0.061 0.000 2.947 309 D HA -0.140 4.526 4.640 0.043 0.000 0.224 309 D C -0.082 176.220 176.300 0.003 0.000 1.132 309 D CA 1.433 55.415 54.000 -0.030 0.000 0.801 309 D CB -2.373 38.414 40.800 -0.021 0.000 1.097 309 D HN 1.220 nan 8.370 nan 0.000 0.431 310 V N -3.635 116.286 119.914 0.011 0.000 3.074 310 V HA 0.685 4.831 4.120 0.043 0.000 0.314 310 V C 0.340 176.484 176.094 0.082 0.000 1.117 310 V CA -1.211 61.137 62.300 0.080 0.000 1.014 310 V CB 2.650 34.586 31.823 0.187 0.000 1.057 310 V HN 0.088 nan 8.190 nan 0.000 0.438 311 M N 2.665 122.329 119.600 0.105 0.000 2.180 311 M HA 0.618 5.124 4.480 0.043 0.000 0.358 311 M C -1.307 175.056 176.300 0.105 0.000 1.233 311 M CA -0.297 55.041 55.300 0.063 0.000 1.114 311 M CB 1.226 33.828 32.600 0.003 0.000 1.594 311 M HN 0.703 nan 8.290 nan 0.000 0.467 312 V N 5.657 125.607 119.914 0.060 0.000 2.448 312 V HA 0.369 4.515 4.120 0.043 0.000 0.295 312 V C -0.316 175.720 176.094 -0.097 0.000 1.025 312 V CA -0.882 61.448 62.300 0.049 0.000 0.859 312 V CB 1.720 33.607 31.823 0.108 0.000 0.988 312 V HN 0.859 nan 8.190 nan 0.000 0.431 313 N N 2.822 121.402 118.700 -0.201 0.000 2.446 313 N HA 0.336 5.102 4.740 0.043 0.000 0.265 313 N C -0.382 174.956 175.510 -0.285 0.000 0.975 313 N CA -0.341 52.509 53.050 -0.333 0.000 0.928 313 N CB 1.677 39.846 38.487 -0.531 0.000 1.160 313 N HN 0.794 nan 8.380 nan 0.000 0.495 314 T N 0.940 115.331 114.554 -0.270 0.000 2.744 314 T HA 0.295 4.671 4.350 0.043 0.000 0.291 314 T C -0.303 174.294 174.700 -0.171 0.000 0.957 314 T CA -0.625 61.370 62.100 -0.174 0.000 1.002 314 T CB 0.132 68.908 68.868 -0.154 0.000 0.919 314 T HN 0.370 nan 8.240 nan 0.000 0.468 315 W N 4.046 125.290 121.300 -0.094 0.000 2.365 315 W HA 0.407 5.093 4.660 0.043 0.000 0.371 315 W C 1.198 177.741 176.519 0.040 0.000 1.006 315 W CA -0.843 56.512 57.345 0.016 0.000 1.528 315 W CB 0.021 29.536 29.460 0.092 0.000 1.497 315 W HN 0.564 nan 8.180 nan 0.000 0.367 316 V N 3.610 123.625 119.914 0.169 0.000 2.282 316 V HA -0.378 3.767 4.120 0.043 0.000 0.249 316 V C 2.318 178.537 176.094 0.209 0.000 1.057 316 V CA 1.787 64.172 62.300 0.143 0.000 1.032 316 V CB -0.850 31.023 31.823 0.082 0.000 0.645 316 V HN 0.629 nan 8.190 nan 0.000 0.447 317 L N -0.218 121.170 121.223 0.274 0.000 2.043 317 L HA -0.230 4.135 4.340 0.043 0.000 0.212 317 L C 2.618 179.631 176.870 0.238 0.000 1.075 317 L CA 2.495 57.491 54.840 0.260 0.000 0.752 317 L CB -0.458 41.803 42.059 0.335 0.000 0.891 317 L HN 0.509 nan 8.230 nan 0.000 0.432 318 S N -0.744 115.147 115.700 0.318 0.000 2.368 318 S HA -0.133 4.363 4.470 0.043 0.000 0.224 318 S C 2.099 176.826 174.600 0.212 0.000 1.029 318 S CA 1.152 59.489 58.200 0.229 0.000 0.988 318 S CB -0.090 63.292 63.200 0.303 0.000 0.838 318 S HN 0.593 nan 8.310 nan 0.000 0.462 319 A N 2.069 125.037 122.820 0.245 0.000 1.908 319 A HA -0.142 4.204 4.320 0.043 0.000 0.218 319 A C 1.897 179.693 177.584 0.353 0.000 1.181 319 A CA 2.016 54.220 52.037 0.278 0.000 0.627 319 A CB -1.034 18.081 19.000 0.192 0.000 0.818 319 A HN 0.616 nan 8.150 nan 0.000 0.445 320 N N -0.417 118.448 118.700 0.275 0.000 2.364 320 N HA -0.082 4.684 4.740 0.043 0.000 0.183 320 N C 1.118 176.714 175.510 0.143 0.000 1.022 320 N CA 0.850 54.028 53.050 0.213 0.000 0.883 320 N CB -0.132 38.416 38.487 0.103 0.000 0.965 320 N HN 0.324 nan 8.380 nan 0.000 0.438 321 R N 0.292 120.874 120.500 0.138 0.000 2.546 321 R HA 0.151 4.517 4.340 0.043 0.000 0.320 321 R C -0.476 175.882 176.300 0.096 0.000 1.021 321 R CA -0.259 55.891 56.100 0.084 0.000 1.088 321 R CB -0.248 