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 3lcp_1_B DATA FIRST_RESID 41 DATA SEQUENCE LPHRRFEYKY SFKGPHLVQS DGTVPFWAHA GNAIPSSDQI RVAPSLKSQR DATA SEQUENCE GSVWTKTKAA FENWEVEVTF RVTGRGRIGA DGLAIWYAEN QGLEGPVFGS DATA SEQUENCE ADLWNGVGIF FDSFDNDGKK NNPAIVIIGN NGQIHYDHQN DGASQALASc DATA SEQUENCE QRDFRNKPYP VRAKITYYQN TLTVMINNGF TPDKNDYEFc AKVENMIIPA DATA SEQUENCE QGHFGISAAT GGLADDHDVL SFLTFQLTEP GKEP 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 41 L HA 0.000 nan 4.340 nan 0.000 0.249 41 L C 0.000 176.865 176.870 -0.009 0.000 1.165 41 L CA 0.000 54.828 54.840 -0.019 0.000 0.813 41 L CB 0.000 42.051 42.059 -0.013 0.000 0.961 42 P HA 0.130 nan 4.420 nan 0.000 0.279 42 P C -0.790 176.509 177.300 -0.002 0.000 1.239 42 P CA -0.080 62.986 63.100 -0.057 0.000 0.789 42 P CB 0.843 32.339 31.700 -0.340 0.000 0.933 43 H N 3.866 122.921 119.070 -0.024 0.000 2.722 43 H HA 0.157 4.713 4.556 -0.001 0.000 0.328 43 H C -0.146 175.178 175.328 -0.006 0.000 1.067 43 H CA -0.138 55.905 56.048 -0.009 0.000 1.447 43 H CB 0.704 30.477 29.762 0.019 0.000 1.469 43 H HN 0.252 nan 8.280 nan 0.000 0.544 44 R N 4.815 125.058 120.500 -0.427 0.000 2.255 44 R HA 0.232 4.572 4.340 -0.001 0.000 0.326 44 R C -0.156 175.985 176.300 -0.266 0.000 0.986 44 R CA -0.627 55.322 56.100 -0.252 0.000 0.847 44 R CB 1.538 31.705 30.300 -0.220 0.000 1.111 44 R HN 0.611 nan 8.270 nan 0.000 0.452 45 R N 3.472 123.947 120.500 -0.042 0.000 2.393 45 R HA 0.215 4.554 4.340 -0.001 0.000 0.315 45 R C -0.932 175.459 176.300 0.151 0.000 0.952 45 R CA -0.608 55.516 56.100 0.041 0.000 0.842 45 R CB 0.878 31.180 30.300 0.004 0.000 1.163 45 R HN 0.397 nan 8.270 nan 0.000 0.450 46 F N 3.408 123.384 119.950 0.043 0.000 2.471 46 F HA 0.165 4.691 4.527 -0.002 0.000 0.353 46 F C -0.293 175.411 175.800 -0.159 0.000 1.113 46 F CA 0.223 58.040 58.000 -0.304 0.000 1.262 46 F CB 0.861 39.702 39.000 -0.266 0.000 1.146 46 F HN 0.417 nan 8.300 nan 0.000 0.578 47 E N 6.968 126.416 120.200 -1.253 0.000 2.207 47 E HA 0.011 4.360 4.350 -0.001 0.000 0.250 47 E C -0.089 175.959 176.600 -0.920 0.000 0.890 47 E CA -0.332 55.662 56.400 -0.678 0.000 0.749 47 E CB 0.785 30.367 29.700 -0.197 0.000 1.193 47 E HN 0.868 nan 8.360 nan 0.000 0.423 48 Y N 2.321 122.273 120.300 -0.581 0.000 2.314 48 Y HA 0.026 4.575 4.550 -0.001 0.000 0.293 48 Y C 1.904 177.674 175.900 -0.217 0.000 1.129 48 Y CA 1.000 58.959 58.100 -0.236 0.000 1.201 48 Y CB 0.088 38.610 38.460 0.102 0.000 0.999 48 Y HN 0.219 nan 8.280 nan 0.000 0.541 49 K N -0.231 119.328 120.400 -1.400 0.000 2.283 49 K HA -0.101 4.218 4.320 -0.001 0.000 0.202 49 K C -0.176 175.869 176.600 -0.925 0.000 1.048 49 K CA 0.971 56.343 56.287 -1.524 0.000 0.948 49 K CB -0.158 31.330 32.500 -1.688 0.000 0.742 49 K HN 0.518 nan 8.250 nan 0.000 0.458 50 Y N -0.408 119.782 120.300 -0.184 0.000 2.720 50 Y HA 0.302 4.851 4.550 -0.001 0.000 0.268 50 Y C -0.222 175.898 175.900 0.367 0.000 1.142 50 Y CA -0.646 57.459 58.100 0.009 0.000 1.193 50 Y CB 0.818 39.285 38.460 0.011 0.000 1.176 50 Y HN -0.174 nan 8.280 nan 0.000 0.542 51 S N 0.571 116.606 115.700 0.559 0.000 2.667 51 S HA 0.808 5.278 4.470 -0.001 0.000 0.292 51 S C -1.164 173.730 174.600 0.491 0.000 1.126 51 S CA -0.724 57.774 58.200 0.497 0.000 0.881 51 S CB 2.193 65.558 63.200 0.276 0.000 1.132 51 S HN 0.218 nan 8.310 nan 0.000 0.492 52 F N -0.347 119.693 119.950 0.150 0.000 2.668 52 F HA 0.882 5.409 4.527 -0.000 0.000 0.309 52 F C -1.161 174.660 175.800 0.036 0.000 1.117 52 F CA -1.070 56.927 58.000 -0.005 0.000 0.951 52 F CB 1.003 39.774 39.000 -0.383 0.000 1.323 52 F HN 0.725 nan 8.300 nan 0.000 0.451 53 K N 0.670 121.295 120.400 0.375 0.000 2.672 53 K HA 0.677 4.997 4.320 -0.001 0.000 0.295 53 K C -0.598 176.101 176.600 0.164 0.000 1.042 53 K CA -0.866 55.572 56.287 0.251 0.000 0.869 53 K CB 1.111 33.697 32.500 0.143 0.000 1.541 53 K HN 1.154 nan 8.250 nan 0.000 0.396 54 G N 0.247 109.108 108.800 0.101 0.000 2.684 54 G HA2 0.339 4.298 3.960 -0.001 0.000 0.255 54 G HA3 0.339 4.298 3.960 -0.001 0.000 0.255 54 G C -1.627 173.294 174.900 0.035 0.000 1.219 54 G CA -0.964 44.156 45.100 0.033 0.000 0.901 54 G HN 0.551 nan 8.290 nan 0.000 0.548 55 P HA 0.161 nan 4.420 nan 0.000 0.266 55 P C -0.048 177.002 177.300 -0.416 0.000 1.381 55 P CA 0.342 63.327 63.100 -0.192 0.000 0.940 55 P CB 0.352 31.911 31.700 -0.236 0.000 1.435 56 H N -0.165 118.914 119.070 0.014 0.000 2.502 56 H HA 0.239 4.794 4.556 -0.001 0.000 0.268 56 H C 1.452 176.778 175.328 -0.004 0.000 1.177 56 H CA -0.450 55.600 56.048 0.003 0.000 0.961 56 H CB 0.446 30.213 29.762 0.008 0.000 1.737 56 H HN 0.056 nan 8.280 nan 0.000 0.569 57 L N 0.307 121.550 121.223 0.032 0.000 2.021 57 L HA -0.134 4.205 4.340 -0.001 0.000 0.215 57 L C 0.860 177.694 176.870 -0.060 0.000 1.074 57 L CA 1.349 56.187 54.840 -0.004 0.000 0.760 57 L CB 0.286 42.308 42.059 -0.062 0.000 0.889 57 L HN 0.116 nan 8.230 nan 0.000 0.433 58 V N -0.105 119.765 119.914 -0.074 0.000 2.617 58 V HA 0.165 4.285 4.120 -0.001 0.000 0.298 58 V C 0.112 176.176 176.094 -0.050 0.000 1.048 58 V CA -0.665 61.573 62.300 -0.103 0.000 0.964 58 V CB 1.650 33.397 31.823 -0.126 0.000 1.004 58 V HN 0.297 nan 8.190 nan 0.000 0.466 59 Q N 2.040 121.799 119.800 -0.067 0.000 2.382 59 Q HA 0.190 4.529 4.340 -0.001 0.000 0.229 59 Q C 1.483 177.466 176.000 -0.029 0.000 1.006 59 Q CA 0.431 56.209 55.803 -0.043 0.000 0.916 59 Q CB 1.123 29.825 28.738 -0.060 0.000 1.235 59 Q HN 1.026 nan 8.270 nan 0.000 0.512 60 S N 0.286 115.976 115.700 -0.015 0.000 2.420 60 S HA -0.191 4.278 4.470 -0.001 0.000 0.237 60 S C 0.965 175.559 174.600 -0.010 0.000 1.023 60 S CA 1.722 59.918 58.200 -0.008 0.000 0.991 60 S CB -0.157 63.039 63.200 -0.005 0.000 0.792 60 S HN 0.814 nan 8.310 nan 0.000 0.488 61 D N 0.056 120.448 120.400 -0.014 0.000 2.340 61 D HA 0.268 4.907 4.640 -0.001 0.000 0.217 61 D C 1.344 177.641 176.300 -0.004 0.000 1.081 61 D CA 0.534 54.530 54.000 -0.006 0.000 0.842 61 D CB -0.320 40.478 40.800 -0.004 0.000 0.934 61 D HN 0.579 nan 8.370 nan 0.000 0.511 62 G N 0.391 109.177 108.800 -0.022 0.000 2.195 62 G HA2 -0.261 3.699 3.960 -0.001 0.000 0.246 62 G HA3 -0.261 3.699 3.960 -0.001 0.000 0.246 62 G C 0.487 175.335 174.900 -0.086 0.000 0.984 62 G CA 0.399 45.479 45.100 -0.033 0.000 0.633 62 G HN 0.750 nan 8.290 nan 0.000 0.525 63 T N -0.998 113.513 114.554 -0.072 0.000 2.909 63 T HA 0.641 4.991 4.350 -0.001 0.000 0.289 63 T C 0.240 174.835 174.700 -0.174 0.000 1.005 63 T CA -0.268 61.769 62.100 -0.105 0.000 1.084 63 T CB 2.524 71.375 68.868 -0.029 0.000 0.975 63 T HN 0.803 nan 8.240 nan 0.000 0.509 64 V N 5.041 124.824 119.914 -0.219 0.000 2.408 64 V HA 0.292 4.412 4.120 -0.001 0.000 0.267 64 V C -1.857 174.181 176.094 -0.093 0.000 1.047 64 V CA -1.879 60.305 62.300 -0.193 0.000 0.937 64 V CB 0.266 31.902 31.823 -0.311 0.000 0.999 64 V HN 0.831 nan 8.190 nan 0.000 0.472 65 P HA 0.075 nan 4.420 nan 0.000 0.264 65 P C 0.126 177.189 177.300 -0.396 0.000 1.183 65 P CA 0.303 63.059 63.100 -0.574 0.000 0.763 65 P CB 0.126 31.256 31.700 -0.950 0.000 0.807 66 F N -1.596 118.467 119.950 0.188 0.000 2.825 66 F HA -0.196 4.331 4.527 -0.000 0.000 0.358 66 F C -0.130 175.712 175.800 0.069 0.000 0.639 66 F CA 0.608 58.665 58.000 0.095 0.000 1.153 66 F CB -2.899 36.106 39.000 0.009 0.000 1.610 66 F HN 0.308 nan 8.300 nan 0.000 0.305 67 W N 0.437 121.810 121.300 0.122 0.000 2.736 67 W HA 0.802 5.462 4.660 -0.000 0.000 0.335 67 W C -0.200 176.384 176.519 0.108 0.000 1.059 67 W CA -1.133 56.290 57.345 0.129 0.000 1.226 67 W CB 1.630 31.158 29.460 0.113 0.000 1.416 67 W HN 0.157 nan 8.180 nan 0.000 0.505 68 A N 2.321 125.349 122.820 0.347 0.000 2.292 68 A HA 0.668 4.988 4.320 -0.001 0.000 0.319 68 A C -0.759 177.043 177.584 0.363 0.000 1.206 68 A CA -0.541 51.669 52.037 0.289 0.000 0.835 68 A CB -0.069 19.023 19.000 0.153 0.000 1.164 68 A HN 0.793 nan 8.150 nan 0.000 0.505 69 H N 0.029 119.169 119.070 0.118 0.000 2.525 69 H HA 0.894 5.449 4.556 -0.002 0.000 0.340 69 H C -0.204 175.164 175.328 0.066 0.000 1.168 69 H CA -0.576 55.527 56.048 0.092 0.000 1.247 69 H CB 1.626 31.401 29.762 0.022 0.000 1.568 69 H HN 0.867 nan 8.280 