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 2x7x_1_B DATA FIRST_RESID 32 DATA SEQUENCE HFRIGVAQCS DDSWRHKMND EILREAMFYN GVSVEIRSAG DDNSKQAEDV DATA SEQUENCE HYFMDEGVDL LIISANEAAP MTPIVEEAYQ KGIPVILVDR KILSDKYTAY DATA SEQUENCE IGADNYEIGR SVGNYIASSL KGKGNIVELT GLSGSTPAME RHQGFMAAIS DATA SEQUENCE KFPDIKLIDK ADAAWERGPA EIEMDSMLRR HPKIDAVYAH NDRIAPGAYQ DATA SEQUENCE AAKMAGREKE MIFVGIDALP GKGNGLELVL DSVLDATFIY PTNGDKVLQL DATA SEQUENCE AMDILEKKPY PKETVMNTAV VDRTNAHVMQ LQTTHISELD KKIETLNGRI 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 32 H HA 0.000 nan 4.556 nan 0.000 0.296 32 H C 0.000 175.139 175.328 -0.315 0.000 0.993 32 H CA 0.000 55.950 56.048 -0.164 0.000 1.023 32 H CB 0.000 29.711 29.762 -0.085 0.000 1.292 33 F N 1.424 121.499 119.950 0.208 0.000 2.561 33 F HA 0.553 5.080 4.527 0.000 0.000 0.313 33 F C -0.045 175.776 175.800 0.034 0.000 1.126 33 F CA -0.496 57.560 58.000 0.093 0.000 0.918 33 F CB 1.851 40.880 39.000 0.048 0.000 1.199 33 F HN -0.212 nan 8.300 nan 0.000 0.444 34 R N 3.794 124.447 120.500 0.254 0.000 2.343 34 R HA 0.718 5.058 4.340 0.001 0.000 0.320 34 R C -0.643 175.688 176.300 0.051 0.000 0.956 34 R CA -0.645 55.529 56.100 0.124 0.000 0.836 34 R CB 1.245 31.605 30.300 0.100 0.000 1.151 34 R HN 0.598 nan 8.270 nan 0.000 0.450 35 I N 1.481 122.042 120.570 -0.015 0.000 2.378 35 I HA 0.551 4.722 4.170 0.001 0.000 0.291 35 I C 0.922 176.917 176.117 -0.204 0.000 0.992 35 I CA -0.896 60.333 61.300 -0.119 0.000 1.154 35 I CB 2.262 40.174 38.000 -0.147 0.000 1.315 35 I HN 0.748 nan 8.210 nan 0.000 0.448 36 G N 5.545 114.091 108.800 -0.424 0.000 2.335 36 G HA2 0.562 4.523 3.960 0.001 0.000 0.316 36 G HA3 0.562 4.523 3.960 0.001 0.000 0.316 36 G C -0.813 173.496 174.900 -0.985 0.000 1.129 36 G CA -0.312 44.133 45.100 -1.091 0.000 0.899 36 G HN 0.346 nan 8.290 nan 0.000 0.448 37 V N 1.907 121.399 119.914 -0.704 0.000 2.357 37 V HA 0.589 4.709 4.120 0.001 0.000 0.284 37 V C 0.437 176.504 176.094 -0.045 0.000 1.018 37 V CA -0.786 61.342 62.300 -0.288 0.000 0.841 37 V CB 1.410 33.158 31.823 -0.125 0.000 0.991 37 V HN 0.979 nan 8.190 nan 0.000 0.437 38 A N 5.089 127.934 122.820 0.042 0.000 2.880 38 A HA 0.469 4.789 4.320 0.001 0.000 0.328 38 A C 0.236 177.897 177.584 0.128 0.000 1.440 38 A CA -0.510 51.666 52.037 0.232 0.000 1.068 38 A CB -0.038 19.136 19.000 0.290 0.000 1.163 38 A HN 0.703 nan 8.150 nan 0.000 0.510 39 Q N 0.575 120.445 119.800 0.115 0.000 2.332 39 Q HA 0.071 4.411 4.340 0.001 0.000 0.263 39 Q C 1.476 177.526 176.000 0.083 0.000 0.979 39 Q CA 0.220 56.076 55.803 0.088 0.000 0.885 39 Q CB 1.130 29.920 28.738 0.087 0.000 1.218 39 Q HN 0.920 nan 8.270 nan 0.000 0.405 40 C N 0.551 119.892 119.300 0.067 0.000 2.457 40 C HA 0.104 4.564 4.460 0.001 0.000 0.278 40 C C 1.027 176.048 174.990 0.051 0.000 1.309 40 C CA -0.190 58.862 59.018 0.057 0.000 1.735 40 C CB -0.082 27.683 27.740 0.042 0.000 1.992 40 C HN 0.555 nan 8.230 nan 0.000 0.493 41 S N -0.286 115.442 115.700 0.046 0.000 2.709 41 S HA 0.617 5.088 4.470 0.001 0.000 0.302 41 S C -1.660 172.980 174.600 0.067 0.000 1.127 41 S CA -0.194 58.032 58.200 0.043 0.000 0.905 41 S CB 1.820 65.021 63.200 0.001 0.000 1.151 41 S HN 0.564 nan 8.310 nan 0.000 0.510 42 D N 0.455 120.895 120.400 0.066 0.000 2.757 42 D HA 0.633 5.274 4.640 0.001 0.000 0.249 42 D C -1.576 174.772 176.300 0.080 0.000 1.168 42 D CA -0.134 53.915 54.000 0.082 0.000 0.870 42 D CB 1.026 41.866 40.800 0.067 0.000 1.411 42 D HN 0.649 nan 8.370 nan 0.000 0.525 43 D N -0.431 120.035 120.400 0.109 0.000 2.809 43 D HA 0.122 4.763 4.640 0.001 0.000 0.336 43 D C 0.452 176.840 176.300 0.147 0.000 1.367 43 D CA -0.335 53.727 54.000 0.104 0.000 0.815 43 D CB -0.100 40.762 40.800 0.104 0.000 1.381 43 D HN 0.089 nan 8.370 nan 0.000 0.471 44 S N -1.243 114.537 115.700 0.132 0.000 2.419 44 S HA -0.149 4.321 4.470 0.001 0.000 0.233 44 S C 1.483 176.202 174.600 0.199 0.000 1.016 44 S CA 0.903 59.188 58.200 0.142 0.000 0.974 44 S CB -0.696 62.563 63.200 0.098 0.000 0.786 44 S HN 0.580 nan 8.310 nan 0.000 0.492 45 W N 2.593 123.917 121.300 0.041 0.000 2.408 45 W HA 0.119 4.779 4.660 0.001 0.000 0.311 45 W C 2.564 179.092 176.519 0.015 0.000 1.190 45 W CA 0.949 58.308 57.345 0.024 0.000 1.321 45 W CB -0.010 29.457 29.460 0.011 0.000 1.143 45 W HN 0.075 nan 8.180 nan 0.000 0.501 46 R N -0.407 120.339 120.500 0.410 0.000 2.083 46 R HA -0.245 4.095 4.340 0.001 0.000 0.237 46 R C 1.947 178.285 176.300 0.063 0.000 1.137 46 R CA 2.171 58.417 56.100 0.243 0.000 0.951 46 R CB -1.722 28.715 30.300 0.229 0.000 0.851 46 R HN 0.419 nan 8.270 nan 0.000 0.434 47 H N 1.208 120.285 119.070 0.012 0.000 2.352 47 H HA -0.113 4.443 4.556 0.001 0.000 0.299 47 H C 2.197 177.476 175.328 -0.082 0.000 1.097 47 H CA 2.385 58.419 56.048 -0.023 0.000 1.311 47 H CB 0.044 29.805 29.762 -0.001 0.000 1.377 47 H HN 0.139 nan 8.280 nan 0.000 0.504 48 K N -0.214 120.111 120.400 -0.124 0.000 2.026 48 K HA -0.195 4.125 4.320 0.001 0.000 0.208 48 K C 2.421 178.829 176.600 -0.320 0.000 1.048 48 K CA 1.757 57.903 56.287 -0.234 0.000 0.929 48 K CB -0.229 32.127 32.500 -0.240 0.000 0.713 48 K HN 0.386 nan 8.250 nan 0.000 0.439 49 M N 0.897 120.256 119.600 -0.401 0.000 2.086 49 M HA -0.220 4.260 4.480 0.001 0.000 0.261 49 M C 1.361 177.511 176.300 -0.249 0.000 1.067 49 M CA 1.819 56.894 55.300 -0.376 0.000 1.116 49 M CB -0.307 32.013 32.600 -0.466 0.000 1.348 49 M HN 0.179 nan 8.290 nan 0.000 0.407 50 N N 1.357 119.930 118.700 -0.210 0.000 2.061 50 N HA -0.198 4.542 4.740 0.001 0.000 0.193 50 N C 1.263 176.651 175.510 -0.204 0.000 1.030 50 N CA 1.904 54.851 53.050 -0.172 0.000 0.856 50 N CB -0.866 37.543 38.487 -0.131 0.000 1.023 50 N HN 0.460 nan 8.380 nan 0.000 0.424 51 D N 0.910 121.129 120.400 -0.301 0.000 2.117 51 D HA -0.108 4.533 4.640 0.001 0.000 0.197 51 D C 1.728 177.933 176.300 -0.158 0.000 0.987 51 D CA 0.846 54.697 54.000 -0.249 0.000 0.829 51 D CB -0.167 40.449 40.800 -0.307 0.000 0.961 51 D HN 0.468 nan 8.370 nan 0.000 0.460 52 E N 0.211 120.309 120.200 -0.171 0.000 2.110 52 E HA -0.101 4.249 4.350 0.001 0.000 0.193 52 E C 2.338 178.875 176.600 -0.105 0.000 0.988 52 E CA 0.429 56.747 56.400 -0.137 0.000 0.804 52 E CB 0.009 29.605 29.700 -0.173 0.000 0.745 52 E HN 0.308 nan 8.360 nan 0.000 0.458 53 I N 0.862 121.361 120.570 -0.118 0.000 2.226 53 I HA -0.276 3.894 4.170 0.001 0.000 0.245 53 I C 2.236 178.323 176.117 -0.050 0.000 1.100 53 I CA 1.003 62.248 61.300 -0.092 0.000 1.374 53 I CB -0.159 37.777 38.000 -0.106 0.000 1.057 53 I HN 0.115 nan 8.210 nan 0.000 0.413 54 L N 0.013 121.206 121.223 -0.050 0.000 2.056 54 L HA -0.168 4.173 4.340 0.001 0.000 0.207 54 L C 2.746 179.627 176.870 0.019 0.000 1.078 54 L CA 1.182 56.011 54.840 -0.018 0.000 0.749 54 L CB -0.541 41.499 42.059 -0.031 0.000 0.901 54 L HN 0.165 nan 8.230 nan 0.000 0.433 55 R N 0.236 120.744 120.500 0.013 0.000 2.096 55 R HA -0.214 4.127 4.340 0.001 0.000 0.235 55 R C 2.203 178.603 176.300 0.167 0.000 1.127 55 R CA 1.433 57.573 56.100 0.067 0.000 0.968 55 R CB 0.021 30.341 30.300 0.033 0.000 0.861 55 R HN 0.148 nan 8.270 nan 0.000 0.440 56 E N -0.002 120.262 120.200 0.108 0.000 2.204 56 E HA -0.061 4.289 4.350 0.001 0.000 0.194 56 E C 1.458 178.234 176.600 0.294 0.000 0.989 56 E CA 1.249 57.741 56.400 0.154 0.000 0.824 56 E CB 0.016 29.739 29.700 0.038 0.000 0.756 56 E HN 0.436 nan 8.360 nan 0.000 0.477 57 A N -0.216 122.720 122.820 0.194 0.000 1.968 57 A HA -0.066 4.254 4.320 0.001 0.000 0.217 57 A C 2.065 179.777 177.584 0.214 0.000 1.169 57 A CA 1.187 53.341 52.037 0.194 0.000 0.638 57 A CB -0.408 18.637 19.000 0.075 0.000 0.812 57 A HN 0.304 nan 8.150 nan 0.000 0.446 58 M N -1.474 118.218 119.600 0.155 0.000 2.337 58 M HA -0.117 4.364 4.480 0.001 0.000 0.261 58 M C 1.103 177.365 176.300 -0.063 0.000 1.067 58 M CA 1.436 56.753 55.300 0.029 0.000 1.074 58 M CB -0.534 32.045 32.600 -0.034 0.000 1.395 58 M HN 0.448 nan 8.290 nan 0.000 0.431 59 F N -2.291 117.661 119.950 0.003 0.000 2.789 59 F HA 0.082 4.610 4.527 0.000 0.000 0.300 59 F C -0.004 175.634 175.800 -0.268 0.000 1.132 59 F CA 0.112 58.034 58.000 -0.130 0.000 1.404 59 F CB 0.003 38.888 39.000 -0.193 0.000 1.114 59 F HN -0.075 nan 8.300 nan 0.000 0.584 60 Y N -0.518 119.841 120.300 0.099 0.000 2.409 60 Y HA 0.298 4.849 4.550 0.000 0.000 0.339 60 Y C 0.273 176.161 175.900 -0.021 0.000 1.033 60 Y CA -1.477 56.641 58.100 0.030 0.000 1.094 60 Y CB 0.694 39.164 38.460 0.017 0.000 1.210 60 Y HN -0.316 nan 8.280 nan 0.000 0.456 61 N N 1.247 119.990 118.700 0.072 0.000 2.430 61 N HA 0.282 5.022 4.740 0.001 0.000 0.265 61 N C 0.612 176.085 175.510 -0.062 0.000 1.100 61 N CA 0.998 54.045 53.050 -0.006 0.000 0.961 61 N CB 0.820 39.291 38.487 -0.026 0.000 1.075 61 N HN 0.891 nan 8.380 nan 0.000 0.478 62 G N 1.818 110.626 108.800 0.013 0.000 2.147 62 G HA2 -0.222 3.738 3.960 0.001 0.000 0.244 62 G HA3 -0.222 3.738 3.960 0.001 0.000 0.244 62 G C -0.259 174.699 174.900 0.097 0.000 1.005 62 G CA 0.282 45.419 45.100 0.062 0.000 0.713 62 G HN 0.515 nan 8.290 nan 0.000 0.515 63 V N 1.022 120.990 119.914 0.090 0.000 2.408 63 V HA 0.608 4.728 4.120 0.001 0.000 0.267 63 V C 0.741 176.882 176.094 0.079 0.000 1.047 63 V CA 0.432 62.796 62.300 0.106 0.000 0.937 63 V CB 1.560 33.421 31.823 0.064 0.000 0.999 63 V HN 0.487 nan 8.190 nan 0.000 0.472 64 S N 4.980 120.731 115.700 0.085 0.000 2.437 64 S HA 0.658 5.129 4.470 0.001 0.000 0.305 64 S C -0.702 173.925 174.600 0.044 0.000 1.109 64 S CA -0.524 57.715 58.200 0.066 0.000 1.099 64 S CB 1.165 64.412 63.200 0.078 0.000 1.004 64 S HN 0.463 nan 8.310 nan 0.000 0.475 65 V N 5.378 125.309 119.914 0.030 0.000 2.409 65 V HA 0.508 4.628 4.120 0.001 0.000 0.291 65 V C -0.035 176.083 176.094 0.041 0.000 1.020 65 V CA -0.712 61.592 62.300 0.006 0.000 0.848 65 V CB 1.487 33.295 31.823 -0.025 0.000 0.990 65 V HN 0.886 nan 8.190 nan 0.000 0.430 66 E N 4.661 124.900 120.200 0.065 0.000 2.145 66 E HA 0.602 4.952 4.350 0.001 0.000 0.270 66 E C -1.365 175.339 176.600 0.173 0.000 0.906 66 E CA -0.553 55.946 56.400 0.166 0.000 0.761 66 E CB 1.474 31.365 29.700 0.319 0.000 1.116 66 E HN 0.645 nan 8.360 nan 0.000 0.408 67 I N 4.336 125.003 120.570 0.162 0.000 2.406 67 I HA 0.448 4.618 4.170 0.001 0.000 0.290 67 I C 0.015 176.250 176.117 0.197 0.000 0.999 67 I CA -0.713 60.676 61.300 0.150 0.000 1.124 67 I CB 1.634 39.672 38.000 0.063 0.000 1.289 67 I HN 0.339 nan 8.210 nan 0.000 0.441 68 R N 3.163 123.822 120.500 0.265 0.000 2.740 68 R HA 0.558 