30.066 30.300 0.024 0.000 1.278 321 R HN 0.116 nan 8.270 nan 0.000 0.557 322 D N 1.167 121.655 120.400 0.145 0.000 2.317 322 D HA 0.001 4.667 4.640 0.043 0.000 0.252 322 D C 1.073 177.415 176.300 0.069 0.000 1.174 322 D CA 0.104 54.163 54.000 0.099 0.000 0.866 322 D CB 1.267 42.145 40.800 0.131 0.000 1.127 322 D HN 0.081 nan 8.370 nan 0.000 0.467 323 S N 2.532 118.254 115.700 0.036 0.000 2.481 323 S HA -0.136 4.360 4.470 0.043 0.000 0.231 323 S C 1.084 175.676 174.600 -0.013 0.000 0.996 323 S CA 0.398 58.611 58.200 0.022 0.000 0.942 323 S CB 0.136 63.344 63.200 0.013 0.000 0.768 323 S HN 0.415 nan 8.310 nan 0.000 0.520 324 D N 1.703 122.089 120.400 -0.023 0.000 2.348 324 D HA 0.235 4.900 4.640 0.043 0.000 0.216 324 D C 1.662 177.888 176.300 -0.123 0.000 0.970 324 D CA 1.045 55.016 54.000 -0.048 0.000 0.889 324 D CB 0.049 40.837 40.800 -0.021 0.000 0.912 324 D HN 0.624 nan 8.370 nan 0.000 0.524 325 A N -0.832 121.868 122.820 -0.201 0.000 2.074 325 A HA 0.083 4.429 4.320 0.043 0.000 0.200 325 A C 0.391 177.621 177.584 -0.589 0.000 1.335 325 A CA 0.086 51.825 52.037 -0.497 0.000 0.922 325 A CB 0.479 18.955 19.000 -0.873 0.000 0.972 325 A HN 0.111 nan 8.150 nan 0.000 0.475 326 H N 1.219 120.223 119.070 -0.111 0.000 2.823 326 H HA 0.247 4.819 4.556 0.025 0.000 0.332 326 H C -1.498 173.808 175.328 -0.037 0.000 0.980 326 H CA -1.054 54.955 56.048 -0.066 0.000 1.286 326 H CB 1.042 30.782 29.762 -0.037 0.000 1.541 326 H HN 0.232 nan 8.280 nan 0.000 0.521 327 D N 2.906 123.343 120.400 0.063 0.000 2.455 327 D HA -0.041 4.625 4.640 0.043 0.000 0.241 327 D C 0.299 176.630 176.300 0.051 0.000 1.138 327 D CA 0.632 54.654 54.000 0.038 0.000 0.877 327 D CB 0.529 41.339 40.800 0.017 0.000 1.187 327 D HN 0.502 nan 8.370 nan 0.000 0.451 328 D N 1.878 122.302 120.400 0.040 0.000 2.740 328 D HA -0.148 4.518 4.640 0.043 0.000 0.231 328 D C -1.441 174.896 176.300 0.062 0.000 1.194 328 D CA 0.015 54.041 54.000 0.044 0.000 0.673 328 D CB -0.404 40.416 40.800 0.033 0.000 0.995 328 D HN 0.407 nan 8.370 nan 0.000 0.411 329 P HA -0.148 nan 4.420 nan 0.000 0.219 329 P C 0.812 178.177 177.300 0.108 0.000 1.146 329 P CA 0.983 64.137 63.100 0.090 0.000 0.808 329 P CB 0.372 32.128 31.700 0.093 0.000 0.779 330 D N -0.704 119.768 120.400 0.119 0.000 2.339 330 D HA 0.056 4.721 4.640 0.043 0.000 0.217 330 D C 0.656 177.137 176.300 0.303 0.000 1.050 330 D CA 0.183 54.294 54.000 0.186 0.000 0.856 330 D CB 0.010 40.876 40.800 0.110 0.000 0.922 330 D HN 0.215 nan 8.370 nan 0.000 0.518 331 R N 0.669 121.280 120.500 0.186 0.000 2.234 331 R HA 0.174 4.540 4.340 0.043 0.000 0.324 331 R C -0.207 176.086 176.300 -0.011 0.000 1.054 331 R CA -0.617 55.553 56.100 0.117 0.000 0.912 331 R CB 0.543 30.876 30.300 0.055 0.000 1.030 331 R HN -0.106 nan 8.270 nan 0.000 0.455 332 F N 3.848 123.564 119.950 -0.390 0.000 2.494 332 F HA 0.058 4.608 4.527 0.039 0.000 0.369 332 F C -0.233 175.273 175.800 -0.489 0.000 1.098 332 F CA -0.077 57.405 58.000 -0.864 0.000 1.154 332 F CB 0.334 38.294 39.000 -1.732 0.000 1.103 332 F HN 0.392 nan 8.300 nan 0.000 0.549 333 D N 8.526 128.323 120.400 -1.005 0.000 2.381 333 D HA 0.309 4.975 4.640 0.043 0.000 0.245 333 D C -2.345 173.575 176.300 -0.634 0.000 1.297 333 D CA -1.980 51.646 54.000 -0.625 0.000 0.931 333 D CB 1.543 42.175 40.800 -0.279 0.000 1.334 333 D HN 0.166 nan 8.370 nan 0.000 0.535 334 P HA -0.080 nan 4.420 nan 0.000 0.228 334 P C 1.295 178.449 177.300 -0.245 0.000 1.151 334 P CA 0.696 63.494 63.100 -0.504 0.000 0.770 334 P CB 0.187 31.607 31.700 -0.467 0.000 0.786 335 S N -1.243 