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 1zmu_1_A DATA FIRST_RESID 51 DATA SEQUENCE GNYRLLKTIG KGXXAKVKLA RHILTGKEVA VKIIDKTQLN SSSLQKLFRE DATA SEQUENCE VRIMKVLNHP NIVKLFEVIE TEKTLYLVME YASGGEVFDY LVAHGRMKEK DATA SEQUENCE EARAKFRQIV SAVQYCHQKF IVHRDLKAEN LLLDADMNIK IAXXXXXXXX DATA SEQUENCE XXXXXXXXXX GSPPYAAPEL FQGKKYDGPE VDVWSLGVIL YTLVSGSLPF DATA SEQUENCE DGQNLKELRE RVLRGKYRIP FYMSTDCENL LKKFLILNPS KRGTLEQIMK DATA SEQUENCE DRWMNVGHED DELKPYVEPL PDYKDPRRTE LMVSMGYTRE EIQDSLVGQR DATA SEQUENCE YNEVMATYLL LGY 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 51 G HA2 0.000 nan 3.960 nan 0.000 0.244 51 G HA3 0.000 3.959 3.960 -0.001 0.000 0.244 51 G C 0.000 174.927 174.900 0.045 0.000 0.946 51 G CA 0.000 45.113 45.100 0.021 0.000 0.502 52 N N -0.003 118.687 118.700 -0.017 0.000 2.788 52 N HA 0.048 4.787 4.740 -0.001 0.000 0.202 52 N C -0.791 174.423 175.510 -0.494 0.000 1.305 52 N CA 0.929 53.809 53.050 -0.282 0.000 0.968 52 N CB -0.291 37.934 38.487 -0.436 0.000 1.046 52 N HN 0.316 nan 8.380 nan 0.000 0.449 53 Y N -1.067 119.202 120.300 -0.051 0.000 2.425 53 Y HA 0.394 4.943 4.550 -0.001 0.000 0.344 53 Y C 0.079 175.961 175.900 -0.031 0.000 0.969 53 Y CA -1.376 56.708 58.100 -0.027 0.000 1.052 53 Y CB 1.103 39.578 38.460 0.024 0.000 1.215 53 Y HN -0.246 nan 8.280 nan 0.000 0.451 54 R N 3.032 123.594 120.500 0.104 0.000 2.242 54 R HA 0.358 4.698 4.340 -0.001 0.000 0.334 54 R C -1.380 174.966 176.300 0.077 0.000 1.071 54 R CA -0.034 56.102 56.100 0.060 0.000 0.922 54 R CB -0.308 30.004 30.300 0.020 0.000 1.023 54 R HN 0.768 nan 8.270 nan 0.000 0.458 55 L N 6.591 127.852 121.223 0.063 0.000 2.410 55 L HA 0.163 4.502 4.340 -0.001 0.000 0.273 55 L C 0.323 177.204 176.870 0.018 0.000 1.144 55 L CA 0.031 54.897 54.840 0.043 0.000 0.863 55 L CB 0.269 42.355 42.059 0.046 0.000 1.140 55 L HN 0.571 nan 8.230 nan 0.000 0.463 56 L N 2.313 123.535 121.223 -0.002 0.000 2.755 56 L HA 0.481 4.821 4.340 -0.001 0.000 0.243 56 L C 0.849 177.707 176.870 -0.021 0.000 1.579 56 L CA -1.053 53.777 54.840 -0.016 0.000 1.669 56 L CB -0.082 41.956 42.059 -0.035 0.000 2.294 56 L HN 0.513 nan 8.230 nan 0.000 0.588 57 K N 0.746 121.129 120.400 -0.029 0.000 2.502 57 K HA 0.016 4.335 4.320 -0.001 0.000 0.268 57 K C 0.151 176.736 176.600 -0.024 0.000 1.025 57 K CA 0.601 56.873 56.287 -0.025 0.000 1.139 57 K CB -1.355 31.127 32.500 -0.029 0.000 0.810 57 K HN 0.489 nan 8.250 nan 0.000 0.483 58 T N 0.989 115.538 114.554 -0.007 0.000 2.802 58 T HA 0.453 4.802 4.350 -0.001 0.000 0.305 58 T C 1.469 176.171 174.700 0.003 0.000 1.053 58 T CA 0.818 62.917 62.100 -0.001 0.000 1.058 58 T CB -0.042 68.829 68.868 0.006 0.000 0.988 58 T HN 0.987 nan 8.240 nan 0.000 0.539 59 I N -2.368 118.210 120.570 0.014 0.000 4.604 59 I HA 0.528 4.697 4.170 -0.001 0.000 0.384 59 I C 0.332 176.473 