4.898 4.340 0.001 0.000 0.282 68 R C -0.761 175.613 176.300 0.123 0.000 0.969 68 R CA -0.676 55.519 56.100 0.158 0.000 0.918 68 R CB 2.466 32.827 30.300 0.102 0.000 1.175 68 R HN 0.619 nan 8.270 nan 0.000 0.464 69 S N 0.534 116.275 115.700 0.070 0.000 2.475 69 S HA 0.433 4.904 4.470 0.001 0.000 0.298 69 S C 0.502 175.128 174.600 0.044 0.000 1.119 69 S CA -0.437 57.801 58.200 0.063 0.000 1.085 69 S CB 1.711 64.946 63.200 0.057 0.000 1.028 69 S HN 0.730 nan 8.310 nan 0.000 0.489 70 A N 3.255 126.107 122.820 0.052 0.000 2.218 70 A HA 0.465 4.785 4.320 0.001 0.000 0.209 70 A C 1.562 179.168 177.584 0.036 0.000 1.168 70 A CA 0.462 52.525 52.037 0.043 0.000 0.804 70 A CB -1.124 17.910 19.000 0.057 0.000 0.834 70 A HN 2.038 nan 8.150 nan 0.000 0.482 71 G N 0.474 109.297 108.800 0.039 0.000 2.341 71 G HA2 -0.258 3.703 3.960 0.001 0.000 0.292 71 G HA3 -0.258 3.703 3.960 0.001 0.000 0.292 71 G C -0.039 174.888 174.900 0.045 0.000 1.021 71 G CA 0.487 45.610 45.100 0.038 0.000 0.905 71 G HN 0.781 nan 8.290 nan 0.000 0.508 72 D N -1.455 118.978 120.400 0.055 0.000 2.907 72 D HA -0.174 4.466 4.640 0.001 0.000 0.226 72 D C -0.050 176.286 176.300 0.059 0.000 1.141 72 D CA 1.872 55.914 54.000 0.070 0.000 0.779 72 D CB -1.116 39.734 40.800 0.085 0.000 1.095 72 D HN 0.832 nan 8.370 nan 0.000 0.430 73 D N -0.573 119.857 120.400 0.050 0.000 2.492 73 D HA 0.236 4.876 4.640 0.001 0.000 0.248 73 D C 1.258 177.587 176.300 0.047 0.000 1.101 73 D CA -0.632 53.394 54.000 0.042 0.000 0.840 73 D CB 0.758 41.576 40.800 0.031 0.000 1.209 73 D HN -0.242 nan 8.370 nan 0.000 0.524 74 N N 1.567 120.296 118.700 0.048 0.000 2.120 74 N HA -0.139 4.602 4.740 0.001 0.000 0.188 74 N C 1.380 176.923 175.510 0.056 0.000 1.024 74 N CA 0.792 53.875 53.050 0.054 0.000 0.852 74 N CB -0.093 38.424 38.487 0.050 0.000 1.003 74 N HN 0.301 nan 8.380 nan 0.000 0.424 75 S N 1.123 116.850 115.700 0.044 0.000 2.348 75 S HA -0.142 4.329 4.470 0.001 0.000 0.221 75 S C 1.909 176.534 174.600 0.042 0.000 1.033 75 S CA 1.261 59.486 58.200 0.041 0.000 1.010 75 S CB -0.166 63.049 63.200 0.025 0.000 0.891 75 S HN 0.311 nan 8.310 nan 0.000 0.442 76 K N 1.645 122.064 120.400 0.031 0.000 2.074 76 K HA -0.141 4.179 4.320 0.001 0.000 0.209 76 K C 2.221 178.844 176.600 0.038 0.000 1.048 76 K CA 1.659 57.959 56.287 0.021 0.000 0.926 76 K CB -0.408 32.099 32.500 0.011 0.000 0.713 76 K HN 0.367 nan 8.250 nan 0.000 0.444 77 Q N -0.780 119.055 119.800 0.058 0.000 2.124 77 Q HA -0.118 4.222 4.340 0.001 0.000 0.202 77 Q C 1.899 177.964 176.000 0.110 0.000 0.977 77 Q CA 1.463 57.315 55.803 0.082 0.000 0.850 77 Q CB -0.243 28.545 28.738 0.083 0.000 0.901 77 Q HN 0.451 nan 8.270 nan 0.000 0.429 78 A N 0.966 123.856 122.820 0.118 0.000 1.865 78 A HA -0.279 4.041 4.320 0.001 0.000 0.217 78 A C 1.793 179.533 177.584 0.261 0.000 1.191 78 A CA 1.859 54.008 52.037 0.187 0.000 0.623 78 A CB -0.714 18.393 19.000 0.178 0.000 0.826 78 A HN 0.519 nan 8.150 nan 0.000 0.444 79 E N -0.238 120.055 120.200 0.154 0.000 2.070 79 E HA -0.238 4.112 4.350 0.001 0.000 0.197 79 E C 1.664 178.326 176.600 0.104 0.000 1.004 79 E CA 1.427 57.895 56.400 0.113 0.000 0.805 79 E CB -0.246 29.466 29.700 0.021 0.000 0.744 79 E HN 0.572 nan 8.360 nan 0.000 0.451 80 D N 0.026 120.448 120.400 0.036 0.000 2.104 80 D HA -0.140 4.500 4.640 0.001 0.000 0.194 80 D C 2.104 178.431 176.300 0.046 0.000 0.994 80 D CA 0.909 54.863 54.000 -0.076 0.000 0.830 80 D CB -0.327 40.470 40.800 -0.004 0.000 0.959 80 D HN 0.051 nan 8.370 nan 0.000 0.452 81 V N 1.339 121.378 119.914 0.207 0.000 2.295 81 V HA -0.230 3.891 4.120 0.001 0.000 0.246 81 V C 2.359 178.558 176.094 0.175 0.000 1.049 81 V CA 1.508 63.965 62.300 0.261 0.000 1.024 81 V CB -0.601 31.298 31.823 0.127 0.000 0.648 81 V HN 0.317 nan 8.190 nan 0.000 0.447 82 H N -1.298 117.849 119.070 0.130 0.000 2.353 82 H HA -0.251 4.305 4.556 0.001 0.000 0.298 82 H C 2.224 177.607 175.328 0.091 0.000 1.103 82 H CA 2.613 58.719 56.048 0.097 0.000 1.293 82 H CB -0.306 29.499 29.762 0.071 0.000 1.372 82 H HN 0.636 nan 8.280 nan 0.000 0.501 83 Y N 0.726 121.050 120.300 0.041 0.000 2.114 83 Y HA -0.247 4.304 4.550 0.001 0.000 0.284 83 Y C 2.192 178.062 175.900 -0.050 0.000 1.143 83 Y CA 1.443 59.493 58.100 -0.084 0.000 1.135 83 Y CB -0.675 37.633 38.460 -0.254 0.000 0.980 83 Y HN -0.090 nan 8.280 nan 0.000 0.499 84 F N 0.101 120.146 119.950 0.158 0.000 2.171 84 F HA -0.252 4.275 4.527 0.001 0.000 0.300 84 F C 2.432 178.206 175.800 -0.043 0.000 1.090 84 F CA 1.613 59.631 58.000 0.029 0.000 1.293 84 F CB -0.876 38.192 39.000 0.113 0.000 1.013 84 F HN 0.145 nan 8.300 nan 0.000 0.486 85 M N -0.363 119.338 119.600 0.169 0.000 2.086 85 M HA -0.226 4.254 4.480 0.001 0.000 0.261 85 M C 1.828 178.144 176.300 0.028 0.000 1.067 85 M CA 1.682 57.030 55.300 0.080 0.000 1.116 85 M CB -0.492 32.137 32.600 0.048 0.000 1.348 85 M HN -0.051 nan 8.290 nan 0.000 0.407 86 D N 0.533 120.929 120.400 -0.007 0.000 2.144 86 D HA -0.177 4.464 4.640 0.001 0.000 0.199 86 D C 1.564 177.809 176.300 -0.091 0.000 0.984 86 D CA 1.472 55.445 54.000 -0.044 0.000 0.834 86 D CB -0.304 40.461 40.800 -0.058 0.000 0.955 86 D HN 0.612 nan 8.370 nan 0.000 0.465 87 E N -0.166 119.932 120.200 -0.170 0.000 2.502 87 E HA 0.185 4.536 4.350 0.001 0.000 0.194 87 E C 0.918 177.492 176.600 -0.044 0.000 1.062 87 E CA 0.453 56.766 56.400 -0.145 0.000 0.867 87 E CB -0.232 29.311 29.700 -0.261 0.000 0.888 87 E HN 0.072 nan 8.360 nan 0.000 0.510 88 G N 1.763 110.556 108.800 -0.012 0.000 2.333 88 G HA2 -0.297 3.663 3.960 0.001 0.000 0.296 88 G HA3 -0.297 3.663 3.960 0.001 0.000 0.296 88 G C 0.368 175.292 174.900 0.040 0.000 1.059 88 G CA 0.217 45.328 45.100 0.017 0.000 1.050 88 G HN 0.643 nan 8.290 nan 0.000 0.508 89 V N -2.387 117.562 119.914 0.059 0.000 2.872 89 V HA 0.275 4.396 4.120 0.001 0.000 0.307 89 V C 1.275 177.401 176.094 0.053 0.000 1.072 89 V CA 0.585 62.920 62.300 0.058 0.000 1.148 89 V CB 1.018 32.862 31.823 0.035 0.000 0.954 89 V HN 0.291 nan 8.190 nan 0.000 0.490 90 D N 2.034 122.480 120.400 0.076 0.000 2.277 90 D HA 0.152 4.792 4.640 0.001 0.000 0.208 90 D C 0.277 176.580 176.300 0.005 0.000 0.962 90 D CA 1.296 55.355 54.000 0.099 0.000 0.865 90 D CB 0.675 41.641 40.800 0.277 0.000 0.939 90 D HN 0.613 nan 8.370 nan 0.000 0.510 91 L N -0.027 121.167 121.223 -0.048 0.000 2.556 91 L HA 0.356 4.696 4.340 0.001 0.000 0.257 91 L C -2.030 174.765 176.870 -0.125 0.000 0.955 91 L CA -0.615 54.168 54.840 -0.095 0.000 0.850 91 L CB 2.320 44.279 42.059 -0.166 0.000 1.398 91 L HN -0.268 nan 8.230 nan 0.000 0.412 92 L N 4.646 125.805 121.223 -0.106 0.000 2.325 92 L HA 0.545 4.886 4.340 0.001 0.000 0.281 92 L C -0.729 176.060 176.870 -0.134 0.000 1.004 92 L CA -0.405 54.349 54.840 -0.143 0.000 0.823 92 L CB 1.762 43.784 42.059 -0.062 0.000 1.236 92 L HN 0.503 nan 8.230 nan 0.000 0.415 93 I N 5.308 125.770 120.570 -0.180 0.000 2.315 93 I HA 0.377 4.548 4.170 0.001 0.000 0.291 93 I C -0.462 175.599 176.117 -0.093 0.000 1.006 93 I CA -0.174 61.045 61.300 -0.135 0.000 1.265 93 I CB 1.110 39.022 38.000 -0.148 0.000 1.387 93 I HN 0.436 nan 8.210 nan 0.000 0.475 94 I N 5.295 125.834 120.570 -0.052 0.000 2.582 94 I HA 0.246 4.416 4.170 0.001 0.000 0.292 94 I C -0.271 175.849 176.117 0.004 0.000 1.066 94 I CA -0.397 60.899 61.300 -0.006 0.000 1.053 94 I CB 2.313 40.321 38.000 0.013 0.000 1.241 94 I HN 0.486 nan 8.210 nan 0.000 0.421 95 S N 4.236 119.955 115.700 0.032 0.000 2.505 95 S HA 0.685 5.156 4.470 0.001 0.000 0.280 95 S C 0.013 174.642 174.600 0.047 0.000 1.197 95 S CA -0.802 57.425 58.200 0.043 0.000 1.138 95 S CB 1.197 64.432 63.200 0.059 0.000 1.010 95 S HN 0.723 nan 8.310 nan 0.000 0.480 96 A N 3.222 126.068 122.820 0.042 0.000 2.526 96 A HA 0.160 4.481 4.320 0.001 0.000 0.267 96 A C 1.431 179.052 177.584 0.062 0.000 1.095 96 A CA -0.098 51.968 52.037 0.048 0.000 0.775 96 A CB -0.670 18.350 19.000 0.034 0.000 1.036 96 A HN 0.949 nan 8.150 nan 0.000 0.510 97 N N 2.635 121.376 118.700 0.068 0.000 2.037 97 N HA -0.177 4.563 4.740 0.001 0.000 0.196 97 N C 0.490 176.063 175.510 0.105 0.000 1.034 97 N CA 2.335 55.435 53.050 0.084 0.000 0.861 97 N CB 0.087 38.622 38.487 0.080 0.000 1.039 97 N HN 0.825 nan 8.380 nan 0.000 0.427 98 E N -2.847 117.403 120.200 0.083 0.000 2.369 98 E HA 0.546 4.897 4.350 0.001 0.000 0.270 98 E C -0.123 176.513 176.600 0.060 0.000 0.909 98 E CA -0.308 56.138 56.400 0.076 0.000 0.775 98 E CB 1.790 31.526 29.700 0.061 0.000 1.270 98 E HN 0.232 nan 8.360 nan 0.000 0.445 99 A N 1.375 124.227 122.820 0.053 0.000 1.861 99 A HA 0.040 4.360 4.320 0.001 0.000 0.212 99 A C 1.967 179.574 177.584 0.040 0.000 1.199 99 A CA 1.571 53.633 52.037 0.042 0.000 0.613 99 A CB -0.680 18.342 19.000 0.038 0.000 0.846 99 A HN 0.625 nan 8.150 nan 0.000 0.446 100 A N 0.424 123.267 122.820 0.038 0.000 1.858 100 A HA -0.009 4.312 4.320 0.001 0.000 0.216 100 A C 0.169 177.777 177.584 0.041 0.000 1.190 100 A CA 1.844 53.903 52.037 0.037 0.000 0.617 100 A CB -1.816 17.202 19.000 0.031 0.000 0.827 100 A HN 0.424 nan 8.150 nan 0.000 0.443 101 P HA -0.098 nan 4.420 nan 0.000 0.221 101 P C 1.177 178.510 177.300 0.055 0.000 1.145 101 P CA 1.172 64.300 63.100 0.047 0.000 0.795 101 P CB 0.002 31.730 31.700 0.047 0.000 0.775 102 M N -2.614 117.018 119.600 0.053 0.000 2.333 102 M HA 0.120 4.601 4.480 0.001 0.000 0.257 102 M C 1.373 177.705 176.300 0.053 0.000 1.078 102 M CA 0.910 56.244 55.300 0.056 0.000 1.005 102 M CB -0.883 31.749 32.600 0.053 0.000 1.444 102 M HN -0.265 nan 8.290 nan 0.000 0.496 103 T N 1.354 115.939 114.554 0.052 0.000 2.701 103 T HA -0.015 4.335 4.350 0.001 0.000 0.263 103 T C -0.952 173.785 174.700 0.062 0.000 1.040 103 T CA 1.423 63.555 62.100 0.055 0.000 1.147 103 T CB -1.185 67.714 68.868 0.052 0.000 0.865 103 T HN 0.251 nan 8.240 nan 0.000 0.426 104 P HA -0.018 nan 4.420 nan 0.000 0.216 104 P C 1.332 178.671 177.300 0.064 0.000 1.150 104 P CA 1.002 64.141 63.100 0.066 0.000 0.837 104 P CB -0.213 31.526 31.700 0.065 0.000 0.786 105 I N -0.812 119.793 120.570 0.059 0.000 2.252 105 I HA -0.171 3.999 4.170 0.001 0.000 0.245 105 I C 2.621 178.754 176.117 0.027 0.000 1.102 105 I CA 1.278 62.597 61.300 0.031 0.000 1.385 105 I CB -1.181 36.843 38.000 0.040 0.000 1.064 105 I HN -0.222 nan 8.210 nan 0.000 0.414 106 V N 0.094 120.039 119.914 0.051 0.000 2.358 106 V HA -0.249 3.872 4.120 0.001 0.000 0.246 106 V C 2.385 178.544 176.094 0.109 0.000 1.047 106 V CA 1.724 64.064 62.300 0.066 0.000 1.035 106 V