nan 0.000 0.536 70 A N 0.686 123.526 122.820 0.033 0.000 2.586 70 A HA 0.662 4.982 4.320 -0.001 0.000 0.290 70 A C 0.534 178.111 177.584 -0.011 0.000 1.086 70 A CA -0.283 51.720 52.037 -0.058 0.000 0.665 70 A CB 0.722 19.709 19.000 -0.022 0.000 1.279 70 A HN 1.624 nan 8.150 nan 0.000 0.423 71 G N 0.758 109.537 108.800 -0.035 0.000 2.556 71 G HA2 -0.243 3.716 3.960 -0.001 0.000 0.283 71 G HA3 -0.243 3.716 3.960 -0.001 0.000 0.283 71 G C -0.081 174.812 174.900 -0.011 0.000 1.177 71 G CA 0.472 45.564 45.100 -0.014 0.000 0.978 71 G HN 1.439 nan 8.290 nan 0.000 0.554 72 N N 2.256 120.966 118.700 0.015 0.000 2.671 72 N HA 0.522 5.261 4.740 -0.001 0.000 0.303 72 N C 0.286 175.830 175.510 0.056 0.000 1.351 72 N CA 0.618 53.684 53.050 0.027 0.000 0.991 72 N CB 0.780 39.283 38.487 0.026 0.000 1.307 72 N HN 0.983 nan 8.380 nan 0.000 0.512 73 A N 0.971 123.838 122.820 0.079 0.000 2.354 73 A HA 0.397 4.717 4.320 -0.001 0.000 0.281 73 A C 0.006 177.682 177.584 0.153 0.000 1.174 73 A CA -0.256 51.851 52.037 0.118 0.000 0.828 73 A CB 0.234 19.328 19.000 0.157 0.000 1.099 73 A HN 0.172 nan 8.150 nan 0.000 0.516 74 I N 5.751 126.364 120.570 0.071 0.000 2.330 74 I HA 0.304 4.473 4.170 -0.001 0.000 0.286 74 I C -2.264 173.817 176.117 -0.060 0.000 1.025 74 I CA -2.947 58.372 61.300 0.032 0.000 1.197 74 I CB 0.988 39.002 38.000 0.023 0.000 1.358 74 I HN 0.379 nan 8.210 nan 0.000 0.467 75 P HA 0.346 nan 4.420 nan 0.000 0.285 75 P C -0.433 176.769 177.300 -0.164 0.000 1.259 75 P CA -0.106 62.847 63.100 -0.244 0.000 0.794 75 P CB 1.646 33.089 31.700 -0.428 0.000 0.940 76 S N 1.123 116.739 115.700 -0.140 0.000 2.921 76 S HA 0.420 4.889 4.470 -0.001 0.000 0.315 76 S C 1.172 175.712 174.600 -0.099 0.000 1.087 76 S CA -0.416 57.726 58.200 -0.097 0.000 0.877 76 S CB 0.350 63.511 63.200 -0.065 0.000 1.340 76 S HN 0.234 nan 8.310 nan 0.000 0.622 77 S N 1.425 117.079 115.700 -0.078 0.000 2.414 77 S HA -0.013 4.456 4.470 -0.001 0.000 0.227 77 S C 1.039 175.589 174.600 -0.083 0.000 1.022 77 S CA 1.203 59.353 58.200 -0.084 0.000 0.958 77 S CB -0.524 62.611 63.200 -0.108 0.000 0.797 77 S HN 0.872 nan 8.310 nan 0.000 0.493 78 D N 0.587 120.947 120.400 -0.067 0.000 2.423 78 D HA 0.053 4.692 4.640 -0.001 0.000 0.208 78 D C 0.636 176.931 176.300 -0.008 0.000 1.068 78 D CA 0.061 54.037 54.000 -0.040 0.000 0.860 78 D CB -0.050 40.725 40.800 -0.042 0.000 0.992 78 D HN 0.589 nan 8.370 nan 0.000 0.504 79 Q N -0.572 119.213 119.800 -0.024 0.000 2.630 79 Q HA 0.516 4.855 4.340 -0.001 0.000 0.295 79 Q C -1.423 174.533 176.000 -0.073 0.000 0.944 79 Q CA -0.980 54.820 55.803 -0.005 0.000 0.766 79 Q CB 1.308 30.059 28.738 0.023 0.000 1.471 79 Q HN -0.028 nan 8.270 nan 0.000 0.416 80 I N 1.374 121.898 120.570 -0.077 0.000 2.354 80 I HA 0.377 4.546 4.170 -0.001 0.000 0.286 80 I C -0.257 175.848 176.117 -0.019 0.000 1.007 80 I CA -0.625 60.600 61.300 -0.124 0.000 1.167 80 I CB 1.531 39.363 38.000 -0.280 0.000 1.320 80 I HN 0.532 nan 8.210 nan 0.000 0.458 81 R N 5.510 126.008 120.500 -0.004 0.000 2.357 81 R HA 0.188 4.527 4.340 -0.001 0.000 0.330 81 R C 0.385 176.721 176.300 0.060 0.000 1.102 81 R CA -0.076 56.049 56.100 0.041 0.000 0.974 81 R CB 0.533 30.852 30.300 0.032 0.000 1.002 81 R HN 0.628 nan 8.270 nan 0.000 0.463 82 V N 3.425 123.396 119.914 0.094 0.000 2.323 82 V HA 0.022 4.141 4.120 -0.001 0.000 0.244 82 V C 0.821 176.980 176.094 0.108 0.000 1.041 82 V CA 1.689 64.044 62.300 0.092 0.000 1.025 82 V CB -0.294 31.583 31.823 0.090 0.000 0.656 82 V HN 0.820 nan 8.190 nan 0.000 0.451 83 A N 0.438 123.358 122.820 0.167 0.000 2.375 83 A HA 0.765 5.084 4.320 -0.001 0.000 0.295 83 A C -3.012 174.707 177.584 0.225 0.000 1.066 83 A CA -1.538 50.606 52.037 0.179 0.000 0.722 83 A CB 1.337 20.427 19.000 0.150 0.000 1.206 83 A HN 0.177 nan 8.150 nan 0.000 0.435 84 P HA 0.159 nan 4.420 nan 0.000 0.274 84 P C 0.753 178.099 177.300 0.078 0.000 1.246 84 P CA -0.241 62.908 63.100 0.081 0.000 0.795 84 P CB 0.680 32.411 31.700 0.051 0.000 1.006 85 S N -0.149 115.572 115.700 0.036 0.000 3.054 85 S HA 0.059 4.528 4.470 -0.001 0.000 0.243 85 S C 0.449 175.063 174.600 0.023 0.000 1.013 85 S CA 0.107 58.321 58.200 0.023 0.000 1.119 85 S CB -1.512 61.688 63.200 -0.001 0.000 0.838 85 S HN 0.209 nan 8.310 nan 0.000 0.505 86 L N 0.250 121.491 121.223 0.030 0.000 2.400 86 L HA 0.487 4.826 4.340 -0.001 0.000 0.264 86 L C 0.513 177.394 176.870 0.018 0.000 1.061 86 L CA -1.139 53.712 54.840 0.019 0.000 0.799 86 L CB 0.725 42.794 42.059 0.017 0.000 1.240 86 L HN -0.020 nan 8.230 nan 0.000 0.461 87 K N 0.408 120.812 120.400 0.006 0.000 2.298 87 K HA 0.163 4.482 4.320 -0.001 0.000 0.280 87 K C 0.300 176.897 176.600 -0.006 0.000 1.032 87 K CA 0.218 56.503 56.287 -0.004 0.000 0.958 87 K CB 0.845 33.339 32.500 -0.009 0.000 0.978 87 K HN 0.764 nan 8.250 nan 0.000 0.472 88 S N 1.755 117.445 115.700 -0.017 0.000 3.524 88 S HA -0.177 4.292 4.470 -0.001 0.000 0.377 88 S C -0.298 174.294 174.600 -0.013 0.000 0.949 88 S CA 0.545 58.731 58.200 -0.024 0.000 1.264 88 S CB -1.180 62.003 63.200 -0.028 0.000 0.918 88 S HN 0.551 nan 8.310 nan 0.000 0.517 89 Q N 0.968 120.768 119.800 0.001 0.000 2.235 89 Q HA 0.654 4.993 4.340 -0.001 0.000 0.256 89 Q C 0.383 176.389 176.000 0.009 0.000 0.951 89 Q CA -0.316 55.496 55.803 0.014 0.000 0.890 89 Q CB 1.521 30.284 28.738 0.041 0.000 1.279 89 Q HN 0.719 nan 8.270 nan 0.000 0.444 90 R N -0.220 120.288 120.500 0.014 0.000 2.564 90 R HA 0.775 5.114 4.340 -0.001 0.000 0.284 90 R C -0.670 175.652 176.300 0.037 0.000 1.031 90 R CA -0.611 55.500 56.100 0.017 0.000 0.904 90 R CB 2.220 32.522 30.300 0.003 0.000 1.199 90 R HN 0.768 nan 8.270 nan 0.000 0.443 91 G N 0.382 109.218 108.800 0.060 0.000 2.733 91 G HA2 0.534 4.494 3.960 -0.001 0.000 0.297 91 G HA3 0.534 4.494 3.960 -0.001 0.000 0.297 91 G C -1.372 173.605 174.900 0.128 0.000 1.422 91 G CA -0.558 44.592 45.100 0.083 0.000 0.942 91 G HN 0.525 nan 8.290 nan 0.000 0.510 92 S N -0.983 114.816 115.700 0.165 0.000 2.541 92 S HA 0.750 5.219 4.470 -0.001 0.000 0.271 92 S C -1.222 173.545 174.600 0.278 0.000 1.133 92 S CA -0.799 57.549 58.200 0.246 0.000 0.876 92 S CB 1.983 65.423 63.200 0.400 0.000 1.105 92 S HN 1.089 nan 8.310 nan 0.000 0.470 93 V N 1.983 122.038 119.914 0.235 0.000 2.407 93 V HA 0.591 4.710 4.120 -0.001 0.000 0.291 93 V C -1.283 175.046 176.094 0.391 0.000 1.018 93 V CA -0.406 62.088 62.300 0.323 0.000 0.842 93 V CB 0.476 32.391 31.823 0.153 0.000 0.996 93 V HN 0.945 nan 8.190 nan 0.000 0.426 94 W N 1.723 123.222 121.300 0.332 0.000 2.799 94 W HA 0.649 5.308 4.660 -0.002 0.000 0.349 94 W C 0.639 177.094 176.519 -0.107 0.000 1.100 94 W CA -0.714 56.715 57.345 0.141 0.000 1.174 94 W CB 1.611 31.037 29.460 -0.056 0.000 1.427 94 W HN 0.621 nan 8.180 nan 0.000 0.547 95 T N -1.069 113.286 114.554 -0.332 0.000 2.919 95 T HA 0.187 4.536 4.350 -0.001 0.000 0.302 95 T C 0.775 175.454 174.700 -0.035 0.000 1.031 95 T CA -0.319 61.418 62.100 -0.605 0.000 1.127 95 T CB 1.229 69.782 68.868 -0.525 0.000 0.952 95 T HN 0.505 nan 8.240 nan 0.000 0.540 96 K N 0.959 121.321 120.400 -0.063 0.000 2.097 96 K HA 0.007 4.327 4.320 -0.001 0.000 0.205 96 K C 1.281 177.935 176.600 0.089 0.000 1.050 96 K CA 1.208 57.525 56.287 0.049 0.000 0.938 96 K CB -0.092 32.434 32.500 0.044 0.000 0.718 96 K HN 0.905 nan 8.250 nan 0.000 0.442 97 T N -1.318 113.233 114.554 -0.005 0.000 2.942 97 T HA 0.338 4.687 4.350 -0.001 0.000 0.289 97 T C -0.439 174.094 174.700 -0.278 0.000 1.044 97 T CA -1.119 60.932 62.100 -0.082 0.000 1.023 97 T CB 2.007 70.828 68.868 -0.079 0.000 1.123 97 T HN -0.175 nan 8.240 nan 0.000 0.512 98 K N 0.869 120.987 120.400 -0.469 0.000 2.298 98 K HA 0.543 4.862 4.320 -0.001 0.000 0.280 98 K C 0.049 176.403 176.600 -0.411 0.000 1.032 98 K CA -0.519 55.395 56.287 -0.621 0.000 0.958 98 K CB 0.973 33.154 32.500 -0.531 0.000 0.978 98 K HN 0.803 nan 8.250 nan 0.000 0.472 99 A N 1.687 124.104 122.820 -0.672 0.000 2.331 99 A HA 0.495 4.815 4.320 -0.001 0.000 0.283 99 A C -0.032 177.074 177.584 -0.796 0.000 1.142 99 A CA -0.455 50.921 52.037 -1.102 0.000 0.812 99 A CB 0.716 18.844 19.000 -1.454 0.000 1.074 99 A HN 0.758 nan 8.150 nan 