176.117 0.042 0.000 1.155 59 I CA -0.650 60.671 61.300 0.035 0.000 1.313 59 I CB 0.316 38.351 38.000 0.057 0.000 2.167 59 I HN 0.652 nan 8.210 nan 0.000 0.704 60 G N 1.139 109.956 108.800 0.029 0.000 2.720 60 G HA2 0.741 4.700 3.960 -0.001 0.000 0.295 60 G HA3 0.741 4.700 3.960 -0.001 0.000 0.295 60 G C -1.488 173.422 174.900 0.015 0.000 1.437 60 G CA 0.223 45.338 45.100 0.026 0.000 0.886 60 G HN 0.347 nan 8.290 nan 0.000 0.509 61 K N -1.090 119.317 120.400 0.012 0.000 2.318 61 K HA 1.092 5.412 4.320 -0.001 0.000 0.265 61 K C 0.481 177.083 176.600 0.004 0.000 1.055 61 K CA 0.257 56.547 56.287 0.005 0.000 0.896 61 K CB 1.220 33.722 32.500 0.005 0.000 1.479 61 K HN 2.792 nan 8.250 nan 0.000 0.449 66 K N 0.890 121.271 120.400 -0.032 0.000 2.208 66 K HA 0.767 5.087 4.320 -0.001 0.000 0.247 66 K C -0.859 175.736 176.600 -0.009 0.000 0.953 66 K CA -0.904 55.374 56.287 -0.015 0.000 0.837 66 K CB 2.656 35.148 32.500 -0.014 0.000 1.131 66 K HN 0.369 nan 8.250 nan 0.000 0.431 67 V N 2.516 122.433 119.914 0.005 0.000 2.409 67 V HA 0.326 4.445 4.120 -0.001 0.000 0.291 67 V C -0.604 175.496 176.094 0.010 0.000 1.020 67 V CA -0.833 61.475 62.300 0.013 0.000 0.848 67 V CB 1.338 33.180 31.823 0.031 0.000 0.990 67 V HN 0.634 nan 8.190 nan 0.000 0.430 68 K N 3.311 123.713 120.400 0.003 0.000 2.207 68 K HA 0.682 5.001 4.320 -0.001 0.000 0.255 68 K C -0.858 175.714 176.600 -0.046 0.000 0.941 68 K CA -0.652 55.627 56.287 -0.012 0.000 0.825 68 K CB 2.118 34.621 32.500 0.006 0.000 1.119 68 K HN 0.601 nan 8.250 nan 0.000 0.430 69 L N 2.257 123.422 121.223 -0.097 0.000 2.334 69 L HA 0.749 5.088 4.340 -0.001 0.000 0.277 69 L C -0.963 175.835 176.870 -0.120 0.000 1.075 69 L CA 0.366 55.081 54.840 -0.209 0.000 0.804 69 L CB 1.190 43.045 42.059 -0.340 0.000 1.174 69 L HN 0.751 nan 8.230 nan 0.000 0.438 70 A N 4.583 127.350 122.820 -0.089 0.000 2.602 70 A HA 0.803 5.122 4.320 -0.001 0.000 0.290 70 A C -1.342 176.279 177.584 0.061 0.000 1.114 70 A CA -0.868 51.176 52.037 0.012 0.000 0.683 70 A CB 1.277 20.310 19.000 0.055 0.000 1.281 70 A HN 0.773 nan 8.150 nan 0.000 0.416 71 R N 0.455 121.024 120.500 0.115 0.000 2.534 71 R HA 0.398 4.738 4.340 -0.001 0.000 0.301 71 R C -0.749 175.660 176.300 0.182 0.000 0.961 71 R CA -0.509 55.662 56.100 0.117 0.000 0.871 71 R CB 0.950 31.276 30.300 0.043 0.000 1.170 71 R HN 0.929 nan 8.270 nan 0.000 0.446 72 H N 5.799 124.916 119.070 0.079 0.000 3.017 72 H HA 0.030 4.586 4.556 -0.001 0.000 0.276 72 H C 0.950 176.194 175.328 -0.141 0.000 1.062 72 H CA 0.448 56.429 56.048 -0.112 0.000 1.486 72 H CB 0.737 30.436 29.762 -0.105 0.000 1.507 72 H HN 0.710 nan 8.280 nan 0.000 0.508 73 I N 4.712 124.975 120.570 -0.512 0.000 2.194 73 I HA -0.351 3.818 4.170 -0.001 0.000 0.246 73 I C 2.321 178.250 176.117 -0.314 0.000 1.093 73 I CA 1.177 62.278 61.300 -0.331 0.000 1.355 73 I CB 0.034 37.873 38.000 -0.268 0.000 1.046 73 I HN 0.641 nan 8.210 nan 0.000 0.413 74 L N -0.390 120.521 121.223 -0.519 0.000 2.376 74 L HA -0.123 4.217 4.340 -0.001 0.000 0.219 74 L C 2.163 179.019 176.870 -0.023 0.000 1.133 74 L CA 1.562 56.266 54.840 -0.228 0.000 0.816 74 L CB -0.415 41.538 42.059 -0.176 0.000 0.933 74 L HN 0.452 nan 8.230 nan 0.000 0.449 75 T N -6.239 108.367 114.554 0.087 0.000 2.958 75 T HA 0.238 4.587 4.350 -0.001 0.000 0.256 75 T C 1.393 176.130 174.700 0.062 0.000 0.983 75 T CA 0.432 62.606 62.100 0.122 0.000 0.924 75 T CB 0.845 69.826 68.868 0.188 0.000 1.136 75 T HN 0.247 nan 8.240 nan 0.000 0.506 76 G N 2.357 111.179 108.800 0.038 0.000 2.168 76 G HA2 -0.229 3.730 3.960 -0.001 0.000 0.257 76 G HA3 -0.229 3.730 3.960 -0.001 0.000 0.257 76 G C -0.073 174.845 174.900 0.031 0.000 0.997 76 G CA 0.158 45.269 45.100 0.018 0.000 0.708 76 G HN 0.619 nan 8.290 nan 0.000 0.520 77 K N 0.661 121.092 120.400 0.052 0.000 2.174 77 K HA 0.336 4.655 4.320 -0.001 0.000 0.275 77 K C 0.455 177.072 176.600 0.028 0.000 1.015 77 K CA -0.503 55.785 56.287 0.002 0.000 0.933 77 K CB 1.218 33.670 32.500 -0.081 0.000 1.025 77 K HN 0.450 nan 8.250 nan 0.000 0.463 78 E N 1.765 121.970 120.200 0.007 0.000 2.290 78 E HA 0.136 4.486 4.350 -0.001 0.000 0.277 78 E C -0.158 176.478 176.600 0.059 0.000 1.035 78 E CA -0.293 56.121 56.400 0.023 0.000 0.873 78 E CB 0.951 30.663 29.700 0.019 0.000 1.029 78 E HN 0.358 nan 8.360 nan 0.000 0.419 79 V N -0.362 119.600 119.914 0.079 0.000 3.141 79 V HA 0.891 5.010 4.120 -0.001 0.000 0.312 79 V C -0.775 175.351 176.094 0.053 0.000 1.157 79 V CA -1.019 61.368 62.300 0.146 0.000 1.041 79 V CB 1.809 33.758 31.823 0.211 0.000 1.071 79 V HN 0.627 nan 8.190 nan 0.000 0.441 80 A N 1.383 124.269 122.820 0.110 0.000 2.324 80 A HA 0.874 5.194 4.320 -0.001 0.000 0.330 80 A C -0.677 176.917 177.584 0.016 0.000 1.165 80 A CA -0.681 51.384 52.037 0.047 0.000 0.813 80 A CB 1.551 20.646 19.000 0.157 0.000 1.197 80 A HN 1.484 nan 8.150 nan 0.000 0.484 81 V N 3.338 123.240 119.914 -0.019 0.000 2.407 81 V HA 0.261 4.380 4.120 -0.001 0.000 0.291 81 V C -0.072 176.028 176.094 0.011 0.000 1.018 81 V CA -0.770 61.514 62.300 -0.028 0.000 0.842 81 V CB 1.400 33.183 31.823 -0.065 0.000 0.996 81 V HN 0.867 nan 8.190 nan 0.000 0.426 82 K N 5.448 125.854 120.400 0.011 0.000 2.349 82 K HA 0.504 4.823 4.320 -0.001 0.000 0.288 82 K C -0.667 175.915 176.600 -0.030 0.000 1.058 82 K CA -0.070 56.214 56.287 -0.006 0.000 0.953 82 K CB 1.079 33.570 32.500 -0.015 0.000 0.997 82 K HN 0.553 nan 8.250 nan 0.000 0.477 83 I N 4.949 125.475 120.570 -0.073 0.000 2.359 83 I HA 0.364 4.533 4.170 -0.001 0.000 0.294 83 I C 0.049 176.044 176.117 -0.204 0.000 0.987 83 I CA -0.648 60.514 61.300 -0.231 0.000 1.225 83 I CB 1.024 38.905 38.000 -0.199 