CB -0.629 31.224 31.823 0.050 0.000 0.658 106 V HN 0.421 nan 8.190 nan 0.000 0.452 107 E N -0.215 120.050 120.200 0.109 0.000 2.118 107 E HA -0.298 4.052 4.350 0.001 0.000 0.195 107 E C 2.251 178.941 176.600 0.150 0.000 0.992 107 E CA 1.616 58.105 56.400 0.150 0.000 0.804 107 E CB -0.086 29.683 29.700 0.115 0.000 0.741 107 E HN 0.709 nan 8.360 nan 0.000 0.458 108 E N 0.487 120.743 120.200 0.094 0.000 2.031 108 E HA -0.200 4.150 4.350 0.001 0.000 0.193 108 E C 2.042 178.682 176.600 0.067 0.000 0.994 108 E CA 1.062 57.501 56.400 0.064 0.000 0.800 108 E CB -0.115 29.602 29.700 0.027 0.000 0.752 108 E HN 0.209 nan 8.360 nan 0.000 0.447 109 A N -0.021 122.840 122.820 0.068 0.000 2.019 109 A HA -0.187 4.133 4.320 0.001 0.000 0.219 109 A C 1.964 179.635 177.584 0.144 0.000 1.164 109 A CA 1.349 53.432 52.037 0.076 0.000 0.644 109 A CB -0.698 18.341 19.000 0.065 0.000 0.805 109 A HN 0.573 nan 8.150 nan 0.000 0.449 110 Y N 0.271 120.588 120.300 0.029 0.000 2.206 110 Y HA -0.110 4.441 4.550 0.001 0.000 0.292 110 Y C 2.818 178.735 175.900 0.028 0.000 1.123 110 Y CA 1.921 60.044 58.100 0.038 0.000 1.142 110 Y CB -0.695 37.800 38.460 0.059 0.000 1.006 110 Y HN 0.321 nan 8.280 nan 0.000 0.518 111 Q N 0.239 120.032 119.800 -0.012 0.000 2.170 111 Q HA -0.191 4.149 4.340 0.001 0.000 0.203 111 Q C 2.239 178.189 176.000 -0.084 0.000 0.976 111 Q CA 1.591 57.334 55.803 -0.101 0.000 0.858 111 Q CB -0.449 28.284 28.738 -0.009 0.000 0.907 111 Q HN 0.553 nan 8.270 nan 0.000 0.433 112 K N -0.825 119.557 120.400 -0.030 0.000 2.519 112 K HA -0.075 4.245 4.320 0.001 0.000 0.196 112 K C 1.112 177.690 176.600 -0.036 0.000 1.041 112 K CA 0.787 57.062 56.287 -0.019 0.000 0.954 112 K CB -0.254 32.251 32.500 0.009 0.000 0.774 112 K HN 0.479 nan 8.250 nan 0.000 0.480 113 G N 0.549 109.301 108.800 -0.081 0.000 2.157 113 G HA2 -0.228 3.733 3.960 0.001 0.000 0.239 113 G HA3 -0.228 3.733 3.960 0.001 0.000 0.239 113 G C 0.039 174.923 174.900 -0.026 0.000 0.982 113 G CA 0.097 45.144 45.100 -0.090 0.000 0.650 113 G HN 0.254 nan 8.290 nan 0.000 0.527 114 I N 2.791 123.372 120.570 0.019 0.000 2.371 114 I HA 0.288 4.458 4.170 0.001 0.000 0.290 114 I C -1.590 174.596 176.117 0.116 0.000 1.028 114 I CA -2.235 59.097 61.300 0.054 0.000 1.345 114 I CB 1.076 39.109 38.000 0.054 0.000 1.407 114 I HN -0.095 nan 8.210 nan 0.000 0.501 115 P HA 0.109 nan 4.420 nan 0.000 0.271 115 P C -0.726 176.621 177.300 0.078 0.000 1.216 115 P CA -0.052 63.118 63.100 0.116 0.000 0.771 115 P CB 1.022 32.723 31.700 0.001 0.000 0.864 116 V N 5.232 125.214 119.914 0.112 0.000 2.448 116 V HA 0.371 4.491 4.120 0.001 0.000 0.295 116 V C 0.497 176.596 176.094 0.009 0.000 1.025 116 V CA -0.617 61.707 62.300 0.041 0.000 0.859 116 V CB 1.614 33.470 31.823 0.055 0.000 0.988 116 V HN 0.385 nan 8.190 nan 0.000 0.431 117 I N 5.472 126.016 120.570 -0.044 0.000 2.312 117 I HA 0.308 4.479 4.170 0.001 0.000 0.290 117 I C -0.727 175.339 176.117 -0.085 0.000 1.008 117 I CA -0.644 60.618 61.300 -0.063 0.000 1.226 117 I CB 1.492 39.427 38.000 -0.108 0.000 1.371 117 I HN 0.339 nan 8.210 nan 0.000 0.468 118 L N 8.129 129.284 121.223 -0.114 0.000 2.313 118 L HA 0.309 4.649 4.340 0.001 0.000 0.282 118 L C -0.082 176.739 176.870 -0.083 0.000 1.092 118 L CA 0.023 54.801 54.840 -0.103 0.000 0.831 118 L CB 1.169 43.093 42.059 -0.225 0.000 1.159 118 L HN 0.254 nan 8.230 nan 0.000 0.442 119 V N 3.533 123.409 119.914 -0.062 0.000 2.495 119 V HA 0.423 4.544 4.120 0.001 0.000 0.298 119 V C 0.534 176.643 176.094 0.025 0.000 1.031 119 V CA -0.131 62.102 62.300 -0.111 0.000 0.871 119 V CB 1.285 33.062 31.823 -0.077 0.000 0.988 119 V HN 0.938 nan 8.190 nan 0.000 0.432 120 D N 3.558 123.970 120.400 0.019 0.000 4.365 120 D HA -0.260 4.380 4.640 0.001 0.000 0.211 120 D C 0.609 177.104 176.300 0.325 0.000 1.059 120 D CA 2.148 56.275 54.000 0.211 0.000 2.239 120 D CB -0.598 40.326 40.800 0.206 0.000 1.164 120 D HN 0.626 nan 8.370 nan 0.000 0.406 121 R N 1.033 121.652 120.500 0.198 0.000 2.543 121 R HA 0.694 5.035 4.340 0.001 0.000 0.268 121 R C 0.069 176.443 176.300 0.122 0.000 1.067 121 R CA -0.453 55.735 56.100 0.146 0.000 1.142 121 R CB 1.038 31.387 30.300 0.082 0.000 1.110 121 R HN 0.249 nan 8.270 nan 0.000 0.549 122 K N 0.787 121.206 120.400 0.031 0.000 2.352 122 K HA 0.475 4.796 4.320 0.001 0.000 0.240 122 K C -0.144 176.433 176.600 -0.038 0.000 1.017 122 K CA -0.771 55.474 56.287 -0.070 0.000 0.851 122 K CB 1.756 34.155 32.500 -0.167 0.000 1.261 122 K HN 0.484 nan 8.250 nan 0.000 0.451 123 I N -1.848 118.686 120.570 -0.060 0.000 3.062 123 I HA 0.249 4.420 4.170 0.001 0.000 0.316 123 I C 0.907 177.033 176.117 0.015 0.000 1.041 123 I CA -0.784 60.513 61.300 -0.005 0.000 1.069 123 I CB 0.680 38.687 38.000 0.011 0.000 1.300 123 I HN 0.503 nan 8.210 nan 0.000 0.518 124 L N 0.835 122.079 121.223 0.034 0.000 2.156 124 L HA -0.010 4.330 4.340 0.001 0.000 0.208 124 L C 1.577 178.478 176.870 0.051 0.000 1.095 124 L CA 0.953 55.816 54.840 0.038 0.000 0.770 124 L CB -0.591 41.490 42.059 0.036 0.000 0.914 124 L HN 0.907 nan 8.230 nan 0.000 0.439 125 S N -0.898 114.845 115.700 0.072 0.000 2.758 125 S HA 0.131 4.601 4.470 0.001 0.000 0.292 125 S C 0.522 175.201 174.600 0.131 0.000 1.131 125 S CA -0.283 57.965 58.200 0.080 0.000 0.997 125 S CB 1.498 64.740 63.200 0.070 0.000 1.111 125 S HN 0.280 nan 8.310 nan 0.000 0.552 126 D N -0.943 119.489 120.400 0.053 0.000 2.349 126 D HA 0.050 4.690 4.640 0.001 0.000 0.214 126 D C -0.171 175.962 176.300 -0.279 0.000 1.063 126 D CA -0.051 53.904 54.000 -0.074 0.000 0.847 126 D CB -0.305 40.436 40.800 -0.098 0.000 0.933 126 D HN 0.493 nan 8.370 nan 0.000 0.513 127 K N 1.023 121.373 120.400 -0.085 0.000 2.127 127 K HA 0.240 4.560 4.320 0.001 0.000 0.261 127 K C -0.980 175.319 176.600 -0.501 0.000 1.129 127 K CA -0.227 55.973 56.287 -0.145 0.000 0.993 127 K CB -0.339 32.240 32.500 0.132 0.000 1.410 127 K HN 0.324 nan 8.250 nan 0.000 0.380 128 Y N -2.930 116.851 120.300 -0.866 0.000 2.702 128 Y HA 0.151 4.701 4.550 0.001 0.000 0.336 128 Y C 0.720 176.267 175.900 -0.587 0.000 1.203 128 Y CA -1.252 56.269 58.100 -0.966 0.000 1.072 128 Y CB 0.574 38.813 38.460 -0.368 0.000 1.327 128 Y HN 0.025 nan 8.280 nan 0.000 0.456 129 T N 0.809 115.306 114.554 -0.096 0.000 2.698 129 T HA 0.395 4.745 4.350 0.001 0.000 0.260 129 T C 0.500 175.367 174.700 0.278 0.000 1.044 129 T CA 1.670 63.860 62.100 0.150 0.000 1.149 129 T CB -0.298 68.656 68.868 0.143 0.000 0.864 129 T HN 0.986 nan 8.240 nan 0.000 0.419 130 A N -0.201 122.838 122.820 0.365 0.000 2.574 130 A HA 0.650 4.971 4.320 0.001 0.000 0.297 130 A C -1.975 175.815 177.584 0.342 0.000 1.062 130 A CA -0.828 51.440 52.037 0.385 0.000 0.686 130 A CB 1.021 20.164 19.000 0.239 0.000 1.285 130 A HN 0.319 nan 8.150 nan 0.000 0.403 131 Y N 1.214 121.642 120.300 0.214 0.000 2.409 131 Y HA 0.789 5.339 4.550 0.001 0.000 0.339 131 Y C -0.823 175.094 175.900 0.029 0.000 1.033 131 Y CA -1.059 57.048 58.100 0.012 0.000 1.094 131 Y CB 1.379 39.827 38.460 -0.019 0.000 1.210 131 Y HN 0.766 nan 8.280 nan 0.000 0.456 132 I N 5.502 125.521 120.570 -0.920 0.000 2.569 132 I HA 0.808 4.979 4.170 0.001 0.000 0.290 132 I C -0.660 174.815 176.117 -1.070 0.000 1.088 132 I CA -0.196 60.631 61.300 -0.788 0.000 1.047 132 I CB 1.604 39.397 38.000 -0.346 0.000 1.237 132 I HN 0.861 nan 8.210 nan 0.000 0.421 133 G N 4.437 112.811 108.800 -0.710 0.000 2.340 133 G HA2 0.643 4.603 3.960 0.001 0.000 0.299 133 G HA3 0.643 4.603 3.960 0.001 0.000 0.299 133 G C -1.963 172.921 174.900 -0.025 0.000 1.291 133 G CA -0.089 44.830 45.100 -0.302 0.000 0.841 133 G HN 0.853 nan 8.290 nan 0.000 0.500 134 A N -0.771 122.103 122.820 0.091 0.000 2.261 134 A HA 0.703 5.024 4.320 0.001 0.000 0.323 134 A C -0.516 177.257 177.584 0.316 0.000 1.107 134 A CA -0.274 51.877 52.037 0.191 0.000 0.883 134 A CB 1.193 20.316 19.000 0.205 0.000 1.251 134 A HN 0.553 nan 8.150 nan 0.000 0.502 135 D N 0.487 121.038 120.400 0.251 0.000 2.402 135 D HA 0.087 4.728 4.640 0.001 0.000 0.235 135 D C 0.494 176.923 176.300 0.215 0.000 1.226 135 D CA -0.044 54.090 54.000 0.225 0.000 0.918 135 D CB 0.063 40.967 40.800 0.174 0.000 1.043 135 D HN 0.417 nan 8.370 nan 0.000 0.506 136 N N 2.676 121.507 118.700 0.218 0.000 2.244 136 N HA -0.206 4.534 4.740 0.001 0.000 0.183 136 N C 1.376 176.941 175.510 0.092 0.000 1.016 136 N CA 0.612 53.736 53.050 0.122 0.000 0.866 136 N CB -0.057 38.488 38.487 0.096 0.000 0.980 136 N HN 0.564 nan 8.380 nan 0.000 0.430 137 Y N 2.119 122.436 120.300 0.028 0.000 2.163 137 Y HA -0.129 4.422 4.550 0.001 0.000 0.288 137 Y C 2.203 178.100 175.900 -0.005 0.000 1.136 137 Y CA 1.400 59.508 58.100 0.013 0.000 1.147 137 Y CB 0.146 38.617 38.460 0.018 0.000 0.987 137 Y HN -0.081 nan 8.280 nan 0.000 0.509 138 E N 0.270 120.595 120.200 0.209 0.000 2.208 138 E HA -0.130 4.220 4.350 0.001 0.000 0.193 138 E C 2.261 178.834 176.600 -0.044 0.000 0.988 138 E CA 0.998 57.462 56.400 0.108 0.000 0.828 138 E CB -0.275 29.506 29.700 0.135 0.000 0.763 138 E HN 0.605 nan 8.360 nan 0.000 0.478 139 I N 0.585 121.115 120.570 -0.067 0.000 2.179 139 I HA -0.210 3.961 4.170 0.001 0.000 0.242 139 I C 2.436 178.324 176.117 -0.382 0.000 1.088 139 I CA 1.360 62.513 61.300 -0.244 0.000 1.357 139 I CB -0.610 37.308 38.000 -0.136 0.000 1.051 139 I HN 0.132 nan 8.210 nan 0.000 0.409 140 G N 0.534 109.188 108.800 -0.243 0.000 2.513 140 G HA2 -0.319 3.641 3.960 0.001 0.000 0.219 140 G HA3 -0.319 3.641 3.960 0.001 0.000 0.219 140 G C 1.811 176.570 174.900 -0.236 0.000 1.160 140 G CA 0.826 45.801 45.100 -0.209 0.000 0.767 140 G HN 0.267 nan 8.290 nan 0.000 0.571 141 R N 0.234 120.584 120.500 -0.251 0.000 2.081 141 R HA -0.058 4.282 4.340 0.001 0.000 0.235 141 R C 2.846 179.055 176.300 -0.152 0.000 1.131 141 R CA 1.620 57.610 56.100 -0.184 0.000 0.960 141 R CB -0.350 29.890 30.300 -0.099 0.000 0.856 141 R HN 0.384 nan 8.270 nan 0.000 0.436 142 S N 0.172 115.743 115.700 -0.214 0.000 2.368 142 S HA -0.117 4.353 4.470 0.001 0.000 0.225 142 S C 2.012 176.477 174.600 -0.225 0.000 1.030 142 S CA 1.361 59.445 58.200 -0.193 0.000 0.999 142 S CB -0.261 62.768 63.200 -0.285 0.000 0.844 142 S HN 0.133 nan 8.310 nan 0.000 0.459 143 V N 1.884 121.456 119.914 -0.570 0.000 2.255 143 V HA -0.209 3.912 4.120 0.001 0.000 0.247 143 V C 2.669 178.718 176.094 -0.075 0.000 1.051 143 V CA 2.079 64.174 62.300 -0.342 0.000 1.018 143 V CB -1.602 29.814 31.823 -0.679 0.000 0.641 143 V HN 0.597 nan 8.190 nan 0.000 0.445 144 G N 0.167 