114.347 115.700 -0.182 0.000 2.474 335 S HA -0.060 4.436 4.470 0.043 0.000 0.235 335 S C 1.047 175.600 174.600 -0.080 0.000 0.997 335 S CA 0.001 58.145 58.200 -0.094 0.000 0.949 335 S CB -0.835 62.331 63.200 -0.056 0.000 0.766 335 S HN 0.069 nan 8.310 nan 0.000 0.517 336 R N 1.706 122.142 120.500 -0.107 0.000 2.678 336 R HA 0.072 4.437 4.340 0.043 0.000 0.264 336 R C -0.000 176.281 176.300 -0.032 0.000 0.995 336 R CA 0.273 56.337 56.100 -0.060 0.000 1.098 336 R CB 0.204 30.465 30.300 -0.064 0.000 0.949 336 R HN 0.182 nan 8.270 nan 0.000 0.422 337 K N 2.650 123.048 120.400 -0.002 0.000 2.502 337 K HA 0.066 4.412 4.320 0.043 0.000 0.244 337 K C 0.164 176.781 176.600 0.029 0.000 1.249 337 K CA 0.031 56.323 56.287 0.009 0.000 1.193 337 K CB 0.171 32.676 32.500 0.009 0.000 1.674 337 K HN 0.623 nan 8.250 nan 0.000 0.302 338 S N -0.587 115.130 115.700 0.028 0.000 2.646 338 S HA 0.788 5.284 4.470 0.043 0.000 0.273 338 S C 0.607 175.247 174.600 0.067 0.000 1.168 338 S CA -0.094 58.140 58.200 0.056 0.000 1.013 338 S CB 1.323 64.546 63.200 0.038 0.000 1.098 338 S HN 0.590 nan 8.310 nan 0.000 0.544 339 G N -1.805 107.055 108.800 0.100 0.000 2.484 339 G HA2 0.491 4.477 3.960 0.043 0.000 0.685 339 G HA3 0.491 4.477 3.960 0.043 0.000 0.685 339 G C 0.311 175.285 174.900 0.123 0.000 1.294 339 G CA -0.156 45.008 45.100 0.108 0.000 0.879 339 G HN 2.410 nan 8.290 nan 0.000 0.646 340 G N -0.008 108.867 108.800 0.125 0.000 2.552 340 G HA2 0.239 4.225 3.960 0.043 0.000 0.265 340 G HA3 0.239 4.225 3.960 0.043 0.000 0.265 340 G C 1.542 176.480 174.900 0.064 0.000 1.234 340 G CA 1.981 47.124 45.100 0.070 0.000 0.944 340 G HN 2.511 nan 8.290 nan 0.000 0.568 341 A N -0.402 122.329 122.820 -0.148 0.000 2.206 341 A HA 0.534 4.880 4.320 0.043 0.000 0.211 341 A C 2.648 180.230 177.584 -0.004 0.000 1.158 341 A CA 2.071 53.825 52.037 -0.471 0.000 0.761 341 A CB -0.606 18.067 19.000 -0.545 0.000 0.801 341 A HN 2.256 nan 8.150 nan 0.000 0.473 342 A N -0.915 121.991 122.820 0.142 0.000 2.168 342 A HA 0.052 4.398 4.320 0.043 0.000 0.215 342 A C 1.379 179.165 177.584 0.337 0.000 1.152 342 A CA 0.830 53.011 52.037 0.239 0.000 0.716 342 A CB -0.259 18.841 19.000 0.167 0.000 0.794 342 A HN 0.423 nan 8.150 nan 0.000 0.465 343 Q N 0.484 120.539 119.800 0.424 0.000 2.409 343 Q HA 0.245 4.611 4.340 0.043 0.000 0.240 343 Q C 0.601 176.861 176.000 0.433 0.000 1.226 343 Q CA -0.149 55.906 55.803 0.420 0.000 0.895 343 Q CB -0.052 28.991 28.738 0.507 0.000 1.491 343 Q HN 0.344 nan 8.270 nan 0.000 0.509 344 L N 2.351 123.763 121.223 0.316 0.000 2.349 344 L HA -0.116 4.249 4.340 0.043 0.000 0.220 344 L C 1.379 178.320 176.870 0.118 0.000 1.130 344 L CA 1.686 56.672 54.840 0.243 0.000 0.791 344 L CB -0.255 41.919 42.059 0.193 0.000 0.918 344 L HN 0.564 nan 8.230 nan 0.000 0.444 345 S N -1.226 114.476 115.700 0.004 0.000 2.515 345 S HA 0.029 4.524 4.470 0.043 0.000 0.231 345 S C 1.240 175.658 174.600 -0.304 0.000 0.987 345 S CA 0.596 58.697 58.200 -0.165 0.000 0.936 345 S CB -0.359 62.684 63.200 -0.262 0.000 0.766 345 S HN 0.492 nan 8.310 nan 0.000 0.528 346 F N 1.566 121.437 119.950 -0.131 0.000 2.641 346 F HA 0.375 4.930 4.527 0.046 0.000 0.302 346 F C 1.549 177.049 175.800 -0.499 0.000 1.098 346 F CA -0.012 57.731 58.000 -0.429 0.000 1.318 346 F CB 0.134 38.612 39.000 -0.871 0.000 1.035 346 F HN 0.303 nan 8.300 nan 0.000 0.551 347 G N 0.507 109.308 108.800 0.000 0.000 2.587 347 G HA2 -0.160 3.825 3.960 0.043 0.000 0.212 347 G HA3 -0.160 3.825 3.960 0.043 0.000 0.212 347 G C -1.478 173.662 174.900 0.399 0.000 1.327 