0.000 1.366 83 I HN 0.361 nan 8.210 nan 0.000 0.466 84 I N 4.788 125.199 120.570 -0.266 0.000 2.499 84 I HA 0.191 4.360 4.170 -0.001 0.000 0.288 84 I C -0.857 175.170 176.117 -0.151 0.000 1.048 84 I CA -0.600 60.610 61.300 -0.150 0.000 1.062 84 I CB 2.131 40.074 38.000 -0.096 0.000 1.238 84 I HN 0.508 nan 8.210 nan 0.000 0.426 85 D N 6.528 126.870 120.400 -0.098 0.000 2.365 85 D HA 0.149 4.788 4.640 -0.001 0.000 0.237 85 D C 0.775 177.053 176.300 -0.037 0.000 1.190 85 D CA -0.049 53.908 54.000 -0.072 0.000 0.867 85 D CB 1.064 41.832 40.800 -0.053 0.000 1.050 85 D HN 0.405 nan 8.370 nan 0.000 0.491 86 K N 1.298 121.685 120.400 -0.022 0.000 2.211 86 K HA -0.098 4.221 4.320 -0.001 0.000 0.203 86 K C 1.875 178.474 176.600 -0.001 0.000 1.050 86 K CA 1.256 57.547 56.287 0.007 0.000 0.945 86 K CB -0.037 32.490 32.500 0.045 0.000 0.732 86 K HN 0.518 nan 8.250 nan 0.000 0.451 87 T N -0.182 114.370 114.554 -0.005 0.000 2.977 87 T HA -0.105 4.244 4.350 -0.001 0.000 0.271 87 T C 1.407 176.101 174.700 -0.010 0.000 1.105 87 T CA 0.831 62.928 62.100 -0.005 0.000 1.116 87 T CB 0.022 68.888 68.868 -0.003 0.000 0.878 87 T HN 0.068 nan 8.240 nan 0.000 0.509 88 Q N 0.226 120.018 119.800 -0.013 0.000 2.219 88 Q HA 0.408 4.747 4.340 -0.001 0.000 0.209 88 Q C 0.164 176.155 176.000 -0.016 0.000 0.854 88 Q CA -0.081 55.713 55.803 -0.014 0.000 0.960 88 Q CB 0.584 29.314 28.738 -0.014 0.000 1.116 88 Q HN 0.495 nan 8.270 nan 0.000 0.500 89 L N 3.247 124.459 121.223 -0.017 0.000 2.276 89 L HA 0.207 4.546 4.340 -0.001 0.000 0.286 89 L C 0.537 177.390 176.870 -0.029 0.000 1.061 89 L CA -0.523 54.305 54.840 -0.020 0.000 0.807 89 L CB 0.814 42.864 42.059 -0.015 0.000 1.177 89 L HN 0.199 nan 8.230 nan 0.000 0.429 90 N N 1.188 119.870 118.700 -0.029 0.000 2.288 90 N HA -0.033 4.707 4.740 -0.001 0.000 0.237 90 N C 0.953 176.432 175.510 -0.052 0.000 1.311 90 N CA -0.106 52.922 53.050 -0.036 0.000 0.909 90 N CB 0.508 38.977 38.487 -0.030 0.000 1.167 90 N HN 0.450 nan 8.380 nan 0.000 0.476 91 S N -0.687 114.979 115.700 -0.056 0.000 2.377 91 S HA -0.235 4.234 4.470 -0.001 0.000 0.224 91 S C 1.746 176.298 174.600 -0.081 0.000 1.042 91 S CA 2.035 60.189 58.200 -0.076 0.000 1.086 91 S CB -1.006 62.155 63.200 -0.065 0.000 0.995 91 S HN 0.764 nan 8.310 nan 0.000 0.428 92 S N 0.671 116.336 115.700 -0.059 0.000 2.515 92 S HA 0.014 4.484 4.470 -0.001 0.000 0.231 92 S C 1.800 176.373 174.600 -0.046 0.000 0.987 92 S CA 0.991 59.158 58.200 -0.054 0.000 0.936 92 S CB -0.380 62.796 63.200 -0.040 0.000 0.766 92 S HN 0.530 nan 8.310 nan 0.000 0.528 93 S N 2.924 118.598 115.700 -0.042 0.000 2.355 93 S HA 0.080 4.549 4.470 -0.001 0.000 0.222 93 S C 1.783 176.367 174.600 -0.026 0.000 1.031 93 S CA 0.936 59.119 58.200 -0.027 0.000 0.993 93 S CB -0.808 62.379 63.200 -0.022 0.000 0.859 93 S HN 0.408 nan 8.310 