108.921 108.800 -0.077 0.000 2.476 144 G HA2 -0.310 3.651 3.960 0.001 0.000 0.218 144 G HA3 -0.310 3.651 3.960 0.001 0.000 0.218 144 G C 1.434 176.260 174.900 -0.122 0.000 1.164 144 G CA 1.115 46.148 45.100 -0.111 0.000 0.768 144 G HN 0.528 nan 8.290 nan 0.000 0.560 145 N N -0.331 118.340 118.700 -0.049 0.000 2.120 145 N HA -0.123 4.617 4.740 0.001 0.000 0.188 145 N C 1.855 177.361 175.510 -0.006 0.000 1.024 145 N CA 1.188 54.227 53.050 -0.017 0.000 0.852 145 N CB -0.542 37.987 38.487 0.070 0.000 1.003 145 N HN 0.508 nan 8.380 nan 0.000 0.424 146 Y N 1.546 121.847 120.300 0.002 0.000 2.181 146 Y HA -0.086 4.465 4.550 0.001 0.000 0.288 146 Y C 2.227 178.110 175.900 -0.028 0.000 1.146 146 Y CA 1.375 59.501 58.100 0.043 0.000 1.164 146 Y CB -0.234 38.341 38.460 0.190 0.000 0.982 146 Y HN -0.036 nan 8.280 nan 0.000 0.515 147 I N -0.113 120.542 120.570 0.142 0.000 2.252 147 I HA -0.295 3.875 4.170 0.001 0.000 0.245 147 I C 2.661 178.674 176.117 -0.173 0.000 1.102 147 I CA 1.116 62.433 61.300 0.029 0.000 1.385 147 I CB -0.720 37.331 38.000 0.085 0.000 1.064 147 I HN 0.312 nan 8.210 nan 0.000 0.414 148 A N -0.260 122.362 122.820 -0.331 0.000 1.933 148 A HA -0.238 4.083 4.320 0.001 0.000 0.218 148 A C 2.494 179.800 177.584 -0.463 0.000 1.175 148 A CA 2.261 53.919 52.037 -0.632 0.000 0.628 148 A CB -0.749 17.381 19.000 -1.450 0.000 0.814 148 A HN 0.393 nan 8.150 nan 0.000 0.444 149 S N -0.834 114.662 115.700 -0.339 0.000 2.355 149 S HA -0.130 4.340 4.470 0.001 0.000 0.222 149 S C 2.354 176.818 174.600 -0.228 0.000 1.031 149 S CA 1.835 59.898 58.200 -0.229 0.000 0.993 149 S CB -0.408 62.668 63.200 -0.207 0.000 0.859 149 S HN 0.654 nan 8.310 nan 0.000 0.453 150 S N 0.348 115.868 115.700 -0.299 0.000 2.402 150 S HA 0.143 4.614 4.470 0.001 0.000 0.229 150 S C 1.521 176.035 174.600 -0.143 0.000 1.021 150 S CA 0.765 58.815 58.200 -0.251 0.000 0.974 150 S CB -0.351 62.663 63.200 -0.310 0.000 0.800 150 S HN 0.582 nan 8.310 nan 0.000 0.484 151 L N 0.439 121.578 121.223 -0.140 0.000 2.611 151 L HA 0.320 4.660 4.340 0.001 0.000 0.229 151 L C 0.624 177.441 176.870 -0.087 0.000 1.137 151 L CA 0.053 54.834 54.840 -0.098 0.000 0.901 151 L CB -0.252 41.750 42.059 -0.094 0.000 1.098 151 L HN 0.223 nan 8.230 nan 0.000 0.456 152 K N 0.490 120.831 120.400 -0.098 0.000 3.071 152 K HA -0.231 4.090 4.320 0.001 0.000 0.265 152 K C 0.972 177.560 176.600 -0.021 0.000 1.060 152 K CA 0.402 56.658 56.287 -0.052 0.000 0.767 152 K CB -1.659 30.824 32.500 -0.027 0.000 1.241 152 K HN 0.600 nan 8.250 nan 0.000 0.486 153 G N -1.065 107.689 108.800 -0.076 0.000 2.155 153 G HA2 -0.346 3.614 3.960 0.001 0.000 0.257 153 G HA3 -0.346 3.614 3.960 0.001 0.000 0.257 153 G C -0.301 174.621 174.900 0.037 0.000 0.983 153 G CA 0.648 45.762 45.100 0.023 0.000 0.676 153 G HN 0.412 nan 8.290 nan 0.000 0.528 154 K N -0.773 119.615 120.400 -0.019 0.000 2.535 154 K HA 0.799 5.119 4.320 0.001 0.000 0.250 154 K C 0.111 176.696 176.600 -0.026 0.000 0.948 154 K CA 0.743 57.027 56.287 -0.006 0.000 0.796 154 K CB 1.276 33.779 32.500 0.005 0.000 1.216 154 K HN 2.177 nan 8.250 nan 0.000 0.432 155 G N 2.253 111.040 108.800 -0.021 0.000 2.352 155 G HA2 0.140 4.100 3.960 0.001 0.000 0.302 155 G HA3 0.140 4.100 3.960 0.001 0.000 0.302 155 G C -2.012 172.875 174.900 -0.022 0.000 1.370 155 G CA -0.971 44.114 45.100 -0.025 0.000 0.918 155 G HN 0.627 nan 8.290 nan 0.000 0.610 156 N N -0.071 118.613 118.700 -0.026 0.000 2.408 156 N HA 0.648 5.388 4.740 0.001 0.000 0.280 156 N C -0.332 175.163 175.510 -0.025 0.000 1.002 156 N CA -0.333 52.698 53.050 -0.032 0.000 0.907 156 N CB 1.727 40.181 38.487 -0.055 0.000 1.161 156 N HN 0.519 nan 8.380 nan 0.000 0.488 157 I N 1.256 121.831 120.570 0.009 0.000 2.441 157 I HA 0.387 4.557 4.170 0.001 0.000 0.295 157 I C 0.146 176.275 176.117 0.020 0.000 0.994 157 I CA -1.292 60.038 61.300 0.051 0.000 1.144 157 I CB 1.822 39.946 38.000 0.205 0.000 1.314 157 I HN 0.158 nan 8.210 nan 0.000 0.445 158 V N 2.113 122.020 119.914 -0.011 0.000 2.581 158 V HA 0.614 4.734 4.120 0.001 0.000 0.303 158 V C -0.544 175.531 176.094 -0.031 0.000 1.041 158 V CA -0.535 61.748 62.300 -0.028 0.000 0.907 158 V CB 1.775 33.575 31.823 -0.039 0.000 0.994 158 V HN 0.897 nan 8.190 nan 0.000 0.442 159 E N 3.451 123.604 120.200 -0.078 0.000 2.210 159 E HA 0.624 4.975 4.350 0.001 0.000 0.266 159 E C -1.711 174.725 176.600 -0.272 0.000 0.883 159 E CA -0.876 55.405 56.400 -0.198 0.000 0.761 159 E CB 2.077 31.648 29.700 -0.214 0.000 1.156 159 E HN 0.872 nan 8.360 nan 0.000 0.412 160 L N 4.503 125.511 121.223 -0.359 0.000 2.318 160 L HA 0.324 4.664 4.340 0.001 0.000 0.277 160 L C 0.277 176.739 176.870 -0.681 0.000 1.008 160 L CA -0.704 53.907 54.840 -0.381 0.000 0.846 160 L CB 1.534 43.471 42.059 -0.205 0.000 1.220 160 L HN 0.616 nan 8.230 nan 0.000 0.423 161 T N -0.145 113.889 114.554 -0.867 0.000 2.899 161 T HA 0.567 4.918 4.350 0.001 0.000 0.284 161 T C 0.790 174.837 174.700 -1.089 0.000 1.004 161 T CA -0.258 60.954 62.100 -1.480 0.000 1.043 161 T CB 1.755 69.989 68.868 -1.056 0.000 1.013 161 T HN 0.503 nan 8.240 nan 0.000 0.518 162 G N 0.650 108.678 108.800 -1.286 0.000 2.583 162 G HA2 0.404 4.364 3.960 0.001 0.000 0.275 162 G HA3 0.404 4.364 3.960 0.001 0.000 0.275 162 G C -0.259 173.888 174.900 -1.255 0.000 1.342 162 G CA -0.933 42.957 45.100 -2.016 0.000 1.030 162 G HN 0.844 nan 8.290 nan 0.000 0.520 163 L N 0.549 121.016 121.223 -1.260 0.000 2.615 163 L HA 0.107 4.448 4.340 0.001 0.000 0.271 163 L C 1.911 178.615 176.870 -0.277 0.000 1.183 163 L CA 0.616 55.175 54.840 -0.469 0.000 0.933 163 L CB 0.426 42.408 42.059 -0.128 0.000 1.199 163 L HN 0.467 nan 8.230 nan 0.000 0.487 164 S N 3.418 118.976 115.700 -0.237 0.000 2.389 164 S HA -0.193 4.277 4.470 0.001 0.000 0.231 164 S C 1.438 175.995 174.600 -0.071 0.000 1.052 164 S CA 1.791 59.893 58.200 -0.163 0.000 1.053 164 S CB -0.428 62.685 63.200 -0.144 0.000 0.886 164 S HN 0.983 nan 8.310 nan 0.000 0.456 165 G N 0.617 109.395 108.800 -0.035 0.000 3.026 165 G HA2 0.169 4.130 3.960 0.001 0.000 0.208 165 G HA3 0.169 4.130 3.960 0.001 0.000 0.208 165 G C 0.269 175.200 174.900 0.051 0.000 1.169 165 G CA 0.303 45.408 45.100 0.009 0.000 0.788 165 G HN 0.576 nan 8.290 nan 0.000 0.533 166 S N -0.489 115.262 115.700 0.084 0.000 2.554 166 S HA 0.373 4.843 4.470 0.001 0.000 0.278 166 S C 1.501 176.188 174.600 0.146 0.000 1.242 166 S CA 0.323 58.618 58.200 0.158 0.000 1.051 166 S CB 1.659 65.055 63.200 0.327 0.000 0.986 166 S HN 0.241 nan 8.310 nan 0.000 0.502 167 T N -0.659 113.970 114.554 0.125 0.000 2.821 167 T HA 0.032 4.382 4.350 0.001 0.000 0.267 167 T C -1.127 173.653 174.700 0.133 0.000 1.046 167 T CA 0.916 63.078 62.100 0.103 0.000 1.139 167 T CB -1.822 67.079 68.868 0.055 0.000 0.871 167 T HN 0.496 nan 8.240 nan 0.000 0.454 168 P HA 0.069 nan 4.420 nan 0.000 0.215 168 P C 1.822 179.238 177.300 0.193 0.000 1.153 168 P CA 1.571 64.765 63.100 0.157 0.000 0.853 168 P CB -0.412 31.355 31.700 0.113 0.000 0.788 169 A N -1.268 121.723 122.820 0.285 0.000 1.930 169 A HA -0.172 4.148 4.320 0.001 0.000 0.217 169 A C 2.189 179.870 177.584 0.162 0.000 1.175 169 A CA 1.717 53.855 52.037 0.169 0.000 0.627 169 A CB -1.401 17.523 19.000 -0.126 0.000 0.815 169 A HN 0.101 nan 8.150 nan 0.000 0.443 170 M N -0.767 118.907 119.600 0.124 0.000 2.086 170 M HA -0.180 4.300 4.480 0.001 0.000 0.261 170 M C 2.069 178.473 176.300 0.173 0.000 1.067 170 M CA 1.900 57.283 55.300 0.139 0.000 1.116 170 M CB -0.384 32.281 32.600 0.108 0.000 1.348 170 M HN 0.471 nan 8.290 nan 0.000 0.407 171 E N -0.333 119.952 120.200 0.141 0.000 2.107 171 E HA -0.140 4.210 4.350 0.001 0.000 0.191 171 E C 2.087 178.704 176.600 0.029 0.000 0.982 171 E CA 0.847 57.334 56.400 0.146 0.000 0.809 171 E CB -0.049 29.752 29.700 0.169 0.000 0.756 171 E HN 0.437 nan 8.360 nan 0.000 0.459 172 R N -0.227 120.259 120.500 -0.024 0.000 2.115 172 R HA -0.128 4.212 4.340 0.001 0.000 0.230 172 R C 2.268 178.568 176.300 -0.001 0.000 1.111 172 R CA 1.341 57.351 56.100 -0.150 0.000 0.976 172 R CB -0.226 29.776 30.300 -0.497 0.000 0.870 172 R HN 0.258 nan 8.270 nan 0.000 0.445 173 H N 0.336 119.434 119.070 0.046 0.000 2.372 173 H HA 0.006 4.563 4.556 0.001 0.000 0.301 173 H C 2.038 177.471 175.328 0.174 0.000 1.065 173 H CA 1.450 57.616 56.048 0.197 0.000 1.364 173 H CB 0.174 30.032 29.762 0.160 0.000 1.406 173 H HN 0.083 nan 8.280 nan 0.000 0.521 174 Q N -0.330 119.419 119.800 -0.084 0.000 2.123 174 Q HA -0.061 4.280 4.340 0.001 0.000 0.199 174 Q C 2.395 178.140 176.000 -0.425 0.000 0.966 174 Q CA 1.132 56.828 55.803 -0.178 0.000 0.845 174 Q CB -0.261 28.533 28.738 0.093 0.000 0.907 174 Q HN 0.657 nan 8.270 nan 0.000 0.439 175 G N 0.282 108.636 108.800 -0.743 0.000 2.418 175 G HA2 -0.297 3.664 3.960 0.001 0.000 0.217 175 G HA3 -0.297 3.664 3.960 0.001 0.000 0.217 175 G C 1.153 175.790 174.900 -0.438 0.000 1.158 175 G CA 0.665 45.112 45.100 -1.088 0.000 0.771 175 G HN 0.460 nan 8.290 nan 0.000 0.545 176 F N 1.199 120.933 119.950 -0.361 0.000 2.075 176 F HA -0.099 4.429 4.527 0.001 0.000 0.297 176 F C 2.633 178.311 175.800 -0.203 0.000 1.113 176 F CA 1.696 59.552 58.000 -0.240 0.000 1.218 176 F CB -0.079 38.890 39.000 -0.051 0.000 0.984 176 F HN -0.005 nan 8.300 nan 0.000 0.472 177 M N 0.878 120.286 119.600 -0.320 0.000 2.144 177 M HA -0.199 4.281 4.480 0.001 0.000 0.260 177 M C 2.499 178.641 176.300 -0.263 0.000 1.067 177 M CA 1.680 56.774 55.300 -0.343 0.000 1.095 177 M CB -2.194 30.255 32.600 -0.252 0.000 1.365 177 M HN 0.393 nan 8.290 nan 0.000 0.406 178 A N 0.005 122.696 122.820 -0.215 0.000 1.877 178 A HA 0.005 4.325 4.320 0.001 0.000 0.216 178 A C 2.461 179.980 177.584 -0.108 0.000 1.186 178 A CA 2.241 54.214 52.037 -0.106 0.000 0.620 178 A CB -0.962 18.022 19.000 -0.026 0.000 0.822 178 A HN 0.474 nan 8.150 nan 0.000 0.443 179 A N 0.620 123.340 122.820 -0.166 0.000 1.858 179 A HA -0.086 4.234 4.320 0.001 0.000 0.216 179 A C 2.104 179.659 177.584 -0.050 0.000 1.190 179 A CA 1.629 53.608 52.037 -0.097 0.000 0.617 179 A CB -0.823 18.093 19.000 -0.139 0.000 0.827 179 A HN 1.080 nan 8.150 nan 0.000 0.443 180 I N -1.084 119.320 120.570 -0.276 0.000 3.291 180 I HA -0.055 4.115 4.170 0.001 0.000 0.279 180 I C 1.963 178.055 176.117 -0.041 0.000 1.294 180 I CA 1.423 62.608 61.300 -0.192 0.000 1.428 180 I CB -0.274 37.416 38.000 -0.516 0.000 1.070 180 I HN 0.266 nan 8.210 nan 0.000 0.478 181 S N 1.461 117.116 115.700 -0.075 0.000 2.423 181 S HA -0.085 4.385 4.470 0.001 