347 G CA -0.671 44.504 45.100 0.125 0.000 0.898 347 G HN 0.498 nan 8.290 nan 0.000 0.551 348 H N -0.777 118.481 119.070 0.314 0.000 3.137 348 H HA 0.665 5.248 4.556 0.045 0.000 0.336 348 H C 0.481 175.957 175.328 0.246 0.000 1.055 348 H CA 1.858 58.104 56.048 0.331 0.000 1.349 348 H CB 1.038 30.897 29.762 0.162 0.000 1.939 348 H HN 2.657 nan 8.280 nan 0.000 0.487 349 G N 1.465 110.071 108.800 -0.324 0.000 2.508 349 G HA2 -0.227 3.759 3.960 0.043 0.000 0.220 349 G HA3 -0.227 3.759 3.960 0.043 0.000 0.220 349 G C 1.143 176.056 174.900 0.020 0.000 1.287 349 G CA 0.409 45.400 45.100 -0.182 0.000 0.916 349 G HN 1.490 nan 8.290 nan 0.000 0.574 350 V N -2.513 117.407 119.914 0.011 0.000 2.490 350 V HA -0.046 4.100 4.120 0.043 0.000 0.250 350 V C 2.007 178.111 176.094 0.017 0.000 1.061 350 V CA 2.709 65.010 62.300 0.001 0.000 1.064 350 V CB -0.779 31.000 31.823 -0.073 0.000 0.670 350 V HN 0.754 nan 8.190 nan 0.000 0.461 351 H N -0.832 118.292 119.070 0.090 0.000 2.539 351 H HA 0.236 4.818 4.556 0.042 0.000 0.267 351 H C 0.629 176.078 175.328 0.201 0.000 0.982 351 H CA -0.342 55.785 56.048 0.132 0.000 1.146 351 H CB -0.192 29.581 29.762 0.018 0.000 1.382 351 H HN 0.567 nan 8.280 nan 0.000 0.577 352 F N 2.033 122.080 119.950 0.162 0.000 2.579 352 F HA -0.134 4.417 4.527 0.040 0.000 0.397 352 F C 0.929 176.820 175.800 0.151 0.000 1.027 352 F CA -0.260 57.830 58.000 0.149 0.000 1.217 352 F CB 0.233 39.284 39.000 0.085 0.000 0.986 352 F HN 0.147 nan 8.300 nan 0.000 0.551 353 C N 8.641 127.791 119.300 -0.250 0.000 1.694 353 C HA -0.161 4.325 4.460 0.043 0.000 0.433 353 C C 1.724 176.719 174.990 0.008 0.000 1.519 353 C CA -0.010 58.930 59.018 -0.130 0.000 1.542 353 C CB -1.803 25.797 27.740 -0.233 0.000 2.847 353 C HN 0.982 nan 8.230 nan 0.000 0.589 354 L N 6.030 127.317 121.223 0.107 0.000 2.291 354 L HA 0.210 4.576 4.340 0.043 0.000 0.214 354 L C 2.196 179.205 176.870 0.231 0.000 1.120 354 L CA 2.261 57.218 54.840 0.194 0.000 0.799 354 L CB -0.465 41.722 42.059 0.214 0.000 0.925 354 L HN 0.880 nan 8.230 nan 0.000 0.446 355 G N -1.966 106.891 108.800 0.096 0.000 3.141 355 G HA2 0.146 4.132 3.960 0.043 0.000 0.218 355 G HA3 0.146 4.132 3.960 0.043 0.000 0.218 355 G C 1.499 176.373 174.900 -0.044 0.000 1.170 355 G CA 0.442 45.619 45.100 0.128 0.000 0.769 355 G HN 0.498 nan 8.290 nan 0.000 0.546 356 A N 2.157 124.809 122.820 -0.281 0.000 1.892 356 A HA -0.029 4.316 4.320 0.043 0.000 0.218 356 A C 0.687 178.066 177.584 -0.341 0.000 1.188 356 A CA 1.843 53.416 52.037 -0.773 0.000 0.631 356 A CB -1.035 17.326 19.000 -1.064 0.000 0.822 356 A HN 0.359 nan 8.150 nan 0.000 0.447 357 P HA -0.119 nan 4.420 nan 0.000 0.217 357 P C 1.610 178.899 177.300 -0.018 0.000 1.150 357 P CA 0.792 63.858 63.100 -0.057 0.000 0.832 357 P CB -0.082 31.585 31.700 -0.054 0.000 0.787 358 L N -0.293 120.940 121.223 0.017 0.000 2.056 358 L HA -0.014 4.352 4.340 0.043 0.000 0.207 358 L C 2.263 179.172 176.870 0.065 0.000 1.078 358 L CA 1.858 56.734 54.840 0.060 0.000 0.749 358 L CB -1.600 40.550 42.059 0.151 0.000 0.901 358 L HN -0.124 nan 8.230 nan 0.000 0.433 359 A N -0.188 122.672 122.820 0.066 0.000 1.865 359 A HA -0.264 4.082 4.320 0.043 0.000 0.217 359 A C 2.425 180.102 177.584 0.155 0.000 1.191 359 A CA 2.076 54.194 52.037 0.134 0.000 0.623 359 A CB -0.608 18.558 19.000 0.276 0.000 0.826 359 A HN 0.491 nan 8.150 nan 0.000 0.444 360 R N -1.268 119.321 120.500 0.149 0.000 2.083 360 R HA -0.141 4.225 4.340 0.043 0.000 0.237 360 R C 2.152 178.507 176.300 0.091 0.000 1.137 360 R CA 1.507 57.693 56.100 0.143 