nan 0.000 0.453 94 L N 1.575 122.759 121.223 -0.064 0.000 2.043 94 L HA -0.267 4.073 4.340 -0.001 0.000 0.212 94 L C 3.498 180.262 176.870 -0.177 0.000 1.075 94 L CA 1.937 56.701 54.840 -0.127 0.000 0.752 94 L CB -1.115 40.809 42.059 -0.225 0.000 0.891 94 L HN 0.567 nan 8.230 nan 0.000 0.432 95 Q N 0.141 119.854 119.800 -0.144 0.000 2.124 95 Q HA -0.249 4.090 4.340 -0.001 0.000 0.202 95 Q C 2.159 178.166 176.000 0.011 0.000 0.977 95 Q CA 1.885 57.630 55.803 -0.097 0.000 0.850 95 Q CB -0.550 28.144 28.738 -0.074 0.000 0.901 95 Q HN 0.524 nan 8.270 nan 0.000 0.429 96 K N -0.492 119.914 120.400 0.010 0.000 2.116 96 K HA 0.044 4.363 4.320 -0.001 0.000 0.203 96 K C 2.170 178.807 176.600 0.061 0.000 1.052 96 K CA 0.959 57.261 56.287 0.024 0.000 0.952 96 K CB -0.133 32.366 32.500 -0.001 0.000 0.729 96 K HN 0.365 nan 8.250 nan 0.000 0.446 97 L N 0.857 122.141 121.223 0.101 0.000 2.012 97 L HA -0.160 4.179 4.340 -0.001 0.000 0.210 97 L C 1.908 178.907 176.870 0.214 0.000 1.073 97 L CA 1.790 56.716 54.840 0.144 0.000 0.748 97 L CB -0.649 41.521 42.059 0.184 0.000 0.891 97 L HN -0.009 nan 8.230 nan 0.000 0.431 98 F N 0.304 120.236 119.950 -0.030 0.000 2.095 98 F HA -0.180 4.346 4.527 -0.001 0.000 0.298 98 F C 2.847 178.629 175.800 -0.030 0.000 1.104 98 F CA 1.852 59.836 58.000 -0.026 0.000 1.232 98 F CB -0.987 38.002 39.000 -0.018 0.000 0.987 98 F HN 0.158 nan 8.300 nan 0.000 0.475 99 R N 0.488 121.080 120.500 0.154 0.000 2.094 99 R HA -0.261 4.079 4.340 -0.001 0.000 0.239 99 R C 2.188 178.490 176.300 0.004 0.000 1.137 99 R CA 2.158 58.292 56.100 0.056 0.000 0.943 99 R CB -0.483 29.836 30.300 0.033 0.000 0.850 99 R HN 0.241 nan 8.270 nan 0.000 0.433 100 E N -0.203 119.993 120.200 -0.007 0.000 2.085 100 E HA -0.148 4.201 4.350 -0.001 0.000 0.194 100 E C 1.899 178.459 176.600 -0.068 0.000 0.994 100 E CA 1.627 57.998 56.400 -0.048 0.000 0.801 100 E CB -0.065 29.605 29.700 -0.049 0.000 0.743 100 E HN 0.227 nan 8.360 nan 0.000 0.453 101 V N 0.379 120.249 119.914 -0.075 0.000 2.287 101 V HA -0.286 3.833 4.120 -0.001 0.000 0.248 101 V C 2.471 178.489 176.094 -0.127 0.000 1.053 101 V CA 2.182 64.402 62.300 -0.134 0.000 1.027 101 V CB -0.526 31.180 31.823 -0.194 0.000 0.646 101 V HN 0.234 nan 8.190 nan 0.000 0.447 102 R N -0.249 120.205 120.500 -0.077 0.000 2.112 102 R HA -0.199 4.140 4.340 -0.001 0.000 0.242 102 R C 2.146 178.423 176.300 -0.038 0.000 1.137 102 R CA 2.233 58.307 56.100 -0.043 0.000 0.944 102 R CB -0.491 29.806 30.300 -0.005 0.000 0.857 102 R HN 0.499 nan 8.270 nan 0.000 0.435 103 I N -0.367 120.180 120.570 -0.039 0.000 2.179 103 I HA -0.313 3.856 4.170 -0.001 0.000 0.242 103 I C 2.456 178.546 176.117 -0.045 0.000 1.088 103 I CA 1.296 62.576 61.300 -0.033 0.000 1.357 103 I CB -0.208 37.767 38.000 -0.043 0.000 1.051 103 I HN 0.248 nan 8.210 nan 0.000 0.409 