0.000 0.497 100 A N 2.653 124.967 122.820 -0.844 0.000 3.215 100 A HA 0.622 4.942 4.320 -0.001 0.000 0.320 100 A C -0.920 176.562 177.584 -0.170 0.000 1.084 100 A CA -0.324 51.495 52.037 -0.364 0.000 0.969 100 A CB -0.483 18.409 19.000 -0.181 0.000 1.064 100 A HN 0.525 nan 8.150 nan 0.000 0.513 101 F N 0.032 120.045 119.950 0.106 0.000 2.436 101 F HA 0.393 4.919 4.527 -0.001 0.000 0.340 101 F C 1.170 177.136 175.800 0.277 0.000 1.113 101 F CA -1.197 56.925 58.000 0.203 0.000 1.022 101 F CB 1.412 40.578 39.000 0.278 0.000 1.128 101 F HN 0.507 nan 8.300 nan 0.000 0.466 102 E N 1.121 121.567 120.200 0.409 0.000 2.107 102 E HA -0.051 4.298 4.350 -0.001 0.000 0.191 102 E C -0.116 176.683 176.600 0.332 0.000 0.982 102 E CA 0.882 57.466 56.400 0.308 0.000 0.809 102 E CB 0.148 29.966 29.700 0.197 0.000 0.756 102 E HN 0.422 nan 8.360 nan 0.000 0.459 103 N N 0.222 119.111 118.700 0.316 0.000 2.296 103 N HA 0.215 4.955 4.740 -0.001 0.000 0.294 103 N C -0.948 174.748 175.510 0.310 0.000 1.033 103 N CA -0.405 52.776 53.050 0.217 0.000 0.839 103 N CB 1.605 40.222 38.487 0.216 0.000 1.395 103 N HN 0.157 nan 8.380 nan 0.000 0.479 104 W N 0.346 121.805 121.300 0.265 0.000 3.018 104 W HA 0.643 5.303 4.660 -0.001 0.000 0.352 104 W C -1.307 175.292 176.519 0.134 0.000 1.230 104 W CA -0.699 56.757 57.345 0.186 0.000 1.162 104 W CB 1.358 31.000 29.460 0.304 0.000 1.483 104 W HN 0.405 nan 8.180 nan 0.000 0.584 105 E N 1.201 121.741 120.200 0.566 0.000 2.352 105 E HA 0.486 4.835 4.350 -0.001 0.000 0.280 105 E C -1.841 174.966 176.600 0.346 0.000 0.930 105 E CA -0.714 55.913 56.400 0.379 0.000 0.765 105 E CB 2.952 32.712 29.700 0.101 0.000 1.219 105 E HN 0.537 nan 8.360 nan 0.000 0.434 106 V N 0.444 120.480 119.914 0.202 0.000 2.588 106 V HA 0.636 4.756 4.120 -0.001 0.000 0.304 106 V C -0.837 175.177 176.094 -0.133 0.000 1.042 106 V CA -0.760 61.474 62.300 -0.110 0.000 0.877 106 V CB 1.609 33.143 31.823 -0.482 0.000 0.996 106 V HN 0.678 nan 8.190 nan 0.000 0.425 107 E N 3.337 123.468 120.200 -0.115 0.000 2.166 107 E HA 0.720 5.069 4.350 -0.001 0.000 0.275 107 E C -1.336 175.147 176.600 -0.194 0.000 0.941 107 E CA -0.868 55.492 56.400 -0.066 0.000 0.784 107 E CB 2.692 32.447 29.700 0.091 0.000 1.115 107 E HN 0.612 nan 8.360 nan 0.000 0.399 108 V N 2.729 122.568 119.914 -0.126 0.000 2.483 108 V HA 0.281 4.401 4.120 -0.001 0.000 0.297 108 V C -0.343 175.797 176.094 0.077 0.000 1.027 108 V CA -0.707 61.516 62.300 -0.127 0.000 0.855 108 V CB 1.943 33.661 31.823 -0.175 0.000 0.995 108 V HN 0.695 nan 8.190 nan 0.000 0.424 109 T N 6.480 121.077 114.554 0.071 0.000 2.794 109 T HA 0.811 5.160 4.350 -0.001 0.000 0.280 109 T C -0.643 174.155 174.700 0.163 0.000 0.987 109 T CA -0.199 61.932 62.100 0.052 0.000 0.993 109 T CB 0.741 69.614 68.868 0.009 0.000 0.939 109 T HN 0.609 nan 8.240 nan 0.000 0.449 110 F N -0.003 119.911 119.950 -0.060 0.000 2.686 110 F HA 0.773 5.299 4.527 -0.002 0.000 0.311 110 F C -1.057 174.728 175.800 -0.024 0.000 1.128 110 F CA -1.548 56.425 58.000 -0.046 0.000 0.946 110 F CB 1.532 40.472 39.000 -0.101 0.000 1.336 110 F HN 0.246 nan 8.300 nan 0.000 0.457 111 R N 1.429 122.061 120.500 0.220 0.000 2.599 111 R HA 0.765 5.104 4.340 -0.001 0.000 0.295 111 R C -1.856 174.590 176.300 0.242 0.000 0.963 111 R CA -1.222 54.956 56.100 0.130 0.000 0.883 111 R CB 2.585 32.912 30.300 0.046 0.000 1.171 111 R HN 0.626 nan 8.270 nan 0.000 0.450 112 V N 2.793 122.853 119.914 0.243 0.000 2.376 112 V HA 0.354 4.473 4.120 -0.001 0.000 0.287 112 V C -0.492 175.627 176.094 0.042 0.000 1.015 112 V CA -0.537 61.861 62.300 0.164 0.000 0.834 112 V CB 1.859 33.919 31.823 0.396 0.000 1.001 112 V HN 0.797 nan 8.190 nan 0.000 0.428 113 T N 3.063 117.590 114.554 -0.046 0.000 2.824 113 T HA 0.803 5.152 4.350 -0.001 0.000 0.282 113 T C 0.140 174.806 174.700 -0.058 0.000 0.993 113 T CA -0.649 61.425 62.100 -0.043 0.000 0.967 113 T CB 1.847 70.692 68.868 -0.038 0.000 0.960 113 T HN 0.948 nan 8.240 nan 0.000 0.441 114 G N 0.991 109.770 108.800 -0.036 0.000 2.753 114 G HA2 0.395 4.354 3.960 -0.001 0.000 0.297 114 G HA3 0.395 4.354 3.960 -0.001 0.000 0.297 114 G C 0.330 175.223 174.900 -0.013 0.000 1.430 114 G CA -0.935 44.151 45.100 -0.024 0.000 1.040 114 G HN 0.592 nan 8.290 nan 0.000 0.530 115 R N 0.373 120.869 120.500 -0.008 0.000 2.249 115 R HA -0.048 4.291 4.340 -0.001 0.000 0.230 115 R C 1.459 177.760 176.300 0.002 0.000 1.121 115 R CA 1.254 57.351 56.100 -0.004 0.000 0.997 115 R CB 0.152 30.451 30.300 -0.002 0.000 0.867 115 R HN 0.500 nan 8.270 nan 0.000 0.465 116 G N -0.934 107.871 108.800 0.008 0.000 2.932 116 G HA2 0.294 4.253 3.960 -0.001 0.000 0.283 116 G HA3 0.294 4.253 3.960 -0.001 0.000 0.283 116 G C -0.151 174.758 174.900 0.015 0.000 1.336 116 G CA -0.634 44.476 45.100 0.016 0.000 1.056 116 G HN -0.010 nan 8.290 nan 0.000 0.522 117 R N -1.601 118.912 120.500 0.021 0.000 2.290 117 R HA 0.330 4.669 4.340 -0.001 0.000 0.197 117 R C 0.177 176.492 176.300 0.025 0.000 0.913 117 R CA 0.222 56.332 56.100 0.016 0.000 1.040 117 R CB -0.043 30.266 30.300 0.016 0.000 0.992 117 R HN 0.431 nan 8.270 nan 0.000 0.500 118 I N 0.015 120.616 120.570 0.050 0.000 2.436 118 I HA 0.470 4.639 4.170 -0.001 0.000 0.289 118 I C 0.147 176.334 176.117 0.118 0.000 1.010 118 I CA -0.955 60.400 61.300 0.091 0.000 1.098 118 I CB 2.154 40.229 38.000 0.124 0.000 1.266 118 I HN -0.028 nan 8.210 nan 0.000 0.434 119 G N 3.722 112.610 108.800 0.146 0.000 2.730 119 G HA2 0.923 4.882 3.960 -0.001 0.000 0.289 119 G HA3 0.923 4.882 3.960 -0.001 0.000 0.289 119 G C -1.752 173.289 174.900 0.236 0.000 1.341 119 G CA -0.820 44.368 45.100 0.147 0.000 0.932 119 G HN 0.846 nan 8.290 nan 0.000 0.481 120 A N -0.720 122.213 122.820 0.188 0.000 2.589 120 A HA 0.680 4.999 4.320 -0.001 0.000 0.296 120 A C -0.420 177.310 177.584 0.244 0.000 1.062 120 A CA -0.408 51.729 52.037 0.166 0.000 0.686 120 A CB 1.538 20.425 19.000 -0.189 0.000 1.282 120 A HN 0.444 nan 8.150 nan 0.000 0.404 121 D N 0.163 120.699 120.400 0.227 0.000 2.379 121 D HA 0.405 5.044 4.640 -0.001 0.000 0.218 121 D C 0.924 177.502 176.300 0.462 0.000 1.006 121 D CA 1.839 55.956 54.000 0.194 0.000 0.893 121 D CB 1.210 41.966 40.800 -0.073 0.000 1.019 121 D HN 1.297 nan 8.370 nan 0.000 0.503 122 G N 0.497 109.558 108.800 0.436 0.000 2.357 122 G HA2 0.220 4.179 3.960 -0.001 0.000 0.289 122 G HA3 0.220 4.179 3.960 -0.001 0.000 0.289 122 G C -2.107 172.900 174.900 0.179 0.000 1.302 122 G CA -0.576 44.853 45.100 0.547 0.000 0.936 122 G HN 0.170 nan 8.290 nan 0.000 0.513 123 L N -0.441 120.795 121.223 0.021 0.000 2.370 123 L HA 0.976 5.315 4.340 -0.001 0.000 0.266 123 L C -0.087 176.623 176.870 -0.266 0.000 1.002 123 L CA -0.428 54.305 54.840 -0.179 0.000 0.818 123 L CB 1.990 43.845 42.059 -0.340 0.000 1.325 123 L HN 1.883 nan 8.230 nan 0.000 0.418 124 A N 5.072 127.763 122.820 -0.216 0.000 2.371 124 A HA 0.786 5.105 4.320 -0.001 0.000 0.311 124 A C -1.108 176.249 177.584 -0.378 0.000 1.068 124 A CA -0.534 51.312 52.037 -0.318 0.000 0.744 124 A CB 1.123 19.871 19.000 -0.420 0.000 1.239 124 A HN 0.677 nan 8.150 nan 0.000 0.435 125 I N 1.225 121.554 120.570 -0.402 0.000 2.404 125 I HA 0.459 4.628 4.170 -0.001 0.000 0.293 125 I C -1.151 174.744 176.117 -0.370 0.000 0.992 125 I CA -0.285 60.898 61.300 -0.195 0.000 1.149 125 I CB 1.536 39.560 38.000 0.039 0.000 1.315 125 I HN 0.738 nan 8.210 nan 0.000 0.446 126 W N 5.643 126.918 121.300 -0.041 0.000 2.819 126 W HA 0.457 5.116 4.660 -0.002 0.000 0.337 126 W C -1.005 175.580 176.519 0.110 0.000 1.077 126 W CA -0.753 56.549 57.345 -0.072 0.000 1.226 126 W CB 1.323 30.572 29.460 -0.351 0.000 1.419 126 W HN 0.266 nan 8.180 nan 0.000 0.502 127 Y N 2.606 123.072 120.300 0.277 0.000 2.326 127 Y HA 0.778 5.328 4.550 -0.001 0.000 0.331 127 Y C -0.586 175.441 175.900 0.213 0.000 0.962 127 Y CA -0.902 57.234 58.100 0.059 0.000 1.167 127 Y CB 0.743 39.136 38.460 -0.113 0.000 1.148 127 Y HN 0.552 nan 8.280 nan 0.000 0.463 128 A N 4.862 127.527 122.820 -0.257 0.000 2.587 128 A HA 0.341 4.661 4.320 -0.001 0.000 0.293 128 A C 0.375 177.809 177.584 -0.250 0.000 1.087 128 A CA -0.509 51.488 52.037 -0.066 0.000 