0.000 0.231 181 S C 1.748 176.329 174.600 -0.031 0.000 1.014 181 S CA 0.702 58.874 58.200 -0.047 0.000 0.965 181 S CB -0.560 62.607 63.200 -0.056 0.000 0.785 181 S HN 0.596 nan 8.310 nan 0.000 0.495 182 K N 0.329 120.711 120.400 -0.030 0.000 2.505 182 K HA 0.197 4.517 4.320 0.001 0.000 0.192 182 K C -0.934 175.411 176.600 -0.425 0.000 1.025 182 K CA 0.178 56.342 56.287 -0.204 0.000 1.086 182 K CB -0.068 32.272 32.500 -0.267 0.000 0.840 182 K HN 0.420 nan 8.250 nan 0.000 0.514 183 F N 1.084 120.986 119.950 -0.080 0.000 2.552 183 F HA 0.233 4.760 4.527 0.001 0.000 0.369 183 F C -1.753 174.011 175.800 -0.060 0.000 1.112 183 F CA -2.470 55.489 58.000 -0.068 0.000 1.129 183 F CB 1.578 40.532 39.000 -0.077 0.000 1.360 183 F HN -0.153 nan 8.300 nan 0.000 0.473 184 P HA -0.150 nan 4.420 nan 0.000 0.221 184 P C 0.628 177.955 177.300 0.045 0.000 1.145 184 P CA 1.377 64.495 63.100 0.030 0.000 0.795 184 P CB 0.443 32.143 31.700 -0.001 0.000 0.775 185 D N -1.070 119.373 120.400 0.072 0.000 2.339 185 D HA 0.073 4.713 4.640 0.001 0.000 0.217 185 D C 0.605 176.927 176.300 0.037 0.000 1.050 185 D CA 0.236 54.266 54.000 0.050 0.000 0.856 185 D CB 0.307 41.136 40.800 0.050 0.000 0.922 185 D HN 0.156 nan 8.370 nan 0.000 0.518 186 I N 2.092 122.691 120.570 0.048 0.000 2.304 186 I HA 0.128 4.298 4.170 0.001 0.000 0.291 186 I C 0.365 176.483 176.117 0.002 0.000 1.018 186 I CA -0.326 60.975 61.300 0.002 0.000 1.260 186 I CB 0.924 38.896 38.000 -0.047 0.000 1.390 186 I HN -0.421 nan 8.210 nan 0.000 0.475 187 K N 5.876 126.277 120.400 0.002 0.000 2.221 187 K HA 0.419 4.740 4.320 0.001 0.000 0.258 187 K C -0.697 175.921 176.600 0.030 0.000 0.944 187 K CA -1.088 55.204 56.287 0.008 0.000 0.823 187 K CB 2.688 35.186 32.500 -0.003 0.000 1.113 187 K HN 0.329 nan 8.250 nan 0.000 0.431 188 L N 4.982 126.242 121.223 0.062 0.000 2.295 188 L HA 0.224 4.564 4.340 0.001 0.000 0.288 188 L C 0.825 177.708 176.870 0.023 0.000 1.079 188 L CA 0.196 55.101 54.840 0.107 0.000 0.830 188 L CB -0.103 42.088 42.059 0.220 0.000 1.200 188 L HN 0.710 nan 8.230 nan 0.000 0.438 189 I N 0.041 120.575 120.570 -0.060 0.000 3.228 189 I HA 0.410 4.581 4.170 0.001 0.000 0.279 189 I C 0.038 176.031 176.117 -0.206 0.000 1.221 189 I CA 0.250 61.442 61.300 -0.180 0.000 1.458 189 I CB 0.120 37.906 38.000 -0.356 0.000 1.105 189 I HN 0.431 nan 8.210 nan 0.000 0.445 190 D N 0.999 121.323 120.400 -0.127 0.000 2.655 190 D HA 0.465 5.106 4.640 0.001 0.000 0.229 190 D C -1.566 174.718 176.300 -0.027 0.000 1.229 190 D CA -0.503 53.478 54.000 -0.031 0.000 0.807 190 D CB 2.851 43.679 40.800 0.048 0.000 1.514 190 D HN 0.121 nan 8.370 nan 0.000 0.444 191 K N 0.817 121.194 120.400 -0.039 0.000 2.542 191 K HA 0.785 5.105 4.320 0.001 0.000 0.259 191 K C -2.018 174.504 176.600 -0.130 0.000 0.932 191 K CA -0.594 55.632 56.287 -0.102 0.000 0.820 191 K CB 1.893 34.328 32.500 -0.108 0.000 1.345 191 K HN 0.419 nan 8.250 nan 0.000 0.432 192 A N 2.092 124.798 122.820 -0.190 0.000 2.606 192 A HA 0.361 4.681 4.320 0.001 0.000 0.293 192 A C -1.883 175.539 177.584 -0.271 0.000 1.082 192 A CA -0.706 51.217 52.037 -0.189 0.000 0.685 192 A CB 1.672 20.594 19.000 -0.129 0.000 1.284 192 A HN 0.698 nan 8.150 nan 0.000 0.408 193 D N 1.678 121.929 120.400 -0.249 0.000 2.411 193 D HA 0.490 5.130 4.640 0.001 0.000 0.225 193 D C 0.894 177.034 176.300 -0.266 0.000 1.156 193 D CA 0.476 54.293 54.000 -0.305 0.000 0.874 193 D CB 1.298 41.944 40.800 -0.256 0.000 1.034 193 D HN 0.577 nan 8.370 nan 0.000 0.502 194 A N 3.447 126.075 122.820 -0.319 0.000 2.251 194 A HA 0.407 4.728 4.320 0.001 0.000 0.209 194 A C 1.441 178.900 177.584 -0.208 0.000 1.187 194 A CA 0.655 52.557 52.037 -0.226 0.000 0.823 194 A CB -0.262 18.614 19.000 -0.206 0.000 0.846 194 A HN 1.133 nan 8.150 nan 0.000 0.486 195 A N -3.109 119.520 122.820 -0.320 0.000 2.832 195 A HA -0.230 4.091 4.320 0.001 0.000 0.280 195 A C 0.691 178.215 177.584 -0.100 0.000 1.464 195 A CA 1.297 53.174 52.037 -0.266 0.000 0.804 195 A CB -2.791 16.143 19.000 -0.109 0.000 1.020 195 A HN 1.572 nan 8.150 nan 0.000 0.563 196 W N -3.346 117.908 121.300 -0.077 0.000 2.062 196 W HA -0.190 4.471 4.660 0.001 0.000 0.257 196 W C 0.454 176.946 176.519 -0.046 0.000 1.024 196 W CA 0.744 58.050 57.345 -0.065 0.000 0.471 196 W CB -1.152 28.271 29.460 -0.062 0.000 2.039 196 W HN 0.674 nan 8.180 nan 0.000 1.321 197 E N -0.388 119.891 120.200 0.132 0.000 2.343 197 E HA 0.331 4.681 4.350 0.001 0.000 0.270 197 E C 0.796 177.426 176.600 0.049 0.000 0.895 197 E CA -0.900 55.557 56.400 0.095 0.000 0.767 197 E CB 1.252 31.000 29.700 0.079 0.000 1.248 197 E HN 0.004 nan 8.360 nan 0.000 0.440 198 R N 1.327 121.856 120.500 0.049 0.000 2.091 198 R HA -0.141 4.200 4.340 0.001 0.000 0.238 198 R C 1.763 178.077 176.300 0.022 0.000 1.136 198 R CA 2.058 58.179 56.100 0.036 0.000 0.959 198 R CB -0.601 29.720 30.300 0.034 0.000 0.856 198 R HN 0.677 nan 8.270 nan 0.000 0.437 199 G N 1.231 110.042 108.800 0.018 0.000 2.587 199 G HA2 -0.239 3.721 3.960 0.001 0.000 0.217 199 G HA3 -0.239 3.721 3.960 0.001 0.000 0.217 199 G C -0.980 173.919 174.900 -0.002 0.000 1.240 199 G CA 0.862 45.968 45.100 0.009 0.000 0.794 199 G HN 0.358 nan 8.290 nan 0.000 0.580 200 P HA -0.038 nan 4.420 nan 0.000 0.216 200 P C 2.131 179.410 177.300 -0.034 0.000 1.150 200 P CA 1.926 65.008 63.100 -0.030 0.000 0.837 200 P CB -0.201 31.469 31.700 -0.049 0.000 0.786 201 A N -0.103 122.701 122.820 -0.026 0.000 1.908 201 A HA -0.260 4.060 4.320 0.001 0.000 0.218 201 A C 2.321 179.906 177.584 0.002 0.000 1.181 201 A CA 1.935 53.960 52.037 -0.021 0.000 0.627 201 A CB -1.309 17.690 19.000 -0.000 0.000 0.818 201 A HN 0.209 nan 8.150 nan 0.000 0.445 202 E N -0.666 119.540 120.200 0.009 0.000 2.152 202 E HA -0.095 4.255 4.350 0.001 0.000 0.192 202 E C 1.758 178.362 176.600 0.007 0.000 0.983 202 E CA 0.901 57.311 56.400 0.017 0.000 0.818 202 E CB -0.149 29.560 29.700 0.016 0.000 0.758 202 E HN 0.667 nan 8.360 nan 0.000 0.467 203 I N 0.796 121.364 120.570 -0.004 0.000 2.286 203 I HA -0.199 3.972 4.170 0.001 0.000 0.245 203 I C 2.102 178.211 176.117 -0.013 0.000 1.104 203 I CA 1.060 62.355 61.300 -0.010 0.000 1.397 203 I CB -0.048 37.943 38.000 -0.015 0.000 1.072 203 I HN 0.080 nan 8.210 nan 0.000 0.417 204 E N 0.068 120.255 120.200 -0.021 0.000 2.051 204 E HA -0.288 4.063 4.350 0.001 0.000 0.192 204 E C 2.072 178.668 176.600 -0.006 0.000 0.991 204 E CA 1.474 57.859 56.400 -0.026 0.000 0.799 204 E CB -0.195 29.474 29.700 -0.051 0.000 0.748 204 E HN 0.276 nan 8.360 nan 0.000 0.449 205 M N 1.364 120.970 119.600 0.009 0.000 2.080 205 M HA -0.194 4.286 4.480 0.001 0.000 0.260 205 M C 1.532 177.849 176.300 0.029 0.000 1.068 205 M CA 1.745 57.066 55.300 0.035 0.000 1.109 205 M CB -0.285 32.356 32.600 0.068 0.000 1.342 205 M HN -0.078 nan 8.290 nan 0.000 0.405 206 D N -0.963 119.448 120.400 0.017 0.000 2.133 206 D HA -0.206 4.434 4.640 0.001 0.000 0.192 206 D C 2.070 178.368 176.300 -0.002 0.000 1.001 206 D CA 1.922 55.926 54.000 0.007 0.000 0.844 206 D CB -0.331 40.469 40.800 -0.001 0.000 0.944 206 D HN 0.474 nan 8.370 nan 0.000 0.447 207 S N -1.232 114.463 115.700 -0.008 0.000 2.356 207 S HA -0.167 4.303 4.470 0.001 0.000 0.223 207 S C 2.115 176.701 174.600 -0.022 0.000 1.032 207 S CA 1.357 59.544 58.200 -0.022 0.000 1.005 207 S CB -0.282 62.903 63.200 -0.025 0.000 0.867 207 S HN 0.253 nan 8.310 nan 0.000 0.449 208 M N 0.559 120.169 119.600 0.018 0.000 2.108 208 M HA -0.079 4.401 4.480 0.001 0.000 0.261 208 M C 2.112 178.456 176.300 0.072 0.000 1.066 208 M CA 1.443 56.796 55.300 0.087 0.000 1.107 208 M CB -0.500 32.174 32.600 0.122 0.000 1.356 208 M HN 0.333 nan 8.290 nan 0.000 0.406 209 L N -0.872 120.376 121.223 0.042 0.000 2.131 209 L HA -0.206 4.134 4.340 0.001 0.000 0.210 209 L C 2.708 179.577 176.870 -0.001 0.000 1.092 209 L CA 1.138 55.997 54.840 0.033 0.000 0.759 209 L CB -0.500 41.573 42.059 0.024 0.000 0.903 209 L HN 0.276 nan 8.230 nan 0.000 0.435 210 R N -0.113 120.368 120.500 -0.031 0.000 2.093 210 R HA -0.033 4.308 4.340 0.001 0.000 0.224 210 R C 2.223 178.466 176.300 -0.096 0.000 1.101 210 R CA 0.906 56.976 56.100 -0.051 0.000 0.979 210 R CB 0.114 30.385 30.300 -0.048 0.000 0.877 210 R HN 0.315 nan 8.270 nan 0.000 0.441 211 R N -1.033 119.355 120.500 -0.186 0.000 2.246 211 R HA 0.063 4.404 4.340 0.001 0.000 0.199 211 R C -0.102 175.911 176.300 -0.478 0.000 0.984 211 R CA 0.419 56.304 56.100 -0.359 0.000 1.015 211 R CB 0.336 30.330 30.300 -0.510 0.000 0.930 211 R HN 0.174 nan 8.270 nan 0.000 0.475 212 H N -0.107 118.959 119.070 -0.007 0.000 2.887 212 H HA 0.190 4.747 4.556 0.001 0.000 0.300 212 H C -2.015 173.309 175.328 -0.007 0.000 1.038 212 H CA -2.458 53.586 56.048 -0.007 0.000 1.352 212 H CB 1.748 31.506 29.762 -0.007 0.000 1.473 212 H HN -0.096 nan 8.280 nan 0.000 0.503 213 P HA -0.071 nan 4.420 nan 0.000 0.219 213 P C 0.415 177.742 177.300 0.045 0.000 1.150 213 P CA 1.030 64.160 63.100 0.049 0.000 0.814 213 P CB 0.807 32.528 31.700 0.033 0.000 0.787 214 K N 0.617 121.048 120.400 0.053 0.000 2.464 214 K HA 0.409 4.730 4.320 0.001 0.000 0.252 214 K C -1.127 175.479 176.600 0.010 0.000 1.000 214 K CA -0.422 55.880 56.287 0.024 0.000 0.951 214 K CB 0.181 32.690 32.500 0.015 0.000 1.183 214 K HN -0.070 nan 8.250 nan 0.000 0.445 215 I N 3.664 124.232 120.570 -0.004 0.000 2.436 215 I HA 0.194 4.364 4.170 0.001 0.000 0.289 215 I C 0.117 176.201 176.117 -0.056 0.000 1.010 215 I CA -0.580 60.699 61.300 -0.034 0.000 1.098 215 I CB 1.930 39.912 38.000 -0.030 0.000 1.266 215 I HN 0.635 nan 8.210 nan 0.000 0.434 216 D N 4.683 125.046 120.400 -0.062 0.000 2.423 216 D HA 0.288 4.929 4.640 0.001 0.000 0.212 216 D C 0.364 176.610 176.300 -0.090 0.000 1.060 216 D CA 0.478 54.441 54.000 -0.061 0.000 0.872 216 D CB 1.392 42.167 40.800 -0.041 0.000 1.012 216 D HN 0.554 nan 8.370 nan 0.000 0.503 217 A N 0.433 123.191 122.820 -0.103 0.000 2.574 217 A HA 0.545 4.866 4.320 0.001 0.000 0.297 217 A C -1.366 176.133 177.584 -0.142 0.000 1.062 217 A CA -0.520 51.441 52.037 -0.126 0.000 0.686 217 A CB 1.868 20.850 19.000 -0.029 0.000 1.285 217 A HN -0.107 nan 8.150 nan 0.000 0.403 218 V N 2.454 122.240 119.914 -0.213 0.000 2.409 218 V HA 0.362 4.483 4.120 0.001 0.000 0.291 218 V C -1.229 174.905 176.094 0.066 0.000 1.020 218 V CA -0.502 61.730 62.300 -0.114 0.000 0.848 218 V CB 1.398 33.099 31.823 -0.203 0.000 0.990 218 V HN 0.796 nan 8.190 nan 0.000 0.430 219 Y N 5.222 125.463 120.300 -0.097 0.000 2.454 219 Y HA 0.726 