0.000 0.951 360 R CB -0.610 29.764 30.300 0.124 0.000 0.851 360 R HN 0.488 nan 8.270 nan 0.000 0.434 361 L N 1.595 122.856 121.223 0.063 0.000 1.994 361 L HA -0.176 4.190 4.340 0.043 0.000 0.208 361 L C 1.821 178.725 176.870 0.058 0.000 1.071 361 L CA 1.859 56.729 54.840 0.050 0.000 0.745 361 L CB -0.481 41.597 42.059 0.031 0.000 0.892 361 L HN 0.152 nan 8.230 nan 0.000 0.431 362 E N -0.635 119.603 120.200 0.062 0.000 2.118 362 E HA -0.231 4.145 4.350 0.043 0.000 0.195 362 E C 1.868 178.512 176.600 0.073 0.000 0.992 362 E CA 1.387 57.826 56.400 0.064 0.000 0.804 362 E CB -0.209 29.528 29.700 0.061 0.000 0.741 362 E HN 0.608 nan 8.360 nan 0.000 0.458 363 N N 0.399 119.147 118.700 0.080 0.000 2.333 363 N HA -0.081 4.685 4.740 0.043 0.000 0.178 363 N C 1.852 177.409 175.510 0.078 0.000 1.018 363 N CA 0.345 53.443 53.050 0.080 0.000 0.882 363 N CB 0.002 38.536 38.487 0.079 0.000 0.984 363 N HN 0.115 nan 8.380 nan 0.000 0.434 364 R N 1.327 121.871 120.500 0.075 0.000 2.073 364 R HA -0.055 4.311 4.340 0.043 0.000 0.234 364 R C 1.959 178.301 176.300 0.071 0.000 1.134 364 R CA 1.185 57.326 56.100 0.068 0.000 0.952 364 R CB -0.234 30.102 30.300 0.061 0.000 0.850 364 R HN -0.092 nan 8.270 nan 0.000 0.433 365 V N 1.391 121.345 119.914 0.067 0.000 2.343 365 V HA -0.233 3.913 4.120 0.043 0.000 0.247 365 V C 2.576 178.721 176.094 0.085 0.000 1.051 365 V CA 1.903 64.244 62.300 0.067 0.000 1.036 365 V CB -0.870 30.987 31.823 0.057 0.000 0.654 365 V HN 0.580 nan 8.190 nan 0.000 0.451 366 A N -0.092 122.784 122.820 0.094 0.000 1.883 366 A HA -0.233 4.113 4.320 0.043 0.000 0.217 366 A C 2.186 179.860 177.584 0.150 0.000 1.186 366 A CA 2.280 54.389 52.037 0.120 0.000 0.624 366 A CB -0.659 18.412 19.000 0.118 0.000 0.822 366 A HN 0.437 nan 8.150 nan 0.000 0.444 367 L N 0.057 121.362 121.223 0.136 0.000 2.046 367 L HA -0.129 4.237 4.340 0.043 0.000 0.208 367 L C 2.190 179.165 176.870 0.174 0.000 1.077 367 L CA 2.339 57.276 54.840 0.162 0.000 0.747 367 L CB -0.848 41.272 42.059 0.102 0.000 0.896 367 L HN 0.544 nan 8.230 nan 0.000 0.432 368 E N -0.713 119.563 120.200 0.127 0.000 2.070 368 E HA -0.238 4.138 4.350 0.043 0.000 0.197 368 E C 2.004 178.673 176.600 0.116 0.000 1.004 368 E CA 1.509 57.977 56.400 0.112 0.000 0.805 368 E CB -0.052 29.696 29.700 0.080 0.000 0.744 368 E HN 0.499 nan 8.360 nan 0.000 0.451 369 E N 0.327 120.595 120.200 0.114 0.000 2.107 369 E HA -0.098 4.278 4.350 0.043 0.000 0.191 369 E C 2.193 178.866 176.600 0.121 0.000 0.982 369 E CA 0.511 56.965 56.400 0.090 0.000 0.809 369 E CB -0.069 29.680 29.700 0.080 0.000 0.756 369 E HN 0.353 nan 8.360 nan 0.000 0.459 370 I N 0.928 121.635 120.570 0.227 0.000 2.179 370 I HA -0.267 3.929 4.170 0.043 0.000 0.242 370 I C 2.124 178.444 176.117 0.338 0.000 1.088 370 I CA 0.714 62.240 61.300 0.377 0.000 1.357 370 I CB -0.211 38.058 38.000 0.449 0.000 1.051 370 I HN 0.067 nan 8.210 nan 0.000 0.409 371 I N 1.199 121.952 120.570 0.305 0.000 2.179 371 I HA -0.261 3.935 4.170 0.043 0.000 0.242 371 I C 2.877 179.075 176.117 0.135 0.000 1.088 371 I CA 1.644 63.101 61.300 0.261 0.000 1.357 371 I CB -1.818 36.344 38.000 0.271 0.000 1.051 371 I HN 0.168 nan 8.210 nan 0.000 0.409 372 A N 0.500 123.370 122.820 0.085 0.000 1.903 372 A HA -0.283 4.062 4.320 0.043 0.000 0.219 372 A C 2.616 180.166 177.584 -0.057 0.000 1.191 372 A CA 2.436 54.484 52.037 0.018 0.000 0.638 372 A CB -0.674 18.328 19.000 0.005 0.000 0.823 372 A HN 0.439 nan 8.150 nan 0.000 0.451 373 R N -2.463 117.943 120.500 -0.157 0.000 2.066 373 R HA 0.062 4.428 4.340 0.043 0.000 