0.692 128 A CB 1.476 20.630 19.000 0.257 0.000 1.291 128 A HN 0.834 nan 8.150 nan 0.000 0.407 129 E N 0.523 120.634 120.200 -0.147 0.000 2.085 129 E HA -0.153 4.196 4.350 -0.001 0.000 0.194 129 E C -0.037 176.527 176.600 -0.061 0.000 0.994 129 E CA 1.067 57.386 56.400 -0.135 0.000 0.801 129 E CB -0.014 29.637 29.700 -0.083 0.000 0.743 129 E HN 0.629 nan 8.360 nan 0.000 0.453 130 N N 0.711 119.328 118.700 -0.139 0.000 2.443 130 N HA 0.127 4.866 4.740 -0.001 0.000 0.293 130 N C -0.988 174.108 175.510 -0.690 0.000 1.159 130 N CA -0.332 52.535 53.050 -0.306 0.000 0.904 130 N CB 1.486 39.799 38.487 -0.290 0.000 1.214 130 N HN 0.082 nan 8.380 nan 0.000 0.513 131 Q N 0.060 119.216 119.800 -1.072 0.000 2.271 131 Q HA 0.206 4.545 4.340 -0.001 0.000 0.273 131 Q C 0.513 175.675 176.000 -1.395 0.000 1.051 131 Q CA 0.066 54.976 55.803 -1.488 0.000 0.901 131 Q CB 0.444 28.519 28.738 -1.105 0.000 1.174 131 Q HN 0.628 nan 8.270 nan 0.000 0.385 132 G N 3.761 111.334 108.800 -2.044 0.000 3.286 132 G HA2 0.216 4.176 3.960 -0.001 0.000 0.303 132 G HA3 0.216 4.176 3.960 -0.001 0.000 0.303 132 G C 0.678 175.047 174.900 -0.885 0.000 0.974 132 G CA -0.280 44.138 45.100 -1.137 0.000 1.635 132 G HN 0.669 nan 8.290 nan 0.000 0.535 133 L N -0.231 120.581 121.223 -0.685 0.000 1.989 133 L HA 0.032 4.371 4.340 -0.001 0.000 0.211 133 L C 1.305 178.092 176.870 -0.139 0.000 1.071 133 L CA 1.311 55.938 54.840 -0.356 0.000 0.749 133 L CB 0.085 41.980 42.059 -0.274 0.000 0.890 133 L HN 0.409 nan 8.230 nan 0.000 0.431 134 E N -1.785 118.326 120.200 -0.149 0.000 2.317 134 E HA 0.586 4.935 4.350 -0.001 0.000 0.270 134 E C -0.576 175.981 176.600 -0.072 0.000 0.885 134 E CA 0.019 56.375 56.400 -0.074 0.000 0.760 134 E CB 2.178 31.837 29.700 -0.068 0.000 1.227 134 E HN 0.127 nan 8.360 nan 0.000 0.434 135 G N 2.181 110.962 108.800 -0.032 0.000 2.324 135 G HA2 0.154 4.114 3.960 -0.001 0.000 0.293 135 G HA3 0.154 4.114 3.960 -0.001 0.000 0.293 135 G C -2.613 172.287 174.900 0.001 0.000 1.297 135 G CA -0.531 44.560 45.100 -0.015 0.000 0.853 135 G HN 0.397 nan 8.290 nan 0.000 0.535 136 P HA 0.250 nan 4.420 nan 0.000 0.261 136 P C 0.160 177.449 177.300 -0.020 0.000 1.268 136 P CA 0.147 63.233 63.100 -0.023 0.000 0.833 136 P CB 0.683 32.377 31.700 -0.010 0.000 1.231 137 V N 1.782 121.738 119.914 0.070 0.000 2.270 137 V HA 0.240 4.359 4.120 -0.001 0.000 0.263 137 V C 0.302 176.478 176.094 0.137 0.000 1.066 137 V CA -0.498 61.855 62.300 0.087 0.000 0.857 137 V CB -1.578 30.401 31.823 0.259 0.000 1.099 137 V HN 0.032 nan 8.190 nan 0.000 0.476 138 F N 3.887 123.743 119.950 -0.158 0.000 3.056 138 F HA -0.252 4.274 4.527 -0.001 0.000 0.266 138 F C 1.643 177.443 175.800 0.001 0.000 0.957 138 F CA 1.378 59.292 58.000 -0.143 0.000 0.894 138 F CB -1.275 37.523 39.000 -0.338 0.000 0.832 138 F HN 0.775 nan 8.300 nan 0.000 0.745 139 G N -1.525 107.344 108.800 0.114 0.000 2.278 139 G HA2 -0.103 3.856 3.960 -0.001 0.000 0.210 139 G HA3 -0.103 3.856 3.960 -0.001 0.000 0.210 139 G C 0.245 175.217 174.900 0.120 0.000 1.000 139 G CA 0.174 45.342 45.100 0.114 0.000 0.635 139 G HN 1.276 nan 8.290 nan 0.000 0.495 140 S N -0.207 115.579 115.700 0.144 0.000 2.745 140 S HA 0.874 5.344 4.470 -0.001 0.000 0.306 140 S C 0.372 174.932 174.600 -0.067 0.000 1.137 140 S CA 0.316 58.526 58.200 0.016 0.000 0.900 140 S CB 1.592 64.793 63.200 0.002 0.000 1.176 140 S HN 1.949 nan 8.310 nan 0.000 0.520 141 A N 0.868 123.576 122.820 -0.187 0.000 2.565 141 A HA 0.299 4.619 4.320 -0.001 0.000 0.237 141 A C 0.277 177.887 177.584 0.044 0.000 1.053 141 A CA 0.176 52.146 52.037 -0.113 0.000 0.755 141 A CB -0.634 18.245 19.000 -0.200 0.000 0.980 141 A HN 0.779 nan 8.150 nan 0.000 0.506 142 D N 0.378 120.879 120.400 0.168 0.000 2.398 142 D HA 0.357 4.996 4.640 -0.001 0.000 0.247 142 D C 0.742 177.215 176.300 0.289 0.000 1.227 142 D CA 0.042 54.259 54.000 0.362 0.000 0.980 142 D CB 0.259 41.240 40.800 0.300 0.000 1.106 142 D HN 0.591 nan 8.370 nan 0.000 0.493 143 L N -0.269 121.094 121.223 0.233 0.000 3.597 143 L HA -0.213 4.127 4.340 -0.001 0.000 0.440 143 L C -0.560 176.317 176.870 0.012 0.000 1.277 143 L CA -0.031 54.776 54.840 -0.055 0.000 0.852 143 L CB -1.827 40.150 42.059 -0.137 0.000 1.708 143 L HN 0.437 nan 8.230 nan 0.000 0.885 144 W N -0.402 120.922 121.300 0.039 0.000 2.237 144 W HA 0.574 5.234 4.660 -0.000 0.000 0.335 144 W C 0.464 177.008 176.519 0.042 0.000 1.230 144 W CA -0.928 56.425 57.345 0.014 0.000 1.253 144 W CB 0.303 29.815 29.460 0.086 0.000 1.129 144 W HN 0.126 nan 8.180 nan 0.000 0.590 145 N N 2.052 120.819 118.700 0.112 0.000 2.558 145 N HA 0.511 5.251 4.740 -0.001 0.000 0.233 145 N C 0.102 175.724 175.510 0.188 0.000 1.038 145 N CA 0.751 53.821 53.050 0.033 0.000 0.934 145 N CB 0.644 39.125 38.487 -0.010 0.000 1.175 145 N HN 0.943 nan 8.380 nan 0.000 0.512 146 G N 0.605 109.567 108.800 0.270 0.000 2.384 146 G HA2 0.110 4.069 3.960 -0.001 0.000 0.113 146 G HA3 0.110 4.069 3.960 -0.001 0.000 0.113 146 G C -1.783 173.465 174.900 0.581 0.000 1.224 146 G CA 0.015 45.350 45.100 0.392 0.000 1.126 146 G HN 0.643 nan 8.290 nan 0.000 0.461 147 V N 0.661 120.958 119.914 0.639 0.000 2.841 147 V HA 0.891 5.010 4.120 -0.001 0.000 0.310 147 V C 0.003 176.267 176.094 0.284 0.000 1.090 147 V CA 0.609 63.212 62.300 0.505 0.000 0.930 147 V CB 1.715 33.721 31.823 0.305 0.000 1.014 147 V HN 2.087 nan 8.190 nan 0.000 0.425 148 G N 5.336 114.048 108.800 -0.147 0.000 2.566 148 G HA2 0.695 4.654 3.960 -0.001 0.000 0.311 148 G HA3 0.695 4.654 3.960 -0.001 0.000 0.311 148 G C -1.677 172.592 174.900 -1.052 0.000 1.322 148 G CA -0.580 43.913 45.100 -1.011 0.000 0.969 148 G HN 0.648 nan 8.290 nan 0.000 0.490 149 I N 2.079 122.127 120.570 -0.870 0.000 2.354 149 I HA 0.399 4.568 4.170 -0.001 0.000 0.286 149 I C -1.002 174.711 176.117 -0.674 0.000 1.007 149 I CA -0.538 60.363 61.300 -0.665 0.000 1.167 149 I CB 1.210 39.014 38.000 -0.327 0.000 1.320 149 I HN 0.173 nan 8.210 nan 0.000 0.458 150 F N 6.005 125.552 119.950 -0.673 0.000 2.420 150 F HA 0.463 4.990 4.527 -0.001 0.000 0.342 150 F C -0.209 175.145 175.800 -0.744 0.000 1.113 150 F CA -1.271 56.257 58.000 -0.788 0.000 1.059 150 F CB 0.742 39.247 39.000 -0.825 0.000 1.128 150 F HN 0.174 nan 8.300 nan 0.000 0.475 151 F N 2.269 121.950 119.950 -0.449 0.000 2.309 151 F HA 0.215 4.742 4.527 -0.001 0.000 0.366 151 F C 0.357 176.147 175.800 -0.016 0.000 1.104 151 F CA -0.824 56.868 58.000 -0.512 0.000 1.179 151 F CB 0.351 38.703 39.000 -1.080 0.000 1.437 151 F HN 0.277 nan 8.300 nan 0.000 0.528 152 D N 1.463 122.104 120.400 0.401 0.000 2.412 152 D HA 0.120 4.759 4.640 -0.001 0.000 0.224 152 D C 0.877 177.540 176.300 0.605 0.000 1.093 152 D CA 0.044 54.366 54.000 0.538 0.000 0.850 152 D CB 1.363 42.422 40.800 0.431 0.000 1.046 152 D HN 0.459 nan 8.370 nan 0.000 0.507 153 S N 3.169 119.244 115.700 0.625 0.000 2.503 153 S HA 0.088 4.557 4.470 -0.001 0.000 0.217 153 S C 0.562 175.345 174.600 0.306 0.000 0.999 153 S CA -0.361 58.043 58.200 0.340 0.000 0.914 153 S CB 0.066 63.450 63.200 0.307 0.000 0.782 153 S HN 0.334 nan 8.310 nan 0.000 0.520 154 F N 3.169 123.244 119.950 0.208 0.000 2.411 154 F HA 0.494 5.021 4.527 -0.000 0.000 0.352 154 F C -0.480 175.371 175.800 0.086 0.000 1.123 154 F CA -1.534 56.538 58.000 0.121 0.000 1.044 154 F CB 1.374 40.435 39.000 0.101 0.000 1.135 154 F HN -0.070 nan 8.300 nan 0.000 0.461 155 D N 4.618 124.618 120.400 -0.667 0.000 2.470 155 D HA 0.089 4.728 4.640 -0.001 0.000 0.226 155 D C 0.556 176.524 176.300 -0.553 0.000 1.196 155 D CA 0.346 54.083 54.000 -0.438 0.000 0.979 155 D CB -0.021 40.580 40.800 -0.331 0.000 1.059 155 D HN 0.638 nan 8.370 nan 0.000 0.515 156 N N 1.196 119.719 118.700 -0.296 0.000 2.270 156 N HA -0.108 4.631 4.740 -0.001 0.000 0.181 156 N C 0.748 176.189 175.510 -0.115 0.000 1.016 156 N CA 0.909 53.856 53.050 -0.171 0.000 0.870 156 N CB 0.291 38.710 38.487 -0.114 0.000 0.979 156 N HN 0.411 nan 8.380 nan 0.000 0.431 157 D N -1.048 119.292 120.400 -0.100 0.000 2.340 157 D HA 0.150 4.789 4.640 -0.001 0.000 0.217 157 D C 0.985 177.248 176.300 -0.062 0.000 1.081 157 D CA 0.013 53.978 54.000 -0.059 0.000 0.842 157 D CB -0.459 40.321 40.800 -0.034 0.000 0.934 157 D HN 0.122 nan 8.370 nan 0.000 0.511 158 G N 1.274 110.013 108.800 -0.101 0.000 2.225 158 G HA2 -0.365 3.594 3.960 -0.001 0.000 0.267 158 G HA3 -0.365 3.594 3.960 -0.001 0.000 0.267 158 G C 0.877 175.744 174.900 -0.056 0.000 1.024 158 G CA 0.439 45.486 45.100 -0.087 0.000 0.784 158 G HN 0.420 nan 8.290 nan 0.000 0.507 159 K N 0.187 120.558 120.400 -0.049 0.000 2.444 159 K HA 0.067 4.387 4.320 -0.001 0.000 0.193 159 K C 1.093 177.680 176.600 -0.021 0.000 1.024 159 K CA 0.402 56.674 56.287 -0.025 0.000 1.077 159 K CB 0.036 32.530 32.500 -0.011 0.000 0.833 159 K HN 0.431 nan 8.250 nan 0.000 0.517 160 K N 1.051 121.430 120.400 -0.036 0.000 3.129 160 K HA -0.136 4.183 4.320 -0.001 0.000 0.273 160 K C -0.413 176.180 176.600 -0.012 0.000 1.123 160 K CA 0.978 57.248 56.287 -0.028 0.000 0.800 160 K CB -2.169 30.322 32.500 -0.016 0.000 1.238 160 K HN 0.427 nan 8.250 nan 0.000 0.492 161 N N 0.451 119.146 118.700 -0.009 0.000 2.610 161 N HA 0.203 4.942 4.740 -0.001 0.000 0.307 161 N C -0.861 174.669 175.510 0.032 0.000 1.813 161 N CA -0.579 52.481 53.050 0.016 0.000 0.901 161 N CB 0.348 38.849 38.487 0.023 0.000 1.354 161 N HN 0.111 nan 8.380 nan 0.000 0.491 162 N N -0.110 118.602 118.700 0.020 0.000 2.416 162 N HA 0.564 5.303 4.740 -0.001 0.000 0.276 162 N C -2.920 172.590 175.510 0.000 0.000 1.261 162 N CA -1.206 51.867 53.050 0.037 0.000 0.790 162 N CB 1.317 39.818 38.487 0.023 0.000 1.554 162 N HN -0.001 nan 8.380 nan 0.000 0.481 163 P HA 0.336 nan 4.420 nan 0.000 0.266 163 P C -1.341 176.055 177.300 0.160 0.000 1.195 163 P CA -0.177 62.906 63.100 -0.028 0.000 0.768 163 P CB 0.570 31.938 31.700 -0.552 0.000 0.838 164 A N 2.592 125.607 122.820 0.324 0.000 2.515 164 A HA 0.786 5.105 4.320 -0.001 0.000 0.296 164 A C -1.105 176.621 177.584 0.237 0.000 1.094 164 A CA -0.693 51.492 52.037 0.246 0.000 0.718 164 A CB 1.132 20.221 19.000 0.148 0.000 1.307 164 A HN 0.449 nan 8.150 nan 0.000 0.408 165 I N 1.151 121.737 120.570 0.026 0.000 2.410 165 I HA 0.520 4.689 4.170 -0.001 0.000 0.286 165 I C -0.784 175.188 176.117 -0.241 0.000 1.009 165 I CA -0.875 60.254 61.300 -0.284 0.000 1.111 165 I CB 1.815 39.522 38.000 -0.489 0.000 1.262 165 I HN 0.397 nan 8.210 nan 0.000 0.443 166 V N 8.033 127.793 119.914 -0.256 0.000 2.531 166 V HA 0.557 4.676 4.120 -0.001 0.000 0.301 166 V C -0.549 175.388 176.094 -0.262 0.000 1.034 166 V CA -0.397 61.814 62.300 -0.147 0.000 0.865 166 V CB 1.899 33.742 31.823 0.034 0.000 0.995 166 V HN 0.561 nan 8.190 nan 0.000 0.424 167 I N 7.771 128.222 120.570 -0.198 0.000 2.325 167 I HA 0.459 4.628 4.170 -0.001 0.000 0.291 167 I C -0.354 175.699 176.117 -0.107 0.000 1.019 167 I CA -0.108 61.070 61.300 -0.204 0.000 1.302 167 I CB 1.159 39.089 38.000 -0.116 0.000 1.401 167 I HN 0.470 nan 8.210 nan 0.000 0.485 168 I N 5.945 126.433 120.570 -0.136 0.000 2.468 168 I HA 0.358 4.528 4.170 -0.001 0.000 0.284 168 I C 0.537 176.816 176.117 0.270 0.000 1.038 168 I CA -0.443 60.911 61.300 0.090 0.000 1.083 168 I CB 1.713 39.832 38.000 0.199 0.000 1.223 168 I HN 0.597 nan 8.210 nan 0.000 0.443 169 G N 4.094 113.012 108.800 0.198 0.000 2.476 169 G HA2 0.383 4.343 3.960 -0.001 0.000 0.269 169 G HA3 0.383 4.343 3.960 -0.001 0.000 0.269 169 G C -0.729 174.200 174.900 0.049 0.000 1.195 169 G CA -0.178 45.039 45.100 0.194 0.000 0.843 169 G HN 0.545 nan 8.290 nan 0.000 0.545 170 N N -0.669 117.965 118.700 -0.111 0.000 2.405 170 N HA 0.152 4.892 4.740 -0.001 0.000 0.274 170 N C -0.372 174.965 175.510 -0.289 0.000 1.170 170 N CA -0.704 52.064 53.050 -0.470 0.000 0.848 170 N CB 1.924 39.512 38.487 -1.498 0.000 1.629 170 N HN 0.461 nan 8.380 nan 0.000 0.481 171 N N 0.784 119.339 118.700 -0.243 0.000 2.234 171 N HA 0.254 4.993 4.740 -0.001 0.000 0.227 171 N C 0.788 176.209 175.510 -0.148 0.000 1.151 171 N CA 0.321 53.286 53.050 -0.141 0.000 0.865 171 N CB 0.399 38.836 38.487 -0.084 0.000 1.066 171 N HN 0.766 nan 8.380 nan 0.000 0.515 172 G N -0.242 108.424 108.800 -0.224 0.000 2.157 172 G HA2 -0.282 3.677 3.960 -0.001 0.000 0.239 172 G HA3 -0.282 3.677 3.960 -0.001 0.000 0.239 172 G C 0.532 175.325 174.900 -0.178 0.000 0.982 172 G CA 0.424 45.419 45.100 -0.175 0.000 0.650 172 G HN 0.442 nan 8.290 nan 0.000 0.527 173 Q N -1.059 118.620 119.800 -0.202 0.000 2.210 173 Q HA 0.373 4.712 4.340 -0.001 0.000 0.252 173 Q C 0.682 176.561 176.000 -0.202 0.000 0.811 173 Q CA 0.101 55.803 55.803 -0.168 0.000 0.953 173 Q CB 1.265 29.943 28.738 -0.100 0.000 1.136 173 Q HN 0.600 nan 8.270 nan 0.000 0.491 174 I N 1.788 122.223 120.570 -0.225 0.000 2.353 174 I HA 0.164 4.334 4.170 -0.001 0.000 0.293 174 I C 0.062 176.089 176.117 -0.151 0.000 0.992 174 I CA -0.622 60.595 61.300 -0.138 0.000 1.268 174 I CB 1.026 38.967 38.000 -0.099 0.000 1.387 174 I HN 0.034 nan 8.210 nan 0.000 0.478 175 H N 4.922 124.030 119.070 0.065 0.000 2.610 175 H HA 0.054 4.609 4.556 -0.001 0.000 0.336 175 H C -0.672 174.821 175.328 0.274 0.000 1.087 175 H CA -0.432 55.715 56.048 0.165 0.000 1.405 175 H CB 0.843 30.681 29.762 0.127 0.000 1.460 175 H HN 0.474 nan 8.280 nan 0.000 0.538 176 Y N 2.570 123.137 120.300 0.445 0.000 2.721 176 Y HA -0.130 4.419 4.550 -0.001 0.000 0.329 176 Y C 0.123 176.259 175.900 0.393 0.000 1.211 176 Y CA -0.239 58.176 58.100 0.525 0.000 1.512 176 Y CB 0.049 38.908 38.460 0.666 0.000 1.249 176 Y HN 0.540 nan 8.280 nan 0.000 0.549 177 D N 4.577 124.821 120.400 -0.261 0.000 2.393 177 D HA 0.064 4.704 4.640 -0.001 0.000 0.232 177 D C 0.608 176.466 176.300 -0.736 0.000 1.192 177 D CA 0.107 53.909 54.000 -0.330 0.000 0.882 177 D CB 0.204 40.944 40.800 -0.101 0.000 1.038 177 D HN 0.746 nan 8.370 nan 0.000 0.499 178 H N 2.571 121.273 119.070 -0.614 0.000 2.436 178 H HA 0.041 4.596 4.556 -0.002 0.000 0.294 178 H C 1.231 176.505 175.328 -0.090 0.000 1.048 178 H CA 1.389 57.223 56.048 -0.356 0.000 1.353 178 H CB 0.568 30.301 29.762 -0.048 0.000 1.414 178 H HN 0.347 nan 8.280 nan 0.000 0.536 179 Q N -0.109 119.624 119.800 -0.112 0.000 2.331 179 Q HA 0.042 4.382 4.340 -0.001 0.000 0.203 179 Q C 0.575 176.528 176.000 -0.079 0.000 0.944 179 Q CA 0.534 56.284 55.803 -0.089 0.000 0.892 179 Q CB 0.274 29.015 28.738 0.005 0.000 0.983 179 Q HN 0.447 nan 8.270 nan 0.000 0.482 180 N N 1.279 119.935 118.700 -0.072 0.000 2.273 180 N HA 0.011 4.750 4.740 -0.001 0.000 0.231 180 N C -0.769 174.743 175.510 0.004 0.000 1.134 180 N CA 0.023 53.055 53.050 -0.030 0.000 0.856 180 N CB 0.573 39.055 38.487 -0.008 0.000 1.068 180 N HN 0.010 nan 8.380 nan 0.000 0.510 181 D N 0.099 120.499 120.400 0.001 0.000 2.792 181 D HA -0.198 4.441 4.640 -0.001 0.000 0.231 181 D C 1.078 177.536 176.300 0.264 0.000 1.160 181 D CA 1.349 55.449 54.000 0.166 0.000 0.697 181 D CB -1.302 39.590 40.800 0.152 0.000 1.070 181 D HN 0.526 nan 8.370 nan 0.000 0.426 182 G N -0.932 107.968 108.800 0.167 0.000 2.168 182 G HA2 -0.342 3.617 3.960 -0.001 0.000 0.263 182 G HA3 -0.342 3.617 3.960 -0.001 0.000 0.263 182 G C 1.322 176.335 174.900 0.188 0.000 0.977 182 G CA 1.038 46.305 45.100 0.279 0.000 0.659 182 G HN 1.040 nan 8.290 nan 0.000 0.533 183 A N 0.498 123.391 122.820 0.121 0.000 2.076 183 A HA 0.160 4.479 4.320 -0.001 0.000 0.220 183 A C 2.528 180.156 177.584 0.075 0.000 1.160 183 A CA 2.632 54.722 52.037 0.088 0.000 0.653 183 A CB -0.555 18.482 19.000 0.061 0.000 0.801 183 A HN 1.745 nan 8.150 nan 0.000 0.455 184 S N -2.045 113.698 115.700 0.072 0.000 2.593 184 S HA 0.122 4.591 4.470 -0.001 0.000 0.217 184 S C 1.128 175.775 174.600 0.079 0.000 0.966 184 S CA 0.669 58.907 58.200 0.063 0.000 0.914 184 S CB 0.085 63.315 63.200 0.049 0.000 0.776 184 S HN 0.678 nan 8.310 nan 0.000 0.523 185 Q N -0.018 119.849 119.800 0.111 0.000 2.081 185 Q HA 0.460 4.799 4.340 -0.001 0.000 0.220 185 Q C 0.146 176.225 176.000 0.131 0.000 0.775 185 Q CA 0.029 55.908 55.803 0.128 0.000 0.983 185 Q CB 1.098 29.950 28.738 0.190 0.000 1.188 185 Q HN 0.557 nan 8.270 nan 0.000 0.458 186 A N 0.948 123.841 122.820 0.122 0.000 2.488 186 A HA 0.178 4.498 4.320 -0.001 0.000 0.249 186 A C 0.752 178.376 177.584 0.067 0.000 1.083 186 A CA 0.078 52.173 52.037 0.097 0.000 0.768 186 A CB 0.209 19.262 