104 M N 0.806 120.354 119.600 -0.087 0.000 2.082 104 M HA -0.274 4.205 4.480 -0.001 0.000 0.258 104 M C 2.150 178.360 176.300 -0.151 0.000 1.069 104 M CA 1.960 57.187 55.300 -0.123 0.000 1.102 104 M CB -0.254 32.239 32.600 -0.178 0.000 1.336 104 M HN -0.095 nan 8.290 nan 0.000 0.404 105 K N -1.493 118.784 120.400 -0.206 0.000 2.281 105 K HA -0.111 4.208 4.320 -0.001 0.000 0.203 105 K C 1.517 178.199 176.600 0.137 0.000 1.046 105 K CA 1.175 57.341 56.287 -0.201 0.000 0.938 105 K CB -0.012 32.434 32.500 -0.089 0.000 0.737 105 K HN 0.247 nan 8.250 nan 0.000 0.458 106 V N 0.109 120.079 119.914 0.093 0.000 3.570 106 V HA 0.131 4.251 4.120 -0.001 0.000 0.257 106 V C 0.079 176.277 176.094 0.173 0.000 1.272 106 V CA 0.005 62.389 62.300 0.140 0.000 1.079 106 V CB 0.289 32.163 31.823 0.085 0.000 0.829 106 V HN 0.099 nan 8.190 nan 0.000 0.454 107 L N 2.000 123.319 121.223 0.161 0.000 2.313 107 L HA 0.357 4.696 4.340 -0.001 0.000 0.282 107 L C 0.043 177.110 176.870 0.328 0.000 1.092 107 L CA 0.166 55.177 54.840 0.286 0.000 0.831 107 L CB 0.266 42.451 42.059 0.210 0.000 1.159 107 L HN 0.134 nan 8.230 nan 0.000 0.442 108 N N 2.491 121.460 118.700 0.449 0.000 2.841 108 N HA 0.165 4.905 4.740 -0.001 0.000 0.257 108 N C -1.150 174.443 175.510 0.139 0.000 1.396 108 N CA -0.311 52.905 53.050 0.276 0.000 0.823 108 N CB 0.237 38.880 38.487 0.259 0.000 1.162 108 N HN 0.477 nan 8.380 nan 0.000 0.503 109 H N 1.910 120.892 119.070 -0.146 0.000 2.637 109 H HA 0.426 4.982 4.556 -0.001 0.000 0.363 109 H C -2.157 172.953 175.328 -0.363 0.000 1.131 109 H CA -1.835 53.854 56.048 -0.599 0.000 1.183 109 H CB 2.614 31.927 29.762 -0.748 0.000 1.637 109 H HN 0.243 nan 8.280 nan 0.000 0.531 110 P HA -0.009 nan 4.420 nan 0.000 0.239 110 P C -0.374 176.945 177.300 0.032 0.000 1.184 110 P CA 0.777 63.828 63.100 -0.082 0.000 0.760 110 P CB 0.285 31.895 31.700 -0.151 0.000 0.884 111 N N -0.895 117.900 118.700 0.160 0.000 2.194 111 N HA 0.243 4.982 4.740 -0.001 0.000 0.231 111 N C -0.004 175.446 175.510 -0.100 0.000 1.247 111 N CA -0.195 52.851 53.050 -0.006 0.000 0.884 111 N CB 0.536 38.991 38.487 -0.053 0.000 1.146 111 N HN 0.114 nan 8.380 nan 0.000 0.516 112 I N 1.139 121.668 120.570 -0.069 0.000 2.493 112 I HA 0.300 4.469 4.170 -0.001 0.000 0.298 112 I C 0.296 176.397 176.117 -0.026 0.000 0.998 112 I CA -1.571 59.696 61.300 -0.055 0.000 1.137 112 I CB 1.776 39.763 38.000 -0.021 0.000 1.310 112 I HN -0.176 nan 8.210 nan 0.000 0.445 113 V N 2.821 122.711 119.914 -0.040 0.000 2.529 113 V HA 0.214 4.333 4.120 -0.001 0.000 0.292 113 V C 0.466 176.495 176.094 -0.108 0.000 1.028 113 V CA -0.558 61.705 62.300 -0.062 0.000 1.074 113 V CB 0.227 32.015 31.823 -0.058 0.000 0.958 113 V HN 0.627 nan 8.190 nan 0.000 0.481 114 K N 3.668 123.964 120.400 -0.173 0.000 2.451 114 K HA 0.192 4.512 4.320 -0.001 