0.224 373 R C 1.392 177.460 176.300 -0.387 0.000 1.122 373 R CA 1.412 57.270 56.100 -0.404 0.000 0.974 373 R CB -0.139 29.682 30.300 -0.799 0.000 0.871 373 R HN 0.457 nan 8.270 nan 0.000 0.435 374 F N -0.904 119.060 119.950 0.023 0.000 2.694 374 F HA 0.397 4.949 4.527 0.043 0.000 0.292 374 F C 1.765 177.525 175.800 -0.067 0.000 1.121 374 F CA 0.571 58.562 58.000 -0.016 0.000 1.352 374 F CB 0.625 39.618 39.000 -0.012 0.000 1.107 374 F HN 0.354 nan 8.300 nan 0.000 0.597 375 G N 0.924 109.796 108.800 0.121 0.000 2.779 375 G HA2 -0.358 3.628 3.960 0.043 0.000 0.230 375 G HA3 -0.358 3.628 3.960 0.043 0.000 0.230 375 G C 0.683 175.548 174.900 -0.058 0.000 1.243 375 G CA 0.560 45.698 45.100 0.063 0.000 0.769 375 G HN 0.537 nan 8.290 nan 0.000 0.516 376 R N -0.651 119.647 120.500 -0.337 0.000 2.634 376 R HA 0.648 5.014 4.340 0.043 0.000 0.263 376 R C -1.756 173.941 176.300 -1.004 0.000 1.060 376 R CA -0.881 54.518 56.100 -1.169 0.000 0.898 376 R CB 0.639 30.337 30.300 -1.005 0.000 1.253 376 R HN 0.349 nan 8.270 nan 0.000 0.461 377 L N 2.316 122.687 121.223 -1.421 0.000 2.346 377 L HA 0.595 4.960 4.340 0.043 0.000 0.274 377 L C -0.160 176.496 176.870 -0.357 0.000 1.007 377 L CA -1.000 53.467 54.840 -0.622 0.000 0.818 377 L CB 2.403 44.261 42.059 -0.335 0.000 1.284 377 L HN 0.865 nan 8.230 nan 0.000 0.424 378 T N -0.854 113.561 114.554 -0.233 0.000 2.855 378 T HA 0.618 4.994 4.350 0.043 0.000 0.281 378 T C -0.263 174.381 174.700 -0.093 0.000 1.007 378 T CA -0.756 61.286 62.100 -0.097 0.000 1.009 378 T CB 1.832 70.642 68.868 -0.097 0.000 0.983 378 T HN 0.158 nan 8.240 nan 0.000 0.455 379 V N 2.640 122.535 119.914 -0.033 0.000 2.614 379 V HA 0.209 4.355 4.120 0.043 0.000 0.291 379 V C 0.570 176.628 176.094 -0.059 0.000 1.049 379 V CA -0.400 61.870 62.300 -0.049 0.000 1.038 379 V CB 0.971 32.789 31.823 -0.007 0.000 0.980 379 V HN 0.982 nan 8.190 nan 0.000 0.481 380 D N 4.329 124.681 120.400 -0.080 0.000 2.483 380 D HA 0.157 4.823 4.640 0.043 0.000 0.220 380 D C 1.421 177.699 176.300 -0.036 0.000 1.173 380 D CA -0.191 53.772 54.000 -0.063 0.000 0.964 380 D CB 0.387 41.141 40.800 -0.077 0.000 1.046 380 D HN 0.435 nan 8.370 nan 0.000 0.517 381 R N 1.589 122.077 120.500 -0.019 0.000 2.152 381 R HA -0.063 4.303 4.340 0.043 0.000 0.232 381 R C 0.197 176.496 176.300 -0.000 0.000 1.117 381 R CA 0.767 56.868 56.100 0.001 0.000 0.981 381 R CB 0.212 30.518 30.300 0.009 0.000 0.870 381 R HN 0.383 nan 8.270 nan 0.000 0.451 382 D N 1.033 121.426 120.400 -0.012 0.000 2.358 382 D HA -0.008 4.658 4.640 0.043 0.000 0.224 382 D C -0.142 176.147 176.300 -0.019 0.000 1.123 382 D CA 0.170 54.162 54.000 -0.013 0.000 0.833 382 D CB 0.082 40.873 40.800 -0.015 0.000 0.946 382 D HN 0.068 nan 8.370 nan 0.000 0.505 383 D N 1.575 121.960 120.400 -0.024 0.000 2.336 383 D HA 0.008 4.674 4.640 0.043 0.000 0.249 383 D C 0.878 177.163 176.300 -0.025 0.000 1.213 383 D CA -0.074 53.907 54.000 -0.031 0.000 0.870 383 D CB 0.912 41.686 40.800 -0.044 0.000 1.076 383 D HN 0.040 nan 8.370 nan 0.000 0.483 384 E N 2.598 122.782 120.200 -0.027 0.000 2.510 384 E HA -0.142 4.234 4.350 0.043 0.000 0.202 384 E C 1.457 178.038 176.600 -0.032 0.000 1.072 384 E CA 0.224 56.609 56.400 -0.023 0.000 0.883 384 E CB 0.339 30.024 29.700 -0.025 0.000 0.818 384 E HN 0.370 nan 8.360 nan 0.000 0.548 385 R N 0.604 121.076 120.500 -0.048 0.000 2.240 385 R HA 0.095 4.460 4.340 0.043 0.000 0.203 385 R C 0.697 176.979 176.300 -0.030 0.000 1.011 385 R CA -0.157 55.895 56.100 -0.080 0.000 1.007 385 R CB 0.087 30.307 30.300 -0.134 0.000 0.911 385 R