5.276 4.550 0.001 0.000 0.345 219 Y C 0.186 176.060 175.900 -0.045 0.000 0.970 219 Y CA -1.721 56.310 58.100 -0.114 0.000 1.204 219 Y CB 0.861 39.092 38.460 -0.382 0.000 1.122 219 Y HN 0.690 nan 8.280 nan 0.000 0.514 220 A N 5.959 128.910 122.820 0.218 0.000 2.292 220 A HA 0.314 4.634 4.320 0.001 0.000 0.319 220 A C 0.443 178.061 177.584 0.056 0.000 1.206 220 A CA -0.512 51.559 52.037 0.056 0.000 0.835 220 A CB 0.148 19.237 19.000 0.148 0.000 1.164 220 A HN 1.024 nan 8.150 nan 0.000 0.505 221 H N 1.265 120.175 119.070 -0.266 0.000 2.524 221 H HA -0.079 4.478 4.556 0.001 0.000 0.282 221 H C 0.369 175.772 175.328 0.125 0.000 1.016 221 H CA 1.104 57.053 56.048 -0.165 0.000 1.270 221 H CB 0.351 29.918 29.762 -0.325 0.000 1.394 221 H HN 0.847 nan 8.280 nan 0.000 0.568 222 N N -0.826 118.016 118.700 0.235 0.000 3.039 222 N HA -0.036 4.704 4.740 0.001 0.000 0.257 222 N C -0.632 174.960 175.510 0.136 0.000 1.497 222 N CA -0.697 52.458 53.050 0.175 0.000 0.861 222 N CB 0.523 39.113 38.487 0.171 0.000 1.479 222 N HN -0.285 nan 8.380 nan 0.000 0.547 223 D N -0.504 119.961 120.400 0.108 0.000 2.352 223 D HA 0.127 4.767 4.640 0.001 0.000 0.232 223 D C 0.799 177.146 176.300 0.078 0.000 1.055 223 D CA 0.429 54.485 54.000 0.093 0.000 0.891 223 D CB 0.289 41.145 40.800 0.092 0.000 0.897 223 D HN 0.421 nan 8.370 nan 0.000 0.529 224 R N -0.540 120.013 120.500 0.090 0.000 2.191 224 R HA 0.261 4.601 4.340 0.001 0.000 0.196 224 R C 2.177 178.522 176.300 0.076 0.000 0.991 224 R CA -0.046 56.101 56.100 0.078 0.000 1.075 224 R CB 0.319 30.670 30.300 0.085 0.000 1.040 224 R HN 0.115 nan 8.270 nan 0.000 0.526 225 I N 1.313 121.939 120.570 0.092 0.000 2.226 225 I HA -0.254 3.917 4.170 0.001 0.000 0.245 225 I C 2.589 178.755 176.117 0.082 0.000 1.100 225 I CA 1.360 62.701 61.300 0.067 0.000 1.374 225 I CB -0.308 37.717 38.000 0.041 0.000 1.057 225 I HN 0.158 nan 8.210 nan 0.000 0.413 226 A N 1.610 124.492 122.820 0.104 0.000 1.877 226 A HA -0.119 4.202 4.320 0.001 0.000 0.216 226 A C 0.084 177.713 177.584 0.076 0.000 1.186 226 A CA 1.794 53.913 52.037 0.137 0.000 0.620 226 A CB -2.021 17.068 19.000 0.149 0.000 0.822 226 A HN 0.294 nan 8.150 nan 0.000 0.443 227 P HA -0.081 nan 4.420 nan 0.000 0.221 227 P C 1.718 179.043 177.300 0.041 0.000 1.150 227 P CA 1.668 64.760 63.100 -0.013 0.000 0.800 227 P CB -0.489 31.194 31.700 -0.027 0.000 0.787 228 G N 0.948 109.777 108.800 0.049 0.000 2.446 228 G HA2 -0.265 3.695 3.960 0.001 0.000 0.217 228 G HA3 -0.265 3.695 3.960 0.001 0.000 0.217 228 G C 1.818 176.760 174.900 0.070 0.000 1.168 228 G CA 1.239 46.369 45.100 0.051 0.000 0.771 228 G HN 0.358 nan 8.290 nan 0.000 0.551 229 A N -0.208 122.680 122.820 0.114 0.000 1.898 229 A HA -0.006 4.314 4.320 0.001 0.000 0.216 229 A C 2.213 179.908 177.584 0.185 0.000 1.181 229 A CA 1.675 53.830 52.037 0.195 0.000 0.620 229 A CB -0.750 18.445 19.000 0.327 0.000 0.819 229 A HN 0.458 nan 8.150 nan 0.000 0.442 230 Y N 0.280 120.466 120.300 -0.189 0.000 2.114 230 Y HA -0.320 4.231 4.550 0.001 0.000 0.282 230 Y C 2.640 178.417 175.900 -0.204 0.000 1.165 230 Y CA 2.584 60.344 58.100 -0.566 0.000 1.148 230 Y CB -0.293 37.701 38.460 -0.776 0.000 0.972 230 Y HN 0.483 nan 8.280 nan 0.000 0.504 231 Q N -0.367 119.447 119.800 0.023 0.000 2.119 231 Q HA -0.166 4.174 4.340 0.001 0.000 0.201 231 Q C 2.357 178.328 176.000 -0.048 0.000 0.972 231 Q CA 1.289 57.091 55.803 -0.002 0.000 0.847 231 Q CB -0.328 28.438 28.738 0.046 0.000 0.903 231 Q HN 0.589 nan 8.270 nan 0.000 0.433 232 A N 0.778 123.589 122.820 -0.014 0.000 1.908 232 A HA -0.192 4.128 4.320 0.001 0.000 0.218 232 A C 2.258 179.828 177.584 -0.024 0.000 1.181 232 A CA 1.849 53.883 52.037 -0.004 0.000 0.627 232 A CB -1.032 17.984 19.000 0.026 0.000 0.818 232 A HN 0.555 nan 8.150 nan 0.000 0.445 233 A N -0.470 122.331 122.820 -0.032 0.000 1.873 233 A HA -0.148 4.173 4.320 0.001 0.000 0.215 233 A C 2.142 179.643 177.584 -0.137 0.000 1.186 233 A CA 1.970 53.985 52.037 -0.037 0.000 0.616 233 A CB -0.494 18.567 19.000 0.103 0.000 0.823 233 A HN 0.545 nan 8.150 nan 0.000 0.442 234 K N -0.825 119.399 120.400 -0.292 0.000 2.063 234 K HA -0.119 4.201 4.320 0.001 0.000 0.208 234 K C 1.973 178.510 176.600 -0.105 0.000 1.048 234 K CA 1.884 58.023 56.287 -0.247 0.000 0.928 234 K CB -0.248 32.088 32.500 -0.273 0.000 0.713 234 K HN 0.501 nan 8.250 nan 0.000 0.442 235 M N -0.432 119.123 119.600 -0.075 0.000 2.476 235 M HA -0.051 4.429 4.480 0.001 0.000 0.262 235 M C 1.574 177.856 176.300 -0.029 0.000 1.079 235 M CA 0.909 56.187 55.300 -0.038 0.000 1.104 235 M CB 0.273 32.858 32.600 -0.024 0.000 1.409 235 M HN 0.204 nan 8.290 nan 0.000 0.467 236 A N -0.263 122.537 122.820 -0.032 0.000 2.387 236 A HA 0.464 4.784 4.320 0.001 0.000 0.234 236 A C 1.391 178.963 177.584 -0.019 0.000 1.253 236 A CA 0.443 52.468 52.037 -0.019 0.000 0.894 236 A CB -0.466 18.528 19.000 -0.011 0.000 0.963 236 A HN 0.560 nan 8.150 nan 0.000 0.508 237 G N -0.059 108.724 108.800 -0.028 0.000 2.272 237 G HA2 -0.262 3.699 3.960 0.001 0.000 0.280 237 G HA3 -0.262 3.699 3.960 0.001 0.000 0.280 237 G C 0.479 175.369 174.900 -0.016 0.000 1.067 237 G CA 0.552 45.639 45.100 -0.022 0.000 0.902 237 G HN 0.554 nan 8.290 nan 0.000 0.500 238 R N -0.611 119.875 120.500 -0.024 0.000 2.549 238 R HA 0.096 4.436 4.340 0.001 0.000 0.399 238 R C 1.908 178.218 176.300 0.017 0.000 0.964 238 R CA 0.285 56.384 56.100 -0.001 0.000 1.173 238 R CB 0.164 30.468 30.300 0.007 0.000 1.535 238 R HN 0.466 nan 8.270 nan 0.000 0.551 239 E N 1.609 121.792 120.200 -0.028 0.000 2.268 239 E HA -0.175 4.175 4.350 0.001 0.000 0.195 239 E C 0.688 177.377 176.600 0.149 0.000 0.995 239 E CA 1.235 57.635 56.400 -0.000 0.000 0.836 239 E CB 0.161 29.613 29.700 -0.414 0.000 0.763 239 E HN 0.154 nan 8.360 nan 0.000 0.491 240 K N 0.555 121.007 120.400 0.087 0.000 2.418 240 K HA 0.061 4.381 4.320 0.001 0.000 0.195 240 K C 1.799 178.444 176.600 0.075 0.000 1.035 240 K CA 0.588 56.934 56.287 0.098 0.000 1.003 240 K CB 0.234 32.774 32.500 0.067 0.000 0.793 240 K HN 0.182 nan 8.250 nan 0.000 0.494 241 E N 0.744 120.975 120.200 0.053 0.000 2.347 241 E HA -0.029 4.322 4.350 0.001 0.000 0.196 241 E C 0.766 177.366 176.600 -0.001 0.000 1.008 241 E CA 0.582 56.996 56.400 0.023 0.000 0.852 241 E CB 0.071 29.777 29.700 0.011 0.000 0.783 241 E HN 0.339 nan 8.360 nan 0.000 0.505 242 M N -0.341 119.256 119.600 -0.005 0.000 2.664 242 M HA 0.472 4.953 4.480 0.001 0.000 0.279 242 M C -1.077 175.164 176.300 -0.098 0.000 1.275 242 M CA -1.136 54.096 55.300 -0.113 0.000 0.829 242 M CB 1.894 34.329 32.600 -0.274 0.000 1.727 242 M HN -0.143 nan 8.290 nan 0.000 0.459 243 I N -1.116 119.364 120.570 -0.149 0.000 2.607 243 I HA 0.730 4.900 4.170 0.001 0.000 0.305 243 I C -1.822 174.175 176.117 -0.200 0.000 0.995 243 I CA -0.637 60.656 61.300 -0.011 0.000 1.148 243 I CB 1.604 39.653 38.000 0.082 0.000 1.323 243 I HN 0.642 nan 8.210 nan 0.000 0.461 244 F N 3.933 123.972 119.950 0.149 0.000 2.493 244 F HA 0.634 5.162 4.527 0.001 0.000 0.329 244 F C -0.362 175.511 175.800 0.122 0.000 1.126 244 F CA -0.830 57.258 58.000 0.147 0.000 0.937 244 F CB 2.154 41.261 39.000 0.177 0.000 1.146 244 F HN 0.153 nan 8.300 nan 0.000 0.442 245 V N 2.673 122.746 119.914 0.266 0.000 2.540 245 V HA 0.869 4.990 4.120 0.001 0.000 0.302 245 V C 0.130 176.380 176.094 0.260 0.000 1.035 245 V CA -0.588 61.833 62.300 0.203 0.000 0.873 245 V CB 1.393 33.309 31.823 0.155 0.000 0.992 245 V HN 0.917 nan 8.190 nan 0.000 0.428 246 G N 3.531 112.459 108.800 0.214 0.000 3.140 246 G HA2 0.883 4.843 3.960 0.001 0.000 0.271 246 G HA3 0.883 4.843 3.960 0.001 0.000 0.271 246 G C -1.345 173.697 174.900 0.237 0.000 1.370 246 G CA -0.702 44.529 45.100 0.219 0.000 1.014 246 G HN 0.557 nan 8.290 nan 0.000 0.541 247 I N -0.803 119.880 120.570 0.189 0.000 2.769 247 I HA 0.504 4.674 4.170 0.001 0.000 0.298 247 I C -0.398 175.801 176.117 0.137 0.000 1.128 247 I CA -0.449 60.956 61.300 0.175 0.000 1.031 247 I CB 2.681 40.732 38.000 0.085 0.000 1.235 247 I HN 0.615 nan 8.210 nan 0.000 0.423 248 D N 3.111 123.633 120.400 0.204 0.000 1.780 248 D HA -0.130 4.511 4.640 0.001 0.000 0.260 248 D C 0.671 177.139 176.300 0.278 0.000 0.592 248 D CA 1.230 55.404 54.000 0.289 0.000 1.278 248 D CB -0.720 40.219 40.800 0.232 0.000 1.429 248 D HN 0.922 nan 8.370 nan 0.000 0.784 249 A N 0.743 123.671 122.820 0.179 0.000 2.791 249 A HA -0.198 4.122 4.320 0.001 0.000 0.292 249 A C 0.305 177.956 177.584 0.110 0.000 1.487 249 A CA 1.262 53.367 52.037 0.114 0.000 0.760 249 A CB -2.294 16.753 19.000 0.078 0.000 1.031 249 A HN 0.396 nan 8.150 nan 0.000 0.503 250 L N 0.555 121.857 121.223 0.133 0.000 2.452 250 L HA 0.407 4.747 4.340 0.001 0.000 0.267 250 L C -1.082 175.820 176.870 0.054 0.000 1.188 250 L CA -1.803 53.094 54.840 0.095 0.000 0.821 250 L CB 0.290 42.420 42.059 0.120 0.000 1.102 250 L HN 0.331 nan 8.230 nan 0.000 0.470 251 P HA 0.355 nan 4.420 nan 0.000 0.277 251 P C -0.184 177.130 177.300 0.022 0.000 1.271 251 P CA 0.023 63.136 63.100 0.020 0.000 0.795 251 P CB 1.054 32.759 31.700 0.008 0.000 1.101 252 G N -1.311 107.500 108.800 0.018 0.000 2.619 252 G HA2 -0.086 3.875 3.960 0.001 0.000 0.686 252 G HA3 -0.086 3.875 3.960 0.001 0.000 0.686 252 G C -0.870 174.039 174.900 0.015 0.000 1.256 252 G CA -0.840 44.270 45.100 0.017 0.000 0.826 252 G HN 0.501 nan 8.290 nan 0.000 0.619 253 K N 0.016 120.423 120.400 0.010 0.000 2.489 253 K HA 0.484 4.805 4.320 0.001 0.000 0.278 253 K C 1.743 178.347 176.600 0.007 0.000 1.000 253 K CA 1.319 57.609 56.287 0.005 0.000 1.012 253 K CB 0.612 33.113 32.500 0.001 0.000 0.903 253 K HN 2.638 nan 8.250 nan 0.000 0.485 254 G N 1.747 110.548 108.800 0.001 0.000 2.148 254 G HA2 -0.243 3.717 3.960 0.001 0.000 0.254 254 G HA3 -0.243 3.717 3.960 0.001 0.000 0.254 254 G C 0.071 174.979 174.900 0.013 0.000 0.981 254 G CA 0.315 45.416 45.100 0.002 0.000 0.670 254 G HN 0.607 nan 8.290 nan 0.000 0.528 255 N N -0.802 117.910 118.700 0.020 0.000 2.906 255 N HA 0.565 5.305 4.740 0.001 0.000 0.327 255 N C 1.641 177.167 175.510 0.027 0.000 1.344 255 N CA 0.033 53.106 53.050 0.039 0.000 0.823 255 N CB 0.086 38.609 38.487 0.061 0.000 1.351 255 N HN 0.202 nan 8.380 nan 0.000 0.604 256 G N 0.453 109.281 108.800 0.047 0.000 2.476 256 G HA2 -0.231 3.729 3.960 0.001 0.000 0.218 256 G HA3 -0.231 3.729 3.960 0.001 0.000 0.218 256 G C 1.388 176.295 174.900 0.013 0.000 1.164 256 G CA 0.853 45.974 45.100 0.035 0.000 0.768 256 G HN 0.379 nan 8.290 nan 0.000 