0.000 0.280 114 K C -0.320 175.976 176.600 -0.507 0.000 1.020 114 K CA -0.226 55.881 56.287 -0.300 0.000 1.008 114 K CB 1.072 33.352 32.500 -0.366 0.000 0.917 114 K HN 0.796 nan 8.250 nan 0.000 0.478 115 L N 3.793 124.835 121.223 -0.301 0.000 2.380 115 L HA 0.099 4.439 4.340 -0.001 0.000 0.273 115 L C 0.292 177.106 176.870 -0.094 0.000 1.138 115 L CA 0.659 55.337 54.840 -0.270 0.000 0.832 115 L CB 0.281 42.129 42.059 -0.352 0.000 1.124 115 L HN 0.537 nan 8.230 nan 0.000 0.454 116 F N 1.410 121.494 119.950 0.224 0.000 2.592 116 F HA 0.383 4.910 4.527 -0.001 0.000 0.280 116 F C 0.690 176.704 175.800 0.357 0.000 1.083 116 F CA -0.202 57.973 58.000 0.291 0.000 1.365 116 F CB 0.160 39.268 39.000 0.181 0.000 1.100 116 F HN 0.510 nan 8.300 nan 0.000 0.633 117 E N -0.232 120.217 120.200 0.414 0.000 2.375 117 E HA 0.550 4.900 4.350 -0.001 0.000 0.280 117 E C -1.908 174.799 176.600 0.179 0.000 0.972 117 E CA -0.473 56.125 56.400 0.330 0.000 0.782 117 E CB 2.757 32.656 29.700 0.332 0.000 1.229 117 E HN -0.239 nan 8.360 nan 0.000 0.439 118 V N 4.452 124.461 119.914 0.159 0.000 2.525 118 V HA 0.488 4.608 4.120 -0.001 0.000 0.299 118 V C -0.584 175.574 176.094 0.106 0.000 1.034 118 V CA -0.546 61.803 62.300 0.082 0.000 0.863 118 V CB 1.543 33.371 31.823 0.009 0.000 0.999 118 V HN 0.539 nan 8.190 nan 0.000 0.423 119 I N 4.342 124.986 120.570 0.124 0.000 2.382 119 I HA 0.467 4.636 4.170 -0.001 0.000 0.286 119 I C -0.097 176.126 176.117 0.177 0.000 1.002 119 I CA -0.339 61.031 61.300 0.116 0.000 1.135 119 I CB 1.662 39.675 38.000 0.021 0.000 1.288 119 I HN 0.571 nan 8.210 nan 0.000 0.448 120 E N 5.329 125.599 120.200 0.118 0.000 2.151 120 E HA 0.486 4.836 4.350 -0.001 0.000 0.275 120 E C -0.433 176.240 176.600 0.121 0.000 0.936 120 E CA -0.572 55.892 56.400 0.106 0.000 0.777 120 E CB 2.273 32.001 29.700 0.047 0.000 1.108 120 E HN 0.667 nan 8.360 nan 0.000 0.401 121 T N -1.108 113.531 114.554 0.141 0.000 2.807 121 T HA 0.259 4.608 4.350 -0.001 0.000 0.277 121 T C 0.932 175.686 174.700 0.090 0.000 1.006 121 T CA -0.778 61.392 62.100 0.117 0.000 1.006 121 T CB 1.361 70.316 68.868 0.144 0.000 1.274 121 T HN 0.331 nan 8.240 nan 0.000 0.569 122 E N 0.146 120.390 120.200 0.074 0.000 2.106 122 E HA -0.084 4.266 4.350 -0.001 0.000 0.192 122 E C 1.765 178.399 176.600 0.058 0.000 0.984 122 E CA 1.063 57.501 56.400 0.063 0.000 0.806 122 E CB 0.034 29.764 29.700 0.050 0.000 0.750 122 E HN 0.546 nan 8.360 nan 0.000 0.458 123 K N -0.363 120.067 120.400 0.051 0.000 2.313 123 K HA 0.078 4.397 4.320 -0.001 0.000 0.197 123 K C 0.169 176.772 176.600 0.006 0.000 1.061 123 K CA 0.538 56.842 56.287 0.030 0.000 0.980 123 K CB 1.025 33.541 32.500 0.026 0.000 0.888 123 K HN -0.083 nan 8.250 nan 0.000 0.502 124 T N 1.407 115.965 114.554 0.006 0.000 2.841 124 T HA 0.379 4.728 4.350 -0.001 