HN 0.114 nan 8.270 nan 0.000 0.468 386 L N 2.452 123.676 121.223 0.002 0.000 2.628 386 L HA -0.035 4.331 4.340 0.043 0.000 0.274 386 L C -0.597 176.312 176.870 0.065 0.000 1.209 386 L CA 0.897 55.759 54.840 0.037 0.000 0.930 386 L CB 0.179 42.262 42.059 0.039 0.000 1.183 386 L HN 0.142 nan 8.230 nan 0.000 0.492 387 R N 4.609 125.143 120.500 0.057 0.000 2.538 387 R HA 0.397 4.763 4.340 0.043 0.000 0.292 387 R C -1.098 175.167 176.300 -0.057 0.000 1.008 387 R CA -0.906 55.216 56.100 0.037 0.000 0.896 387 R CB 1.564 31.877 30.300 0.021 0.000 1.187 387 R HN 0.646 nan 8.270 nan 0.000 0.440 388 H N 2.183 121.210 119.070 -0.073 0.000 2.511 388 H HA 0.215 4.796 4.556 0.041 0.000 0.346 388 H C 0.116 175.384 175.328 -0.100 0.000 1.128 388 H CA -0.126 55.902 56.048 -0.032 0.000 1.342 388 H CB 1.045 30.831 29.762 0.040 0.000 1.470 388 H HN 0.272 nan 8.280 nan 0.000 0.546 389 F N 0.643 120.654 119.950 0.101 0.000 2.490 389 F HA -0.012 4.541 4.527 0.042 0.000 0.336 389 F C 1.352 177.213 175.800 0.100 0.000 1.178 389 F CA 0.311 58.356 58.000 0.075 0.000 1.301 389 F CB 0.504 39.535 39.000 0.050 0.000 1.175 389 F HN 0.607 nan 8.300 nan 0.000 0.593 390 E N 0.447 120.805 120.200 0.263 0.000 3.729 390 E HA 0.120 4.496 4.350 0.043 0.000 0.195 390 E C -0.000 176.687 176.600 0.146 0.000 1.005 390 E CA -0.036 56.471 56.400 0.179 0.000 1.356 390 E CB 0.173 29.939 29.700 0.110 0.000 1.138 390 E HN 0.809 nan 8.360 nan 0.000 0.450 391 Q N -0.936 118.959 119.800 0.158 0.000 2.013 391 Q HA 0.272 4.638 4.340 0.043 0.000 0.158 391 Q C 1.298 177.325 176.000 0.045 0.000 0.517 391 Q CA -0.198 55.658 55.803 0.088 0.000 0.753 391 Q CB -0.098 28.678 28.738 0.063 0.000 1.005 391 Q HN 0.228 nan 8.270 nan 0.000 0.393 392 I N 1.221 121.801 120.570 0.017 0.000 3.419 392 I HA 0.200 4.396 4.170 0.043 0.000 0.286 392 I C 0.060 176.199 176.117 0.038 0.000 1.268 392 I CA 0.038 61.315 61.300 -0.038 0.000 1.414 392 I CB 1.308 39.262 38.000 -0.076 0.000 1.074 392 I HN 0.014 nan 8.210 nan 0.000 0.457 393 V N 1.449 121.382 119.914 0.031 0.000 2.789 393 V HA 0.382 4.528 4.120 0.043 0.000 0.311 393 V C -1.084 175.045 176.094 0.059 0.000 1.073 393 V CA -0.763 61.523 62.300 -0.023 0.000 0.921 393 V CB 3.098 34.678 31.823 -0.405 0.000 1.009 393 V HN -0.022 nan 8.190 nan 0.000 0.426 394 L N 5.211 126.469 121.223 0.059 0.000 2.297 394 L HA 0.906 5.272 4.340 0.043 0.000 0.277 394 L C 0.232 177.159 176.870 0.096 0.000 1.040 394 L CA 1.228 56.140 54.840 0.120 0.000 0.867 394 L CB 0.427 42.559 42.059 0.122 0.000 1.244 394 L HN 0.907 nan 8.230 nan 0.000 0.433 395 G N 1.659 110.566 108.800 0.178 0.000 2.398 395 G HA2 0.195 4.180 3.960 0.043 0.000 0.251 395 G HA3 0.195 4.180 3.960 0.043 0.000 0.251 395 G C -1.182 173.838 174.900 0.199 0.000 1.277 395 G CA -0.328 44.850 45.100 0.129 0.000 0.927 395 G HN 0.332 nan 8.290 nan 0.000 0.477 396 T N -0.436 114.212 114.554 0.156 0.000 2.881 396 T HA 0.545 4.921 4.350 0.043 0.000 0.290 396 T C 0.890 175.596 174.700 0.011 0.000 1.000 396 T CA -0.329 61.724 62.100 -0.079 0.000 0.978 396 T CB 1.966 70.700 68.868 -0.224 0.000 0.997 396 T HN 0.669 nan 8.240 nan 0.000 0.443 397 R N 1.973 122.251 120.500 -0.369 0.000 2.140 397 R HA 0.154 4.520 4.340 0.043 0.000 0.213 397 R C 0.023 175.968 176.300 -0.593 0.000 1.059 397 R CA 1.175 56.940 56.100 -0.558 0.000 1.000 397 R CB 0.230 29.925 30.300 -1.009 0.000 0.910 397 R HN 0.575 nan 8.270 nan 0.000 0.455 398 H N -0.678 118.318 119.070 -0.123 0.000 2.782 398 H HA 0.349 4.931 4.556 0.043 0.000 0.347 398 H C -1.595 173.684 175.328 -0.080 0.000 1.038 398 H