19.000 0.087 0.000 1.017 186 A HN 0.390 nan 8.150 nan 0.000 0.496 187 L N 1.179 122.433 121.223 0.051 0.000 2.249 187 L HA 0.293 4.632 4.340 -0.001 0.000 0.207 187 L C 1.135 178.024 176.870 0.031 0.000 1.090 187 L CA 1.157 56.023 54.840 0.043 0.000 0.802 187 L CB -0.248 41.838 42.059 0.045 0.000 0.947 187 L HN 0.838 nan 8.230 nan 0.000 0.453 188 A N -0.845 121.982 122.820 0.012 0.000 2.608 188 A HA 0.670 4.989 4.320 -0.001 0.000 0.292 188 A C -0.938 176.629 177.584 -0.029 0.000 1.066 188 A CA -0.137 51.900 52.037 -0.000 0.000 0.676 188 A CB 1.538 20.535 19.000 -0.006 0.000 1.277 188 A HN 0.028 nan 8.150 nan 0.000 0.413 189 S N -0.988 114.695 115.700 -0.028 0.000 2.565 189 S HA 0.812 5.281 4.470 -0.001 0.000 0.269 189 S C -0.449 174.126 174.600 -0.042 0.000 1.153 189 S CA -0.224 57.950 58.200 -0.044 0.000 0.835 189 S CB 0.834 64.033 63.200 -0.001 0.000 1.122 189 S HN 2.549 nan 8.310 nan 0.000 0.462 190 c N 0.402 118.973 118.600 -0.048 0.000 3.171 190 c HA 0.787 5.357 4.570 -0.001 0.000 0.308 190 c C -1.353 172.759 174.090 0.037 0.000 1.334 190 c CA -0.640 55.682 56.329 -0.013 0.000 1.473 190 c CB 1.335 43.813 42.510 -0.052 0.000 1.866 190 c HN 0.900 nan 8.230 nan 0.000 0.465 191 Q N 1.958 121.795 119.800 0.062 0.000 2.331 191 Q HA 0.580 4.919 4.340 -0.001 0.000 0.257 191 Q C -0.723 175.351 176.000 0.123 0.000 0.957 191 Q CA 0.082 55.940 55.803 0.091 0.000 0.923 191 Q CB 1.423 30.205 28.738 0.073 0.000 1.212 191 Q HN 0.591 nan 8.270 nan 0.000 0.443 192 R N 1.790 122.401 120.500 0.186 0.000 2.533 192 R HA 0.181 4.520 4.340 -0.001 0.000 0.288 192 R C -1.187 175.249 176.300 0.225 0.000 1.039 192 R CA -0.873 55.367 56.100 0.233 0.000 0.909 192 R CB 1.215 31.711 30.300 0.326 0.000 1.195 192 R HN 0.503 nan 8.270 nan 0.000 0.438 193 D N 3.557 124.027 120.400 0.117 0.000 2.435 193 D HA 0.030 4.670 4.640 -0.001 0.000 0.230 193 D C 0.545 176.841 176.300 -0.008 0.000 1.215 193 D CA -0.328 53.654 54.000 -0.031 0.000 0.947 193 D CB -0.053 40.745 40.800 -0.004 0.000 1.048 193 D HN 0.465 nan 8.370 nan 0.000 0.512 194 F N 1.157 121.191 119.950 0.140 0.000 2.676 194 F HA 0.385 4.911 4.527 -0.002 0.000 0.300 194 F C 0.449 176.302 175.800 0.089 0.000 1.160 194 F CA -0.848 57.226 58.000 0.124 0.000 1.401 194 F CB -0.149 39.045 39.000 0.325 0.000 1.037 194 F HN -0.112 nan 8.300 nan 0.000 0.522 195 R N 1.057 121.483 120.500 -0.124 0.000 2.532 195 R HA 0.282 4.621 4.340 -0.001 0.000 0.295 195 R C -0.098 176.162 176.300 -0.066 0.000 0.968 195 R CA -0.907 55.156 56.100 -0.063 0.000 0.916 195 R CB 0.729 30.941 30.300 -0.147 0.000 1.124 195 R HN 0.135 nan 8.270 nan 0.000 0.463 196 N N 1.825 120.498 118.700 -0.044 0.000 2.725 196 N HA -0.170 4.569 4.740 -0.001 0.000 0.251 196 N C -1.123 174.316 175.510 -0.118 0.000 1.031 196 N CA 1.144 54.153 53.050 -0.068 0.000 0.720 196 N CB -0.577 37.878 38.487 -0.053 0.000 0.930 196 N HN 0.465 nan 8.380 nan 0.000 0.543 197 K N -0.119 120.186 120.400 -0.159 0.000 2.110 197 K HA 0.302 4.622 4.320 -0.001 0.000 0.263 197 K C -1.258 175.200 176.600 -0.236 0.000 0.975 197 K CA -1.605 54.520 56.287 -0.269 0.000 0.895 197 K CB 1.073 33.357 32.500 -0.361 0.000 1.060 197 K HN -0.151 nan 8.250 nan 0.000 0.448 198 P HA -0.133 nan 4.420 nan 0.000 0.216 198 P C -0.437 176.538 177.300 -0.542 0.000 1.150 198 P CA 1.541 64.430 63.100 -0.351 0.000 0.843 198 P CB 0.108 31.652 31.700 -0.259 0.000 0.787 199 Y N -3.037 117.178 120.300 -0.141 0.000 2.562 199 Y HA 0.444 4.994 4.550 -0.000 0.000 0.343 199 Y C -2.205 173.593 175.900 -0.170 0.000 1.025 199 Y CA -3.254 54.771 58.100 -0.125 0.000 1.082 199 Y CB 0.279 38.678 38.460 -0.102 0.000 1.264 199 Y HN -0.331 nan 8.280 nan 0.000 0.478 200 P HA -0.037 nan 4.420 nan 0.000 0.261 200 P C -0.687 176.480 177.300 -0.221 0.000 1.173 200 P CA 0.206 63.239 63.100 -0.112 0.000 0.760 200 P CB 0.340 32.000 31.700 -0.067 0.000 0.783 201 V N 5.767 125.423 119.914 -0.431 0.000 2.649 201 V HA 0.239 4.358 4.120 -0.001 0.000 0.292 201 V C 0.923 176.620 176.094 -0.662 0.000 1.055 201 V CA 0.049 62.004 62.300 -0.576 0.000 1.023 201 V CB 0.538 31.880 31.823 -0.802 0.000 0.992 201 V HN 0.491 nan 8.190 nan 0.000 0.480 202 R N 2.534 122.827 120.500 -0.345 0.000 2.670 202 R HA 0.819 5.158 4.340 -0.001 0.000 0.289 202 R C -0.870 175.523 176.300 0.154 0.000 0.965 202 R CA -0.633 55.408 56.100 -0.098 0.000 0.899 202 R CB 2.126 32.403 30.300 -0.037 0.000 1.173 202 R HN 0.765 nan 8.270 nan 0.000 0.456 203 A N 2.221 125.186 122.820 0.241 0.000 2.330 203 A HA 0.427 4.746 4.320 -0.001 0.000 0.313 203 A C -0.869 176.790 177.584 0.126 0.000 1.124 203 A CA -0.691 51.513 52.037 0.278 0.000 0.774 203 A CB 1.068 20.282 19.000 0.356 0.000 1.198 203 A HN 0.636 nan 8.150 nan 0.000 0.465 204 K N 3.208 123.594 120.400 -0.022 0.000 2.389 204 K HA 0.600 4.919 4.320 -0.001 0.000 0.261 204 K C -1.450 175.095 176.600 -0.092 0.000 1.014 204 K CA -0.222 55.940 56.287 -0.209 0.000 0.920 204 K CB 0.521 32.608 32.500 -0.688 0.000 1.149 204 K HN 0.698 nan 8.250 nan 0.000 0.444 205 I N 3.303 123.880 120.570 0.011 0.000 2.362 205 I HA 0.213 4.382 4.170 -0.001 0.000 0.289 205 I C -0.394 175.800 176.117 0.128 0.000 0.994 205 I CA -0.563 60.795 61.300 0.097 0.000 1.158 205 I CB 2.085 40.215 38.000 0.216 0.000 1.315 205 I HN 0.433 nan 8.210 nan 0.000 0.451 206 T N 5.295 119.836 114.554 -0.023 0.000 2.786 206 T HA 0.283 4.632 4.350 -0.001 0.000 0.283 206 T C -0.982 173.541 174.700 -0.296 0.000 0.992 206 T CA -0.394 61.629 62.100 -0.129 0.000 0.954 206 T CB 0.692 69.485 68.868 -0.126 0.000 0.934 206 T HN 0.288 nan 8.240 nan 0.000 0.440 207 Y N 4.418 124.206 120.300 -0.854 0.000 2.491 207 Y HA 0.556 5.105 4.550 -0.001 0.000 0.334 207 Y C -1.443 174.189 175.900 -0.448 0.000 0.969 207 Y CA -1.247 56.330 58.100 -0.871 0.000 1.241 207 Y CB 0.338 37.824 38.460 -1.624 0.000 1.105 207 Y HN 0.664 nan 8.280 nan 0.000 0.503 208 Y N 4.919 124.776 120.300 -0.739 0.000 2.386 208 Y HA 0.268 4.818 4.550 -0.001 0.000 0.334 208 Y C -0.199 175.407 175.900 -0.489 0.000 1.002 208 Y CA -1.350 56.451 58.100 -0.499 0.000 1.068 208 Y CB 1.235 39.524 38.460 -0.286 0.000 1.203 208 Y HN 0.727 nan 8.280 nan 0.000 0.443 209 Q N 4.873 124.169 119.800 -0.839 0.000 2.434 209 Q HA -0.380 3.960 4.340 -0.001 0.000 0.299 209 Q C 0.036 175.745 176.000 -0.485 0.000 1.286 209 Q CA 1.299 56.716 55.803 -0.643 0.000 0.872 209 Q CB -1.449 26.891 28.738 -0.664 0.000 1.193 209 Q HN 1.005 nan 8.270 nan 0.000 0.466 210 N N -3.458 114.848 118.700 -0.657 0.000 2.965 210 N HA -0.152 4.587 4.740 -0.001 0.000 0.232 210 N C -0.893 174.384 175.510 -0.388 0.000 0.913 210 N CA 1.462 54.222 53.050 -0.484 0.000 0.981 210 N CB -0.822 37.563 38.487 -0.170 0.000 1.077 210 N HN 0.347 nan 8.380 nan 0.000 0.589 211 T N 1.001 115.283 114.554 -0.453 0.000 2.749 211 T HA 0.529 4.878 4.350 -0.001 0.000 0.287 211 T C -0.299 174.272 174.700 -0.215 0.000 0.970 211 T CA -0.496 61.470 62.100 -0.224 0.000 0.980 211 T CB 1.717 70.499 68.868 -0.142 0.000 0.924 211 T HN 0.172 nan 8.240 nan 0.000 0.456 212 L N 4.242 125.448 121.223 -0.028 0.000 2.264 212 L HA 0.560 4.899 4.340 -0.001 0.000 0.289 212 L C -0.224 176.650 176.870 0.006 0.000 1.044 212 L CA 0.230 55.085 54.840 0.024 0.000 0.807 212 L CB 1.075 43.210 42.059 0.126 0.000 1.192 212 L HN 0.585 nan 8.230 nan 0.000 0.425 213 T N 4.208 118.752 114.554 -0.017 0.000 2.841 213 T HA 0.587 4.936 4.350 -0.001 0.000 0.283 213 T C -0.877 173.796 174.700 -0.045 0.000 1.000 213 T CA -0.439 61.661 62.100 -0.001 0.000 0.977 213 T CB 1.721 70.609 68.868 0.035 0.000 0.979 213 T HN 0.274 nan 8.240 nan 0.000 0.446 214 V N 5.073 124.921 119.914 -0.109 0.000 2.384 214 V HA 0.555 4.675 4.120 -0.001 0.000 0.287 214 V C -0.307 175.691 176.094 -0.161 0.000 1.020 214 V CA -0.718 61.510 62.300 -0.120 0.000 0.850 214 V CB 1.403 33.135 31.823 -0.153 0.000 0.987 214 V HN 0.782 nan 8.190 nan 0.000 0.436 215 M N 5.818 125.363 119.600 -0.091 0.000 2.535 215 M HA 0.634 5.113 4.480 -0.001 0.000 0.314 215 M C -1.172 175.207 176.300 0.132 0.000 1.153 215 M CA -0.565 54.721 55.300 -0.024 0.000 0.924 215 M CB 2.358 34.899 32.600 -0.098 0.000 1.710 215 M HN 0.301 nan 8.290 nan 0.000 0.451 216 I N 