0.560 257 L N 0.728 121.963 121.223 0.019 0.000 2.012 257 L HA -0.051 4.290 4.340 0.001 0.000 0.210 257 L C 2.611 179.480 176.870 -0.002 0.000 1.073 257 L CA 2.742 57.587 54.840 0.008 0.000 0.748 257 L CB -0.765 41.303 42.059 0.016 0.000 0.891 257 L HN 0.455 nan 8.230 nan 0.000 0.431 258 E N -0.643 119.556 120.200 -0.002 0.000 2.085 258 E HA -0.244 4.106 4.350 0.001 0.000 0.194 258 E C 2.258 178.835 176.600 -0.037 0.000 0.994 258 E CA 1.619 58.011 56.400 -0.014 0.000 0.801 258 E CB -0.240 29.453 29.700 -0.012 0.000 0.743 258 E HN 0.604 nan 8.360 nan 0.000 0.453 259 L N 0.206 121.400 121.223 -0.048 0.000 2.127 259 L HA -0.193 4.147 4.340 0.001 0.000 0.211 259 L C 2.455 179.272 176.870 -0.088 0.000 1.089 259 L CA 0.649 55.434 54.840 -0.091 0.000 0.757 259 L CB -0.294 41.710 42.059 -0.092 0.000 0.899 259 L HN 0.117 nan 8.230 nan 0.000 0.434 260 V N -0.142 119.743 119.914 -0.049 0.000 2.323 260 V HA -0.244 3.876 4.120 0.001 0.000 0.244 260 V C 2.370 178.447 176.094 -0.028 0.000 1.041 260 V CA 1.408 63.687 62.300 -0.034 0.000 1.025 260 V CB -0.304 31.503 31.823 -0.026 0.000 0.656 260 V HN 0.316 nan 8.190 nan 0.000 0.451 261 L N 0.105 121.315 121.223 -0.022 0.000 2.081 261 L HA -0.214 4.126 4.340 0.001 0.000 0.212 261 L C 1.757 178.609 176.870 -0.030 0.000 1.080 261 L CA 1.497 56.327 54.840 -0.017 0.000 0.754 261 L CB -0.556 41.498 42.059 -0.008 0.000 0.893 261 L HN 0.382 nan 8.230 nan 0.000 0.433 262 D N -1.068 119.303 120.400 -0.049 0.000 2.325 262 D HA 0.030 4.671 4.640 0.001 0.000 0.225 262 D C 1.004 177.259 176.300 -0.075 0.000 1.096 262 D CA 0.188 54.152 54.000 -0.061 0.000 0.844 262 D CB 0.567 41.320 40.800 -0.079 0.000 0.925 262 D HN 0.050 nan 8.370 nan 0.000 0.513 263 S N -1.014 114.650 115.700 -0.061 0.000 3.382 263 S HA -0.170 4.300 4.470 0.001 0.000 0.293 263 S C 1.454 175.994 174.600 -0.100 0.000 1.262 263 S CA 0.425 58.602 58.200 -0.039 0.000 0.969 263 S CB -1.247 61.952 63.200 -0.000 0.000 1.136 263 S HN 0.224 nan 8.310 nan 0.000 0.635 264 V N -0.697 119.067 119.914 -0.251 0.000 2.446 264 V HA 0.156 4.277 4.120 0.001 0.000 0.244 264 V C 0.867 176.748 176.094 -0.356 0.000 1.039 264 V CA 1.175 63.106 62.300 -0.615 0.000 1.045 264 V CB -0.051 31.298 31.823 -0.789 0.000 0.681 264 V HN 0.451 nan 8.190 nan 0.000 0.459 265 L N 0.574 121.707 121.223 -0.149 0.000 2.296 265 L HA 0.404 4.744 4.340 0.001 0.000 0.286 265 L C 0.545 177.453 176.870 0.062 0.000 1.023 265 L CA 0.132 54.977 54.840 0.008 0.000 0.812 265 L CB 1.020 43.071 42.059 -0.014 0.000 1.223 265 L HN 0.126 nan 8.230 nan 0.000 0.421 266 D N 2.504 122.996 120.400 0.152 0.000 2.149 266 D HA 0.218 4.859 4.640 0.001 0.000 0.201 266 D C 0.086 176.419 176.300 0.056 0.000 0.972 266 D CA 1.318 55.403 54.000 0.142 0.000 0.835 266 D CB 0.275 41.208 40.800 0.221 0.000 0.966 266 D HN 0.578 nan 8.370 nan 0.000 0.476 267 A N -0.920 121.879 122.820 -0.036 0.000 2.604 267 A HA 0.649 4.969 4.320 0.001 0.000 0.295 267 A C -0.904 176.565 177.584 -0.192 0.000 1.067 267 A CA -0.625 51.253 52.037 -0.266 0.000 0.683 267 A CB 1.926 20.458 19.000 -0.780 0.000 1.281 267 A HN -0.087 nan 8.150 nan 0.000 0.407 268 T N 0.243 114.640 114.554 -0.261 0.000 2.894 268 T HA 0.707 5.057 4.350 0.001 0.000 0.309 268 T C -1.739 172.823 174.700 -0.230 0.000 1.208 268 T CA -0.274 61.767 62.100 -0.098 0.000 1.016 268 T CB 0.584 69.461 68.868 0.015 0.000 1.192 268 T HN 0.509 nan 8.240 nan 0.000 0.491 269 F N 2.309 122.257 119.950 -0.005 0.000 2.450 269 F HA 0.618 5.146 4.527 0.001 0.000 0.332 269 F C 0.583 176.439 175.800 0.093 0.000 1.093 269 F CA -1.023 56.991 58.000 0.023 0.000 1.003 269 F CB 1.275 40.286 39.000 0.018 0.000 1.151 269 F HN 0.431 nan 8.300 nan 0.000 0.474 270 I N 3.292 124.014 120.570 0.253 0.000 2.517 270 I HA -0.042 4.128 4.170 0.001 0.000 0.285 270 I C -0.860 175.469 176.117 0.354 0.000 1.106 270 I CA 0.189 61.633 61.300 0.240 0.000 1.402 270 I CB 0.247 38.337 38.000 0.151 0.000 1.399 270 I HN 0.542 nan 8.210 nan 0.000 0.535 271 Y N 9.655 130.094 120.300 0.231 0.000 2.575 271 Y HA 0.387 4.937 4.550 0.001 0.000 0.326 271 Y C -2.163 173.962 175.900 0.375 0.000 0.979 271 Y CA -2.543 55.718 58.100 0.269 0.000 1.286 271 Y CB 0.962 39.547 38.460 0.208 0.000 1.093 271 Y HN 0.392 nan 8.280 nan 0.000 0.501 272 P HA 0.053 nan 4.420 nan 0.000 0.275 272 P C 0.362 177.538 177.300 -0.208 0.000 1.228 272 P CA 0.016 63.080 63.100 -0.060 0.000 0.786 272 P CB 1.845 33.504 31.700 -0.069 0.000 0.927 273 T N -1.396 112.934 114.554 -0.372 0.000 2.866 273 T HA -0.047 4.304 4.350 0.001 0.000 0.250 273 T C 0.734 175.205 174.700 -0.381 0.000 1.033 273 T CA 0.197 61.922 62.100 -0.625 0.000 1.145 273 T CB -1.100 67.250 68.868 -0.862 0.000 0.866 273 T HN 0.356 nan 8.240 nan 0.000 0.434 274 N N 1.939 120.471 118.700 -0.280 0.000 2.707 274 N HA -0.133 4.607 4.740 0.001 0.000 0.253 274 N C 0.942 176.331 175.510 -0.201 0.000 0.998 274 N CA 0.723 53.650 53.050 -0.205 0.000 0.751 274 N CB -1.538 36.852 38.487 -0.162 0.000 0.920 274 N HN 0.729 nan 8.380 nan 0.000 0.539 275 G N 0.852 109.519 108.800 -0.222 0.000 2.475 275 G HA2 -0.332 3.628 3.960 0.001 0.000 0.220 275 G HA3 -0.332 3.628 3.960 0.001 0.000 0.220 275 G C 1.274 176.086 174.900 -0.147 0.000 1.125 275 G CA 1.271 46.256 45.100 -0.191 0.000 0.755 275 G HN 0.643 nan 8.290 nan 0.000 0.565 276 D N 0.982 121.300 120.400 -0.137 0.000 2.097 276 D HA -0.122 4.519 4.640 0.001 0.000 0.195 276 D C 1.998 178.235 176.300 -0.103 0.000 0.989 276 D CA 0.908 54.841 54.000 -0.112 0.000 0.827 276 D CB -0.399 40.325 40.800 -0.126 0.000 0.966 276 D HN 0.164 nan 8.370 nan 0.000 0.456 277 K N 0.616 120.948 120.400 -0.113 0.000 2.097 277 K HA -0.026 4.294 4.320 0.001 0.000 0.206 277 K C 2.505 179.036 176.600 -0.116 0.000 1.049 277 K CA 0.415 56.640 56.287 -0.103 0.000 0.933 277 K CB -0.451 31.988 32.500 -0.103 0.000 0.717 277 K HN 0.167 nan 8.250 nan 0.000 0.442 278 V N 1.687 121.518 119.914 -0.138 0.000 2.295 278 V HA -0.236 3.885 4.120 0.001 0.000 0.246 278 V C 2.394 178.395 176.094 -0.156 0.000 1.049 278 V CA 1.444 63.653 62.300 -0.151 0.000 1.024 278 V CB -0.438 31.288 31.823 -0.160 0.000 0.648 278 V HN 0.158 nan 8.190 nan 0.000 0.447 279 L N -0.408 120.726 121.223 -0.148 0.000 2.109 279 L HA -0.144 4.196 4.340 0.001 0.000 0.207 279 L C 2.516 179.256 176.870 -0.217 0.000 1.086 279 L CA 1.741 56.474 54.840 -0.178 0.000 0.760 279 L CB -0.508 41.468 42.059 -0.138 0.000 0.910 279 L HN 0.310 nan 8.230 nan 0.000 0.437 280 Q N -1.014 118.707 119.800 -0.131 0.000 2.181 280 Q HA -0.242 4.098 4.340 0.001 0.000 0.205 280 Q C 2.134 178.059 176.000 -0.126 0.000 0.980 280 Q CA 1.797 57.546 55.803 -0.090 0.000 0.862 280 Q CB -0.328 28.402 28.738 -0.014 0.000 0.905 280 Q HN 0.467 nan 8.270 nan 0.000 0.429 281 L N 0.292 121.435 121.223 -0.133 0.000 2.072 281 L HA -0.059 4.282 4.340 0.001 0.000 0.205 281 L C 2.121 178.857 176.870 -0.224 0.000 1.079 281 L CA 1.857 56.614 54.840 -0.138 0.000 0.752 281 L CB -0.717 41.272 42.059 -0.115 0.000 0.906 281 L HN 0.108 nan 8.230 nan 0.000 0.436 282 A N -0.604 122.066 122.820 -0.250 0.000 1.883 282 A HA -0.229 4.091 4.320 0.001 0.000 0.217 282 A C 2.197 179.556 177.584 -0.374 0.000 1.186 282 A CA 2.269 54.123 52.037 -0.306 0.000 0.624 282 A CB -0.575 18.250 19.000 -0.292 0.000 0.822 282 A HN 0.469 nan 8.150 nan 0.000 0.444 283 M N -0.152 119.204 119.600 -0.407 0.000 2.159 283 M HA -0.117 4.363 4.480 0.001 0.000 0.263 283 M C 1.437 177.571 176.300 -0.277 0.000 1.063 283 M CA 1.486 56.509 55.300 -0.462 0.000 1.110 283 M CB -1.707 30.459 32.600 -0.723 0.000 1.374 283 M HN 0.365 nan 8.290 nan 0.000 0.411 284 D N 0.353 120.640 120.400 -0.188 0.000 2.149 284 D HA -0.096 4.544 4.640 0.001 0.000 0.198 284 D C 2.074 178.293 176.300 -0.135 0.000 0.990 284 D CA 1.116 55.061 54.000 -0.091 0.000 0.839 284 D CB -0.160 40.630 40.800 -0.016 0.000 0.948 284 D HN 0.337 nan 8.370 nan 0.000 0.460 285 I N -0.080 120.304 120.570 -0.309 0.000 2.233 285 I HA -0.173 3.997 4.170 0.001 0.000 0.243 285 I C 2.180 178.151 176.117 -0.243 0.000 1.093 285 I CA 0.638 61.697 61.300 -0.401 0.000 1.380 285 I CB -0.054 37.591 38.000 -0.592 0.000 1.067 285 I HN -0.010 nan 8.210 nan 0.000 0.413 286 L N 0.113 121.140 121.223 -0.327 0.000 2.093 286 L HA -0.167 4.174 4.340 0.001 0.000 0.208 286 L C 1.991 178.747 176.870 -0.190 0.000 1.085 286 L CA 1.331 55.931 54.840 -0.400 0.000 0.755 286 L CB -0.437 41.063 42.059 -0.931 0.000 0.904 286 L HN 0.246 nan 8.230 nan 0.000 0.435 287 E N 0.106 120.228 120.200 -0.130 0.000 2.502 287 E HA -0.069 4.281 4.350 0.001 0.000 0.194 287 E C 0.092 176.725 176.600 0.054 0.000 1.062 287 E CA -0.104 56.312 56.400 0.026 0.000 0.867 287 E CB 0.209 29.933 29.700 0.040 0.000 0.888 287 E HN 0.245 nan 8.360 nan 0.000 0.510 288 K N 0.487 120.907 120.400 0.034 0.000 3.088 288 K HA -0.223 4.098 4.320 0.001 0.000 0.273 288 K C -0.418 176.236 176.600 0.090 0.000 1.111 288 K CA 0.679 57.010 56.287 0.072 0.000 0.803 288 K CB -1.213 31.333 32.500 0.077 0.000 1.226 288 K HN 0.093 nan 8.250 nan 0.000 0.485 289 K N 0.587 121.039 120.400 0.087 0.000 2.107 289 K HA 0.280 4.601 4.320 0.001 0.000 0.251 289 K C -2.349 174.343 176.600 0.154 0.000 1.012 289 K CA -1.883 54.461 56.287 0.096 0.000 0.920 289 K CB 0.464 33.009 32.500 0.075 0.000 1.033 289 K HN -0.181 nan 8.250 nan 0.000 0.478 290 P HA 0.036 nan 4.420 nan 0.000 0.271 290 P C -1.487 175.916 177.300 0.172 0.000 1.218 290 P CA 0.075 63.231 63.100 0.094 0.000 0.780 290 P CB 0.228 31.944 31.700 0.027 0.000 0.901 291 Y N 0.033 120.334 120.300 0.001 0.000 2.552 291 Y HA 0.719 5.269 4.550 0.000 0.000 0.337 291 Y C -2.964 172.941 175.900 0.008 0.000 1.094 291 Y CA -2.761 55.338 58.100 -0.001 0.000 1.028 291 Y CB -0.056 38.399 38.460 -0.008 0.000 1.321 291 Y HN 0.227 nan 8.280 nan 0.000 0.456 292 P HA 0.353 nan 4.420 nan 0.000 0.286 292 P C -0.258 177.108 177.300 0.111 0.000 1.261 292 P CA -0.702 62.393 63.100 -0.009 0.000 0.821 292 P CB 2.722 34.444 31.700 0.038 0.000 1.013 293 K N 0.770 121.199 120.400 0.048 0.000 2.103 293 K HA -0.034 4.287 4.320 0.001 0.000 0.204 293 K C 0.351 177.091 176.600 0.232 0.000 1.052 293 K CA 1.079 57.464 56.287 0.162 0.000 0.945 293 K CB 0.280 32.818 32.500 0.062 0.000 0.722 293 K HN 0.418 nan 8.250 nan 0.000 0.443 294 E N 1.057 121.363 120.200 0.177 0.000 2.165 294 E HA 0.183 4.533 4.350 0.001 0.000 0.266 294 E C -1.240 175.456 176.600 0.159 0.000 0.889 294 E CA -0.389 56.147 56.400 0.227 0.000 0.756 294 E CB 2.107 31.926 29.700 0.198 0.000 1.131 294 E