CA -0.899 55.099 56.048 -0.084 0.000 1.255 398 H CB 1.683 31.385 29.762 -0.100 0.000 1.623 398 H HN -0.047 nan 8.280 nan 0.000 0.525 399 L N 5.897 127.149 121.223 0.048 0.000 2.462 399 L HA 0.381 4.747 4.340 0.043 0.000 0.255 399 L C -2.680 174.149 176.870 -0.069 0.000 1.076 399 L CA -1.556 53.272 54.840 -0.021 0.000 0.920 399 L CB 1.218 43.260 42.059 -0.029 0.000 1.214 399 L HN 0.280 nan 8.230 nan 0.000 0.472 400 P HA 0.142 nan 4.420 nan 0.000 0.264 400 P C -0.916 176.255 177.300 -0.215 0.000 1.193 400 P CA 0.215 63.234 63.100 -0.135 0.000 0.763 400 P CB 0.778 32.424 31.700 -0.090 0.000 0.810 401 V N 1.710 121.390 119.914 -0.390 0.000 3.102 401 V HA 0.644 4.789 4.120 0.043 0.000 0.312 401 V C -1.005 174.808 176.094 -0.469 0.000 1.135 401 V CA -1.123 60.903 62.300 -0.457 0.000 1.022 401 V CB 2.190 33.644 31.823 -0.616 0.000 1.056 401 V HN 0.170 nan 8.190 nan 0.000 0.436 402 L N 2.267 123.274 121.223 -0.360 0.000 2.376 402 L HA 0.806 5.172 4.340 0.043 0.000 0.275 402 L C 0.490 177.189 176.870 -0.285 0.000 0.987 402 L CA -0.812 53.873 54.840 -0.258 0.000 0.828 402 L CB 1.675 43.639 42.059 -0.160 0.000 1.249 402 L HN 0.997 nan 8.230 nan 0.000 0.409 403 A N 1.974 124.645 122.820 -0.248 0.000 2.477 403 A HA 0.400 4.746 4.320 0.043 0.000 0.246 403 A C 1.331 178.838 177.584 -0.128 0.000 1.078 403 A CA 0.443 52.336 52.037 -0.239 0.000 0.770 403 A CB 0.650 19.603 19.000 -0.079 0.000 1.011 403 A HN 0.974 nan 8.150 nan 0.000 0.494 404 G N 0.892 109.602 108.800 -0.151 0.000 2.432 404 G HA2 0.227 4.213 3.960 0.043 0.000 0.219 404 G HA3 0.227 4.213 3.960 0.043 0.000 0.219 404 G C 0.653 175.540 174.900 -0.022 0.000 1.135 404 G CA 1.424 46.458 45.100 -0.110 0.000 0.767 404 G HN 1.863 nan 8.290 nan 0.000 0.550 405 S N -2.314 113.415 115.700 0.050 0.000 2.643 405 S HA 0.611 5.107 4.470 0.043 0.000 0.266 405 S C -0.897 173.821 174.600 0.197 0.000 1.130 405 S CA 0.176 58.427 58.200 0.086 0.000 0.817 405 S CB 1.601 64.829 63.200 0.046 0.000 1.107 405 S HN 1.293 nan 8.310 nan 0.000 0.471 406 S N -0.832 114.951 115.700 0.139 0.000 2.578 406 S HA 0.673 5.169 4.470 0.043 0.000 0.272 406 S C -3.035 171.579 174.600 0.024 0.000 1.145 406 S CA -0.988 57.281 58.200 0.115 0.000 0.835 406 S CB 0.874 64.229 63.200 0.258 0.000 1.104 406 S HN 0.436 nan 8.310 nan 0.000 0.458 407 P HA 0.089 nan 4.420 nan 0.000 0.231 407 P C 1.017 178.308 177.300 -0.014 0.000 1.158 407 P CA 0.512 63.590 63.100 -0.037 0.000 0.763 407 P CB 0.010 31.667 31.700 -0.072 0.000 0.805 408 R N -0.721 119.783 120.500 0.006 0.000 2.236 408 R HA 0.036 4.402 4.340 0.043 0.000 0.208 408 R C 0.733 177.044 176.300 0.019 0.000 1.036 408 R CA 0.534 56.642 56.100 0.015 0.000 1.001 408 R CB -0.145 30.175 30.300 0.032 0.000 0.896 408 R HN 0.477 nan 8.270 nan 0.000 0.464 409 Q N 0.440 120.254 119.800 0.023 0.000 2.259 409 Q HA 0.175 4.540 4.340 0.043 0.000 0.249 409 Q C -0.474 175.532 176.000 0.012 0.000 0.914 409 Q CA -0.133 55.682 55.803 0.021 0.000 0.904 409 Q CB 1.645 30.398 28.738 0.026 0.000 1.213 409 Q HN -0.114 nan 8.270 nan 0.000 0.428 410 S N 1.966 117.671 115.700 0.009 0.000 3.483 410 S HA 0.319 4.815 4.470 0.043 0.000 0.274 410 S C -0.013 174.591 174.600 0.007 0.000 1.289 410 S CA -0.595 57.609 58.200 0.006 0.000 0.938 410 S CB -0.001 63.202 63.200 0.005 0.000 1.453 410 S HN 0.635 nan 8.310 nan 0.000 0.494 411 A N 0.000 122.825 122.820 0.008 0.000 2.254 411 A HA 0.000 4.346 4.320 0.043 0.000 0.244 411 A CA 0.000 52.042 52.037 0.009 0.000 0.836 411 A CB 0.000 19.006 19.000 0.010 0.000 0.831 411 A HN 0.000 nan 8.150 nan 0.000 0.486