2.574 123.291 120.570 0.245 0.000 2.447 216 I HA 0.273 4.442 4.170 -0.001 0.000 0.287 216 I C -0.304 175.980 176.117 0.278 0.000 1.023 216 I CA -0.597 60.880 61.300 0.295 0.000 1.083 216 I CB 1.614 39.746 38.000 0.220 0.000 1.245 216 I HN 0.627 nan 8.210 nan 0.000 0.434 217 N N 5.201 124.001 118.700 0.167 0.000 2.420 217 N HA 0.114 4.853 4.740 -0.001 0.000 0.249 217 N C 0.476 175.951 175.510 -0.059 0.000 1.033 217 N CA 0.297 53.277 53.050 -0.117 0.000 0.944 217 N CB 0.401 38.587 38.487 -0.502 0.000 1.113 217 N HN 0.569 nan 8.380 nan 0.000 0.502 218 N N 2.357 121.070 118.700 0.022 0.000 2.449 218 N HA 0.020 4.760 4.740 -0.001 0.000 0.191 218 N C 0.531 175.958 175.510 -0.137 0.000 1.161 218 N CA 0.368 53.440 53.050 0.036 0.000 0.863 218 N CB -0.031 38.583 38.487 0.212 0.000 0.980 218 N HN 0.790 nan 8.380 nan 0.000 0.458 219 G N 0.235 108.956 108.800 -0.132 0.000 2.160 219 G HA2 -0.270 3.689 3.960 -0.001 0.000 0.251 219 G HA3 -0.270 3.689 3.960 -0.001 0.000 0.251 219 G C 0.252 175.082 174.900 -0.117 0.000 1.008 219 G CA -0.014 44.993 45.100 -0.155 0.000 0.724 219 G HN 0.388 nan 8.290 nan 0.000 0.514 220 F N 1.034 121.032 119.950 0.079 0.000 2.754 220 F HA 0.316 4.842 4.527 -0.001 0.000 0.297 220 F C 1.756 177.633 175.800 0.130 0.000 1.122 220 F CA 1.192 59.270 58.000 0.129 0.000 1.400 220 F CB 0.641 39.674 39.000 0.055 0.000 1.117 220 F HN 0.418 nan 8.300 nan 0.000 0.587 221 T N -3.657 110.929 114.554 0.052 0.000 2.896 221 T HA 0.352 4.701 4.350 -0.001 0.000 0.297 221 T C -2.333 171.859 174.700 -0.846 0.000 1.108 221 T CA -1.882 60.014 62.100 -0.340 0.000 1.004 221 T CB 2.317 71.082 68.868 -0.172 0.000 1.159 221 T HN -0.284 nan 8.240 nan 0.000 0.499 222 P HA 0.130 nan 4.420 nan 0.000 0.245 222 P C -0.039 177.035 177.300 -0.377 0.000 1.212 222 P CA 0.224 62.836 63.100 -0.813 0.000 0.774 222 P CB -0.149 31.190 31.700 -0.601 0.000 0.999 223 D N 1.824 122.040 120.400 -0.306 0.000 2.342 223 D HA -0.013 4.626 4.640 -0.001 0.000 0.260 223 D C 1.282 177.446 176.300 -0.227 0.000 1.278 223 D CA -0.082 53.794 54.000 -0.208 0.000 0.910 223 D CB 0.742 41.448 40.800 -0.157 0.000 1.079 223 D HN 0.102 nan 8.370 nan 0.000 0.496 224 K N 2.232 122.508 120.400 -0.206 0.000 2.555 224 K HA 0.013 4.332 4.320 -0.001 0.000 0.193 224 K C 0.381 176.770 176.600 -0.353 0.000 1.032 224 K CA 0.546 56.684 56.287 -0.249 0.000 1.004 224 K CB 0.180 32.590 32.500 -0.150 0.000 0.804 224 K HN 0.109 nan 8.250 nan 0.000 0.496 225 N N 1.221 119.769 118.700 -0.253 0.000 2.204 225 N HA -0.033 4.707 4.740 -0.001 0.000 0.219 225 N C -0.680 174.736 175.510 -0.157 0.000 1.151 225 N CA 0.120 53.068 53.050 -0.172 0.000 0.867 225 N CB 0.585 39.052 38.487 -0.033 0.000 1.043 225 N HN 0.222 nan 8.380 nan 0.000 0.516 226 D N 0.678 120.930 120.400 -0.247 0.000 2.713 226 D HA -0.004 4.635 4.640 -0.001 0.000 0.229 226 D C -0.689 175.527 176.300 -0.140 0.000 1.136 226 D CA -0.246 53.672 54.000 -0.137 0.000 1.010 226 D CB -0.614 40.118 40.800 -0.114 0.000 1.084 226 D HN 0.026 nan 8.370 nan 0.000 0.495 227 Y N 0.818 121.124 120.300 0.009 0.000 2.304 227 Y HA 0.322 4.871 4.550 -0.001 0.000 0.328 227 Y C 1.008 176.939 175.900 0.052 0.000 1.123 227 Y CA -0.263 57.853 58.100 0.026 0.000 1.218 227 Y CB 0.966 39.436 38.460 0.016 0.000 1.207 227 Y HN 0.104 nan 8.280 nan 0.000 0.495 228 E N 2.138 122.490 120.200 0.253 0.000 2.227 228 E HA 0.253 4.602 4.350 -0.001 0.000 0.268 228 E C -1.325 175.405 176.600 0.216 0.000 0.907 228 E CA -1.135 55.389 56.400 0.206 0.000 0.786 228 E CB 1.537 31.334 29.700 0.162 0.000 1.191 228 E HN 0.463 nan 8.360 nan 0.000 0.411 229 F N 2.159 122.153 119.950 0.074 0.000 2.608 229 F HA -0.025 4.502 4.527 -0.001 0.000 0.380 229 F C 0.690 176.524 175.800 0.057 0.000 1.083 229 F CA 0.161 58.190 58.000 0.049 0.000 1.266 229 F CB 0.578 39.594 39.000 0.027 0.000 1.076 229 F HN 0.526 nan 8.300 nan 0.000 0.574 230 c N 5.054 123.176 118.600 -0.797 0.000 2.463 230 c HA 0.856 5.425 4.570 -0.001 0.000 0.322 230 c C 0.449 173.916 174.090 -1.037 0.000 1.556 230 c CA 0.692 56.649 56.329 -0.621 0.000 2.225 230 c CB -0.496 41.831 42.510 -0.305 0.000 1.995 230 c HN 1.070 nan 8.230 nan 0.000 0.678 231 A N 0.432 122.565 122.820 -1.145 0.000 2.610 231 A HA 0.739 5.058 4.320 -0.001 0.000 0.291 231 A C -1.479 175.922 177.584 -0.306 0.000 1.086 231 A CA -0.409 51.261 52.037 -0.611 0.000 0.677 231 A CB 1.040 19.874 19.000 -0.276 0.000 1.278 231 A HN 0.517 nan 8.150 nan 0.000 0.414 232 K N 0.603 121.023 120.400 0.034 0.000 2.523 232 K HA 0.652 4.971 4.320 -0.001 0.000 0.257 232 K C -2.159 174.494 176.600 0.087 0.000 0.932 232 K CA -0.459 55.916 56.287 0.147 0.000 0.812 232 K CB 2.367 35.084 32.500 0.361 0.000 1.326 232 K HN 0.595 nan 8.250 nan 0.000 0.433 233 V N 3.605 123.555 119.914 0.060 0.000 2.447 233 V HA 0.266 4.385 4.120 -0.001 0.000 0.292 233 V C -0.595 175.523 176.094 0.040 0.000 1.021 233 V CA -0.862 61.469 62.300 0.052 0.000 0.850 233 V CB 1.464 33.321 31.823 0.056 0.000 1.005 233 V HN 0.771 nan 8.190 nan 0.000 0.426 234 E N 3.835 124.052 120.200 0.029 0.000 2.343 234 E HA 0.301 4.651 4.350 -0.001 0.000 0.269 234 E C -0.071 176.534 176.600 0.009 0.000 1.047 234 E CA -0.391 56.011 56.400 0.003 0.000 0.874 234 E CB 0.427 30.127 29.700 -0.001 0.000 1.033 234 E HN 0.673 nan 8.360 nan 0.000 0.409 235 N N 1.491 120.184 118.700 -0.012 0.000 2.714 235 N HA -0.226 4.513 4.740 -0.001 0.000 0.253 235 N C -0.671 174.870 175.510 0.052 0.000 1.024 235 N CA 0.841 53.894 53.050 0.005 0.000 0.726 235 N CB -1.155 37.335 38.487 0.004 0.000 0.908 235 N HN 0.551 nan 8.380 nan 0.000 0.542 236 M N 0.498 120.156 119.600 0.097 0.000 2.233 236 M HA 0.454 4.933 4.480 -0.001 0.000 0.355 236 M C -0.326 176.101 176.300 0.212 0.000 1.191 236 M CA -0.223 55.171 55.300 0.157 0.000 1.101 236 M CB 0.810 33.532 32.600 0.203 0.000 1.592 236 M HN 0.170 nan 8.290 nan 0.000 0.461 237 I N 6.488 127.143 120.570 0.143 0.000 2.404 237 I HA 0.470 4.639 4.170 -0.001 0.000 0.293 237 I C -0.939 175.237 176.117 0.099 0.000 0.992 237 I CA -0.814 60.560 61.300 0.123 0.000 1.149 237 I CB 1.471 39.522 38.000 0.086 0.000 1.315 237 I HN 0.730 nan 8.210 nan 0.000 0.446 238 I N 4.963 125.574 120.570 0.069 0.000 2.994 238 I HA 0.641 4.810 4.170 -0.001 0.000 0.306 238 I C -2.664 173.537 176.117 0.140 0.000 1.195 238 I CA -2.247 59.120 61.300 0.112 0.000 1.001 238 I CB 0.997 39.059 38.000 0.102 0.000 1.244 238 I HN 0.215 nan 8.210 nan 0.000 0.437 239 P HA 0.104 nan 4.420 nan 0.000 0.268 239 P C 0.493 177.897 177.300 0.173 0.000 1.208 239 P CA -0.162 63.011 63.100 0.121 0.000 0.777 239 P CB 0.798 32.515 31.700 0.028 0.000 0.875 240 A N 2.261 125.139 122.820 0.097 0.000 2.067 240 A HA -0.118 4.201 4.320 -0.001 0.000 0.219 240 A C 0.971 178.603 177.584 0.080 0.000 1.158 240 A CA 1.252 53.347 52.037 0.096 0.000 0.661 240 A CB -0.374 18.661 19.000 0.058 0.000 0.801 240 A HN 0.688 nan 8.150 nan 0.000 0.452 241 Q N -1.548 118.263 119.800 0.018 0.000 2.323 241 Q HA 0.557 4.896 4.340 -0.001 0.000 0.271 241 Q C -0.438 175.406 176.000 -0.261 0.000 1.048 241 Q CA -0.197 55.545 55.803 -0.100 0.000 0.792 241 Q CB 2.338 30.991 28.738 -0.141 0.000 1.280 241 Q HN 0.395 nan 8.270 nan 0.000 0.441 242 G N 0.901 109.394 108.800 -0.511 0.000 2.660 242 G HA2 0.434 4.393 3.960 -0.001 0.000 0.290 242 G HA3 0.434 4.393 3.960 -0.001 0.000 0.290 242 G C -1.756 172.607 174.900 -0.894 0.000 1.432 242 G CA -0.643 43.904 45.100 -0.922 0.000 0.807 242 G HN 0.537 nan 8.290 nan 0.000 0.485 243 H N -0.648 118.082 119.070 -0.566 0.000 2.525 243 H HA 0.549 5.105 4.556 -0.001 0.000 0.339 243 H C -0.501 174.627 175.328 -0.333 0.000 1.109 243 H CA 0.258 56.138 56.048 -0.279 0.000 1.352 243 H CB 1.040 30.820 29.762 0.030 0.000 1.461 243 H HN 0.271 nan 8.280 nan 0.000 0.533 244 F N 0.659 120.602 119.950 -0.012 0.000 2.377 244 F HA 0.558 5.084 4.527 -0.001 0.000 0.328 244 F C 1.087 176.709 175.800 -0.296 0.000 1.094 244 F CA 0.020 57.976 58.000 -0.074 0.000 1.093 244 F CB 1.482 40.432 39.000 -0.082 0.000 1.214 244 F HN 0.626 nan 8.300 nan 0.000 0.518 245 G N 1.457 110.076 108.800 -0.302 0.000 2.677 245 G HA2 0.651 4.610 3.960 -0.001 0.000 0.291 245 G HA3 0.651 4.610 