HN 0.002 nan 8.360 nan 0.000 0.411 295 T N 1.751 116.389 114.554 0.140 0.000 2.833 295 T HA 0.306 4.657 4.350 0.001 0.000 0.297 295 T C -0.137 174.595 174.700 0.055 0.000 1.015 295 T CA -0.472 61.662 62.100 0.057 0.000 0.963 295 T CB 1.169 70.032 68.868 -0.008 0.000 0.955 295 T HN 0.074 nan 8.240 nan 0.000 0.449 296 V N 5.532 125.496 119.914 0.084 0.000 2.370 296 V HA 0.444 4.565 4.120 0.001 0.000 0.279 296 V C 0.150 176.276 176.094 0.054 0.000 1.029 296 V CA -0.544 61.818 62.300 0.103 0.000 0.870 296 V CB 1.163 33.061 31.823 0.125 0.000 0.984 296 V HN 0.851 nan 8.190 nan 0.000 0.451 297 M N 3.754 123.375 119.600 0.036 0.000 2.513 297 M HA 0.435 4.915 4.480 0.001 0.000 0.291 297 M C 0.039 176.369 176.300 0.050 0.000 1.190 297 M CA -0.425 54.883 55.300 0.014 0.000 0.960 297 M CB 1.031 33.607 32.600 -0.040 0.000 1.517 297 M HN 0.556 nan 8.290 nan 0.000 0.499 298 N N -0.190 118.536 118.700 0.043 0.000 2.499 298 N HA 0.294 5.034 4.740 0.001 0.000 0.281 298 N C -0.765 174.805 175.510 0.101 0.000 1.098 298 N CA -0.258 52.833 53.050 0.069 0.000 0.979 298 N CB 1.291 39.808 38.487 0.050 0.000 1.121 298 N HN 0.469 nan 8.380 nan 0.000 0.466 299 T N 0.356 114.994 114.554 0.139 0.000 2.949 299 T HA 0.845 5.196 4.350 0.001 0.000 0.287 299 T C -1.256 173.552 174.700 0.181 0.000 1.034 299 T CA -0.481 61.735 62.100 0.193 0.000 1.018 299 T CB 0.934 69.952 68.868 0.249 0.000 1.135 299 T HN 0.583 nan 8.240 nan 0.000 0.532 300 A N 1.302 124.246 122.820 0.207 0.000 2.599 300 A HA 0.611 4.931 4.320 0.001 0.000 0.294 300 A C -0.881 176.712 177.584 0.015 0.000 1.055 300 A CA -0.564 51.557 52.037 0.141 0.000 0.683 300 A CB 0.992 20.032 19.000 0.066 0.000 1.278 300 A HN 0.879 nan 8.150 nan 0.000 0.412 301 V N 1.384 121.180 119.914 -0.198 0.000 2.686 301 V HA 0.548 4.669 4.120 0.001 0.000 0.295 301 V C -0.409 175.451 176.094 -0.390 0.000 1.055 301 V CA 0.108 61.958 62.300 -0.749 0.000 1.050 301 V CB 1.281 32.582 31.823 -0.870 0.000 0.984 301 V HN 0.845 nan 8.190 nan 0.000 0.482 302 V N 6.980 126.643 119.914 -0.418 0.000 2.448 302 V HA 0.616 4.737 4.120 0.001 0.000 0.295 302 V C -0.534 175.433 176.094 -0.212 0.000 1.025 302 V CA -0.391 61.781 62.300 -0.213 0.000 0.859 302 V CB 1.610 33.359 31.823 -0.124 0.000 0.988 302 V HN 1.153 nan 8.190 nan 0.000 0.431 303 D N 2.925 123.260 120.400 -0.109 0.000 2.812 303 D HA 0.325 4.965 4.640 0.001 0.000 0.318 303 D C 0.887 177.190 176.300 0.005 0.000 1.234 303 D CA -0.742 53.230 54.000 -0.046 0.000 0.989 303 D CB 1.086 41.894 40.800 0.015 0.000 1.442 303 D HN -0.136 nan 8.370 nan 0.000 0.537 304 R N -1.123 119.396 120.500 0.033 0.000 2.117 304 R HA -0.079 4.261 4.340 0.001 0.000 0.243 304 R C 2.269 178.592 176.300 0.039 0.000 1.143 304 R CA 2.292 58.413 56.100 0.034 0.000 0.968 304 R CB -1.861 28.463 30.300 0.040 0.000 0.863 304 R HN 0.830 nan 8.270 nan 0.000 0.444 305 T N -0.198 114.382 114.554 0.042 0.000 2.962 305 T HA -0.139 4.212 4.350 0.001 0.000 0.270 305 T C 1.268 175.991 174.700 0.039 0.000 1.088 305 T CA 1.552 63.677 62.100 0.042 0.000 1.127 305 T CB -0.299 68.594 68.868 0.042 0.000 0.883 305 T HN 0.593 nan 8.240 nan 0.000 0.493 306 N N 0.194 118.912 118.700 0.030 0.000 2.145 306 N HA 0.412 5.152 4.740 0.001 0.000 0.219 306 N C 1.694 177.221 175.510 0.028 0.000 1.266 306 N CA 0.405 53.468 53.050 0.023 0.000 0.902 306 N CB -0.448 38.041 38.487 0.003 0.000 1.078 306 N HN 0.366 nan 8.380 nan 0.000 0.513 307 A N 0.720 123.562 122.820 0.036 0.000 1.986 307 A HA -0.256 4.064 4.320 0.001 0.000 0.220 307 A C 2.094 179.733 177.584 0.093 0.000 1.171 307 A CA 1.710 53.772 52.037 0.043 0.000 0.640 307 A CB -1.266 17.753 19.000 0.031 0.000 0.811 307 A HN 0.637 nan 8.150 nan 0.000 0.451 308 H N -0.137 118.930 119.070 -0.005 0.000 2.299 308 H HA -0.112 4.445 4.556 0.001 0.000 0.302 308 H C 2.205 177.532 175.328 -0.001 0.000 1.078 308 H CA 2.257 58.304 56.048 -0.002 0.000 1.323 308 H CB 0.029 29.790 29.762 -0.001 0.000 1.381 308 H HN 0.389 nan 8.280 nan 0.000 0.498 309 V N -0.499 119.339 119.914 -0.126 0.000 2.490 309 V HA -0.232 3.889 4.120 0.001 0.000 0.250 309 V C 2.542 178.587 176.094 -0.083 0.000 1.061 309 V CA 1.798 63.993 62.300 -0.176 0.000 1.064 309 V CB -0.938 30.818 31.823 -0.112 0.000 0.670 309 V HN 0.354 nan 8.190 nan 0.000 0.461 310 M N 0.917 120.499 119.600 -0.030 0.000 2.082 310 M HA -0.236 4.245 4.480 0.001 0.000 0.258 310 M C 2.372 178.672 176.300 -0.000 0.000 1.071 310 M CA 2.731 58.026 55.300 -0.009 0.000 1.103 310 M CB -0.992 31.610 32.600 0.003 0.000 1.307 310 M HN 0.558 nan 8.290 nan 0.000 0.409 311 Q N -0.210 119.601 119.800 0.017 0.000 2.172 311 Q HA -0.127 4.214 4.340 0.001 0.000 0.200 311 Q C 2.070 178.083 176.000 0.022 0.000 0.964 311 Q CA 1.489 57.312 55.803 0.032 0.000 0.855 311 Q CB -0.286 28.491 28.738 0.065 0.000 0.918 311 Q HN 0.692 nan 8.270 nan 0.000 0.444 312 L N 0.749 121.960 121.223 -0.020 0.000 2.046 312 L HA -0.236 4.104 4.340 0.001 0.000 0.208 312 L C 2.688 179.560 176.870 0.003 0.000 1.077 312 L CA 1.205 56.023 54.840 -0.038 0.000 0.747 312 L CB -0.389 41.587 42.059 -0.139 0.000 0.896 312 L HN 0.193 nan 8.230 nan 0.000 0.432 313 Q N -0.504 119.294 119.800 -0.002 0.000 2.079 313 Q HA -0.142 4.198 4.340 0.001 0.000 0.200 313 Q C 2.359 178.393 176.000 0.056 0.000 0.974 313 Q CA 2.114 57.938 55.803 0.035 0.000 0.840 313 Q CB -0.873 27.872 28.738 0.012 0.000 0.898 313 Q HN 0.635 nan 8.270 nan 0.000 0.430 314 T N -1.959 112.611 114.554 0.028 0.000 2.821 314 T HA -0.069 4.282 4.350 0.001 0.000 0.267 314 T C 1.946 176.658 174.700 0.020 0.000 1.046 314 T CA 1.623 63.732 62.100 0.016 0.000 1.139 314 T CB -0.556 68.317 68.868 0.009 0.000 0.871 314 T HN 0.109 nan 8.240 nan 0.000 0.454 315 T N 0.900 115.477 114.554 0.038 0.000 2.788 315 T HA -0.108 4.242 4.350 0.001 0.000 0.268 315 T C 1.768 176.507 174.700 0.066 0.000 1.044 315 T CA 1.673 63.799 62.100 0.043 0.000 1.139 315 T CB -0.494 68.403 68.868 0.048 0.000 0.867 315 T HN 0.664 nan 8.240 nan 0.000 0.454 316 H N 0.593 119.655 119.070 -0.013 0.000 2.428 316 H HA 0.191 4.747 4.556 0.001 0.000 0.296 316 H C 1.971 177.290 175.328 -0.015 0.000 1.062 316 H CA 0.977 57.016 56.048 -0.015 0.000 1.350 316 H CB -0.438 29.312 29.762 -0.019 0.000 1.403 316 H HN 0.309 nan 8.280 nan 0.000 0.533 317 I N -0.849 119.672 120.570 -0.083 0.000 2.286 317 I HA -0.252 3.919 4.170 0.001 0.000 0.248 317 I C 2.484 178.529 176.117 -0.120 0.000 1.115 317 I CA 1.361 62.583 61.300 -0.130 0.000 1.392 317 I CB -0.254 37.711 38.000 -0.058 0.000 1.065 317 I HN 0.250 nan 8.210 nan 0.000 0.418 318 S N 0.282 115.938 115.700 -0.072 0.000 2.423 318 S HA -0.177 4.293 4.470 0.001 0.000 0.231 318 S C 1.852 176.418 174.600 -0.057 0.000 1.014 318 S CA 1.465 59.635 58.200 -0.050 0.000 0.965 318 S CB -0.169 63.018 63.200 -0.022 0.000 0.785 318 S HN 0.602 nan 8.310 nan 0.000 0.495 319 E N 0.437 120.590 120.200 -0.077 0.000 2.250 319 E HA 0.033 4.383 4.350 0.001 0.000 0.192 319 E C 1.915 178.456 176.600 -0.098 0.000 0.986 319 E CA 0.359 56.719 56.400 -0.067 0.000 0.849 319 E CB -0.497 29.181 29.700 -0.037 0.000 0.797 319 E HN 0.439 nan 8.360 nan 0.000 0.482 320 L N 1.469 122.587 121.223 -0.175 0.000 2.265 320 L HA -0.152 4.189 4.340 0.001 0.000 0.215 320 L C 1.736 178.555 176.870 -0.086 0.000 1.117 320 L CA 1.000 55.746 54.840 -0.157 0.000 0.782 320 L CB -0.334 41.586 42.059 -0.232 0.000 0.914 320 L HN 0.122 nan 8.230 nan 0.000 0.441 321 D N -0.410 119.945 120.400 -0.075 0.000 2.120 321 D HA -0.124 4.517 4.640 0.001 0.000 0.202 321 D C 2.348 178.631 176.300 -0.028 0.000 0.972 321 D CA 0.833 54.806 54.000 -0.045 0.000 0.837 321 D CB 0.068 40.842 40.800 -0.045 0.000 0.989 321 D HN 0.031 nan 8.370 nan 0.000 0.469 322 K N 0.520 120.903 120.400 -0.029 0.000 2.209 322 K HA -0.078 4.243 4.320 0.001 0.000 0.204 322 K C 2.016 178.605 176.600 -0.017 0.000 1.048 322 K CA 0.625 56.901 56.287 -0.018 0.000 0.940 322 K CB -0.180 32.310 32.500 -0.016 0.000 0.729 322 K HN 0.165 nan 8.250 nan 0.000 0.451 323 K N -0.502 119.884 120.400 -0.024 0.000 2.459 323 K HA 0.227 4.548 4.320 0.001 0.000 0.193 323 K C 1.530 178.125 176.600 -0.009 0.000 1.030 323 K CA 0.494 56.770 56.287 -0.018 0.000 1.026 323 K CB 0.104 32.588 32.500 -0.027 0.000 0.809 323 K HN 0.218 nan 8.250 nan 0.000 0.504 324 I N -0.719 119.849 120.570 -0.004 0.000 3.445 324 I HA -0.131 4.039 4.170 0.001 0.000 0.288 324 I C 1.855 177.974 176.117 0.003 0.000 1.198 324 I CA 0.176 61.485 61.300 0.015 0.000 1.417 324 I CB 0.362 38.389 38.000 0.044 0.000 1.205 324 I HN -0.027 nan 8.210 nan 0.000 0.448 325 E N 0.537 120.736 120.200 -0.002 0.000 2.130 325 E HA -0.209 4.142 4.350 0.001 0.000 0.196 325 E C 2.129 178.721 176.600 -0.013 0.000 0.998 325 E CA 1.932 58.328 56.400 -0.007 0.000 0.806 325 E CB -0.767 28.929 29.700 -0.006 0.000 0.738 325 E HN 0.571 nan 8.360 nan 0.000 0.459 326 T N 0.884 115.430 114.554 -0.013 0.000 2.701 326 T HA -0.019 4.331 4.350 0.001 0.000 0.263 326 T C 2.019 176.706 174.700 -0.022 0.000 1.040 326 T CA 1.175 63.266 62.100 -0.015 0.000 1.147 326 T CB -0.288 68.573 68.868 -0.012 0.000 0.865 326 T HN 0.182 nan 8.240 nan 0.000 0.426 327 L N 0.979 122.188 121.223 -0.024 0.000 2.056 327 L HA -0.080 4.260 4.340 0.001 0.000 0.207 327 L C 2.632 179.464 176.870 -0.064 0.000 1.078 327 L CA 0.994 55.811 54.840 -0.038 0.000 0.749 327 L CB -0.608 41.432 42.059 -0.031 0.000 0.901 327 L HN 0.203 nan 8.230 nan 0.000 0.433 328 N N 0.552 119.210 118.700 -0.070 0.000 2.166 328 N HA -0.115 4.626 4.740 0.001 0.000 0.186 328 N C 1.524 176.993 175.510 -0.068 0.000 1.019 328 N CA 1.408 54.400 53.050 -0.096 0.000 0.856 328 N CB -0.355 38.085 38.487 -0.079 0.000 0.993 328 N HN 0.286 nan 8.380 nan 0.000 0.426 329 G N -0.670 108.103 108.800 -0.044 0.000 3.332 329 G HA2 0.027 3.988 3.960 0.001 0.000 0.242 329 G HA3 0.027 3.988 3.960 0.001 0.000 0.242 329 G C 0.233 175.114 174.900 -0.032 0.000 1.276 329 G CA -0.235 44.845 45.100 -0.032 0.000 0.988 329 G HN 0.010 nan 8.290 nan 0.000 0.517 330 R N -0.276 120.200 120.500 -0.041 0.000 2.647 330 R HA 0.549 4.890 4.340 0.001 0.000 0.295 330 R C -0.565 175.707 176.300 -0.047 0.000 1.267 330 R CA -0.423 55.654 56.100 -0.037 0.000 1.386 330 R CB -0.346 29.935 30.300 -0.032 0.000 1.309 330 R HN 0.376 nan 8.270 nan 0.000 0.692 331 I N 0.000 120.540 120.570 -0.050 0.000 2.984 331 I HA 0.000 4.170 4.170 0.001 0.000 0.288 331 I CA 0.000 61.266 61.300 -0.057 0.000 1.566 331 I CB 0.000 37.948 38.000 -0.087 0.000 1.214 331 I HN 0.000 nan 8.210 nan 0.000 0.494