3.960 -0.001 0.000 0.291 245 G C -2.248 172.475 174.900 -0.294 0.000 1.435 245 G CA -0.631 43.892 45.100 -0.962 0.000 0.826 245 G HN 0.684 nan 8.290 nan 0.000 0.491 246 I N 0.781 121.210 120.570 -0.235 0.000 2.607 246 I HA 0.682 4.851 4.170 -0.001 0.000 0.290 246 I C -0.421 175.737 176.117 0.069 0.000 1.129 246 I CA -0.482 60.844 61.300 0.043 0.000 1.042 246 I CB 2.167 40.249 38.000 0.138 0.000 1.242 246 I HN 0.837 nan 8.210 nan 0.000 0.421 247 S N 5.465 121.272 115.700 0.178 0.000 2.579 247 S HA 0.999 5.469 4.470 -0.001 0.000 0.272 247 S C -1.064 173.611 174.600 0.125 0.000 1.141 247 S CA -0.459 57.871 58.200 0.217 0.000 0.843 247 S CB 2.052 65.489 63.200 0.395 0.000 1.122 247 S HN 1.023 nan 8.310 nan 0.000 0.468 248 A N 0.318 123.182 122.820 0.074 0.000 2.594 248 A HA 1.042 5.361 4.320 -0.001 0.000 0.291 248 A C -0.678 176.872 177.584 -0.056 0.000 1.105 248 A CA -0.538 51.454 52.037 -0.076 0.000 0.694 248 A CB 1.185 20.051 19.000 -0.222 0.000 1.291 248 A HN 2.227 nan 8.150 nan 0.000 0.410 249 A N -0.083 122.648 122.820 -0.149 0.000 2.606 249 A HA 0.920 5.240 4.320 -0.001 0.000 0.293 249 A C -0.327 177.220 177.584 -0.062 0.000 1.082 249 A CA 0.132 52.118 52.037 -0.085 0.000 0.685 249 A CB 1.179 20.119 19.000 -0.100 0.000 1.284 249 A HN 2.140 nan 8.150 nan 0.000 0.408 250 T N -1.038 113.515 114.554 -0.002 0.000 2.912 250 T HA 0.780 5.129 4.350 -0.001 0.000 0.288 250 T C 0.581 175.254 174.700 -0.046 0.000 1.030 250 T CA 0.089 62.204 62.100 0.026 0.000 1.020 250 T CB 1.696 70.608 68.868 0.073 0.000 1.056 250 T HN 1.488 nan 8.240 nan 0.000 0.480 251 G N 0.525 109.270 108.800 -0.092 0.000 3.434 251 G HA2 0.527 4.486 3.960 -0.001 0.000 0.192 251 G HA3 0.527 4.486 3.960 -0.001 0.000 0.192 251 G C 1.097 175.932 174.900 -0.107 0.000 1.704 251 G CA -0.034 44.987 45.100 -0.131 0.000 0.936 251 G HN 0.990 nan 8.290 nan 0.000 0.623 252 G N -0.151 108.561 108.800 -0.146 0.000 2.439 252 G HA2 0.162 4.122 3.960 -0.001 0.000 0.212 252 G HA3 0.162 4.122 3.960 -0.001 0.000 0.212 252 G C 0.836 175.687 174.900 -0.081 0.000 1.199 252 G CA -0.018 45.026 45.100 -0.093 0.000 0.807 252 G HN 0.361 nan 8.290 nan 0.000 0.537 253 L N 0.973 122.121 121.223 -0.125 0.000 2.467 253 L HA 0.491 4.830 4.340 -0.001 0.000 0.270 253 L C 0.178 177.020 176.870 -0.047 0.000 1.205 253 L CA -0.191 54.603 54.840 -0.075 0.000 0.828 253 L CB 1.076 43.091 42.059 -0.072 0.000 1.101 253 L HN 0.228 nan 8.230 nan 0.000 0.479 254 A N 1.728 124.552 122.820 0.007 0.000 2.550 254 A HA 0.474 4.793 4.320 -0.001 0.000 0.282 254 A C -1.380 176.225 177.584 0.036 0.000 1.071 254 A CA -0.725 51.338 52.037 0.044 0.000 0.838 254 A CB 0.781 19.798 19.000 0.029 0.000 1.361 254 A HN 0.581 nan 8.150 nan 0.000 0.408 255 D N 1.106 121.530 120.400 0.040 0.000 2.229 255 D HA 0.345 4.985 4.640 -0.001 0.000 0.249 255 D C -0.617 175.522 176.300 -0.268 0.000 1.027 255 D CA 0.054 53.979 54.000 -0.126 0.000 0.923 255 D CB 1.382 42.066 40.800 -0.193 0.000 1.174 255 D HN 0.505 nan 8.370 nan 0.000 0.443 256 D N 0.943 121.205 120.400 -0.230 0.000 2.348 256 D HA 0.082 4.721 4.640 -0.001 0.000 0.253 256 D C -0.166 175.953 176.300 -0.301 0.000 1.161 256 D CA 0.263 54.163 54.000 -0.166 0.000 0.876 256 D CB 0.616 41.378 40.800 -0.063 0.000 1.160 256 D HN 0.294 nan 8.370 nan 0.000 0.459 257 H N 2.353 121.472 119.070 0.082 0.000 2.673 257 H HA 0.229 4.784 4.556 -0.001 0.000 0.293 257 H C -0.664 174.708 175.328 0.075 0.000 1.065 257 H CA -0.523 55.580 56.048 0.091 0.000 1.236 257 H CB 0.997 30.806 29.762 0.077 0.000 1.389 257 H HN 0.266 nan 8.280 nan 0.000 0.481 258 D N 2.825 123.322 120.400 0.161 0.000 2.308 258 D HA 0.140 4.779 4.640 -0.001 0.000 0.242 258 D C -0.230 176.176 176.300 0.177 0.000 1.059 258 D CA -0.466 53.613 54.000 0.131 0.000 0.830 258 D CB 3.451 44.303 40.800 0.087 0.000 1.161 258 D HN 0.206 nan 8.370 nan 0.000 0.494 259 V N 3.838 123.850 119.914 0.163 0.000 2.370 259 V HA 0.097 4.217 4.120 -0.001 0.000 0.283 259 V C 0.423 176.658 176.094 0.234 0.000 1.023 259 V CA -0.329 62.106 62.300 0.224 0.000 0.857 259 V CB 1.197 33.175 31.823 0.258 0.000 0.985 259 V HN 0.394 nan 8.190 nan 0.000 0.443 260 L N 5.412 126.753 121.223 0.198 0.000 2.202 260 L HA 0.335 4.674 4.340 -0.001 0.000 0.205 260 L C 0.960 177.951 176.870 0.202 0.000 1.083 260 L CA 1.341 56.275 54.840 0.157 0.000 0.790 260 L CB -0.228 41.882 42.059 0.085 0.000 0.942 260 L HN 0.902 nan 8.230 nan 0.000 0.452 261 S N -2.337 113.446 115.700 0.139 0.000 2.547 261 S HA 0.546 5.016 4.470 -0.001 0.000 0.270 261 S C -1.196 173.237 174.600 -0.278 0.000 1.150 261 S CA -0.706 57.472 58.200 -0.037 0.000 0.850 261 S CB 1.660 64.862 63.200 0.003 0.000 1.118 261 S HN -0.088 nan 8.310 nan 0.000 0.461 262 F N 1.823 121.227 119.950 -0.910 0.000 2.496 262 F HA 0.676 5.202 4.527 -0.002 0.000 0.341 262 F C -1.494 174.090 175.800 -0.360 0.000 1.134 262 F CA -0.812 56.759 58.000 -0.715 0.000 0.968 262 F CB 0.958 39.228 39.000 -1.218 0.000 1.205 262 F HN 0.631 nan 8.300 nan 0.000 0.436 263 L N 5.939 127.056 121.223 -0.177 0.000 2.343 263 L HA 0.512 4.851 4.340 -0.001 0.000 0.278 263 L C -0.517 176.320 176.870 -0.054 0.000 0.996 263 L CA -0.484 54.395 54.840 0.066 0.000 0.831 263 L CB 2.091 44.292 42.059 0.236 0.000 1.232 263 L HN 0.492 nan 8.230 nan 0.000 0.413 264 T N 2.804 117.223 114.554 -0.225 0.000 2.797 264 T HA 0.663 5.013 4.350 -0.001 0.000 0.279 264 T C -0.769 173.605 174.700 -0.544 0.000 0.991 264 T CA -0.262 61.671 62.100 -0.278 0.000 0.979 264 T CB 0.973 69.720 68.868 -0.203 0.000 0.943 264 T HN 0.095 nan 8.240 nan 0.000 0.444 265 F N 1.541 121.444 119.950 -0.079 0.000 2.540 265 F HA 0.448 4.974 4.527 -0.001 0.000 0.317 265 F C 0.413 176.121 175.800 -0.153 0.000 1.104 265 F CA -1.064 56.883 58.000 -0.090 0.000 0.913 265 F CB 1.983 40.974 39.000 -0.013 0.000 1.170 265 F HN 0.371 nan 8.300 nan 0.000 0.450 266 Q N 3.296 122.980 119.800 -0.193 0.000 2.259 266 Q HA 0.590 4.930 4.340 -0.001 0.000 0.249 266 Q C -1.443 174.530 176.000 -0.043 0.000 0.914 266 Q CA -0.420 55.192 55.803 -0.318 0.000 0.904 266 Q CB 1.081 29.395 28.738 -0.705 0.000 1.213 266 Q HN 0.697 nan 8.270 nan 0.000 0.428 267 L N 2.441 123.693 121.223 0.047 0.000 2.334 267 L HA 0.565 4.904 4.340 -0.001 0.000 0.276 267 L C -0.603 176.355 176.870 0.146 0.000 1.014 267 L CA -0.702 54.181 54.840 0.072 0.000 0.815 267 L CB 2.329 44.415 42.059 0.045 0.000 1.268 267 L HN 0.638 nan 8.230 nan 0.000 0.428 268 T N 0.841 115.494 114.554 0.165 0.000 2.879 268 T HA 0.248 4.597 4.350 -0.001 0.000 0.290 268 T C -0.476 174.347 174.700 0.205 0.000 0.993 268 T CA -0.678 61.533 62.100 0.184 0.000 0.975 268 T CB 1.630 70.607 68.868 0.181 0.000 0.981 268 T HN 0.457 nan 8.240 nan 0.000 0.439 269 E N 3.864 124.181 120.200 0.196 0.000 2.442 269 E HA 0.092 4.442 4.350 -0.001 0.000 0.262 269 E C -2.050 174.621 176.600 0.117 0.000 1.004 269 E CA -1.343 55.166 56.400 0.182 0.000 0.928 269 E CB 0.346 30.089 29.700 0.070 0.000 0.937 269 E HN 0.294 nan 8.360 nan 0.000 0.446 270 P HA -0.078 nan 4.420 nan 0.000 0.258 270 P C 0.479 177.802 177.300 0.039 0.000 1.187 270 P CA 0.824 63.961 63.100 0.062 0.000 0.767 270 P CB 0.636 32.369 31.700 0.055 0.000 0.770 271 G N 2.948 111.761 108.800 0.023 0.000 2.428 271 G HA2 -0.150 3.809 3.960 -0.001 0.000 0.199 271 G HA3 -0.150 3.809 3.960 -0.001 0.000 0.199 271 G C 0.240 175.146 174.900 0.010 0.000 1.005 271 G CA -0.366 44.742 45.100 0.013 0.000 0.671 271 G HN 0.510 nan 8.290 nan 0.000 0.485 272 K N 0.349 120.761 120.400 0.020 0.000 2.502 272 K HA 0.715 5.035 4.320 -0.001 0.000 0.252 272 K C -0.421 176.183 176.600 0.007 0.000 1.043 272 K CA -0.589 55.711 56.287 0.021 0.000 0.999 272 K CB 1.016 33.539 32.500 0.039 0.000 1.343 272 K HN 0.258 nan 8.250 nan 0.000 0.513 273 E N 1.448 121.658 120.200 0.016 0.000 2.293 273 E HA 0.306 4.655 4.350 -0.001 0.000 0.270 273 E C -2.264 174.360 176.600 0.039 0.000 0.879 273 E CA -1.756 54.644 56.400 -0.001 0.000 0.756 273 E CB 1.745 31.443 29.700 -0.003 0.000 1.208 273 E HN 0.439 nan 8.360 nan 0.000 0.428 274 P HA 0.000 nan 4.420 nan 0.000 0.216 274 P CA 0.000 63.163 63.100 0.105 0.000 0.800 274 P CB 0.000 31.811 31.700 0.186 0.000 0.726