0.000 0.285 124 T C -1.197 173.453 174.700 -0.083 0.000 0.991 124 T CA -0.676 61.364 62.100 -0.101 0.000 0.966 124 T CB 1.989 70.780 68.868 -0.128 0.000 0.962 124 T HN -0.122 nan 8.240 nan 0.000 0.438 125 L N 4.022 125.156 121.223 -0.149 0.000 2.282 125 L HA 0.592 4.931 4.340 -0.001 0.000 0.288 125 L C -1.533 175.216 176.870 -0.202 0.000 1.033 125 L CA -0.558 54.242 54.840 -0.067 0.000 0.807 125 L CB 0.404 42.445 42.059 -0.030 0.000 1.209 125 L HN 0.576 nan 8.230 nan 0.000 0.423 126 Y N 5.028 125.321 120.300 -0.013 0.000 2.377 126 Y HA 0.597 5.147 4.550 -0.001 0.000 0.339 126 Y C -0.494 175.380 175.900 -0.044 0.000 1.011 126 Y CA -1.089 56.994 58.100 -0.029 0.000 1.093 126 Y CB 1.231 39.671 38.460 -0.034 0.000 1.201 126 Y HN 0.303 nan 8.280 nan 0.000 0.455 127 L N 4.161 125.438 121.223 0.091 0.000 2.316 127 L HA 0.513 4.852 4.340 -0.001 0.000 0.280 127 L C -0.859 176.018 176.870 0.012 0.000 1.006 127 L CA -0.962 53.892 54.840 0.023 0.000 0.836 127 L CB 1.255 43.299 42.059 -0.024 0.000 1.221 127 L HN 0.371 nan 8.230 nan 0.000 0.418 128 V N 5.517 125.442 119.914 0.017 0.000 2.432 128 V HA 0.443 4.562 4.120 -0.001 0.000 0.271 128 V C 0.389 176.553 176.094 0.116 0.000 1.046 128 V CA -0.164 62.148 62.300 0.021 0.000 0.945 128 V CB 1.168 32.983 31.823 -0.012 0.000 0.992 128 V HN 0.797 nan 8.190 nan 0.000 0.471 129 M N 2.059 121.731 119.600 0.121 0.000 2.664 129 M HA 0.664 5.143 4.480 -0.001 0.000 0.279 129 M C -0.498 175.892 176.300 0.149 0.000 1.275 129 M CA -0.873 54.430 55.300 0.006 0.000 0.829 129 M CB 2.060 34.615 32.600 -0.075 0.000 1.727 129 M HN 0.424 nan 8.290 nan 0.000 0.459 130 E N 1.207 121.372 120.200 -0.059 0.000 2.452 130 E HA -0.012 4.337 4.350 -0.001 0.000 0.261 130 E C -1.893 174.820 176.600 0.187 0.000 0.987 130 E CA 0.220 56.724 56.400 0.173 0.000 0.926 130 E CB 0.580 30.279 29.700 -0.002 0.000 0.934 130 E HN 0.546 nan 8.360 nan 0.000 0.452 131 Y N 3.065 123.413 120.300 0.080 0.000 2.342 131 Y HA 0.457 5.006 4.550 -0.001 0.000 0.338 131 Y C -0.722 175.196 175.900 0.030 0.000 0.965 131 Y CA -1.015 57.112 58.100 0.045 0.000 1.159 131 Y CB 1.001 39.490 38.460 0.047 0.000 1.157 131 Y HN 0.467 nan 8.280 nan 0.000 0.486 132 A N 4.513 127.085 122.820 -0.413 0.000 2.539 132 A HA 0.300 4.619 4.320 -0.001 0.000 0.306 132 A C 0.909 178.002 177.584 -0.818 0.000 1.392 132 A CA 0.179 51.946 52.037 -0.450 0.000 1.060 132 A CB -0.683 18.191 19.000 -0.211 0.000 1.134 132 A HN 0.968 nan 8.150 nan 0.000 0.542 133 S N 1.710 116.919 115.700 -0.819 0.000 2.607 133 S HA 0.056 4.525 4.470 -0.001 0.000 0.224 133 S C 1.283 175.745 174.600 -0.230 0.000 0.969 133 S CA 0.630 58.438 58.200 -0.654 0.000 0.927 133 S CB 0.084 63.168 63.200 -0.193 0.000 0.772 133 S HN 0.874 nan 8.310 nan 0.000 0.533 134 G N 0.419 109.109 108.800 -0.182 0.000 3.088 134 G HA2 0.517 4.476 3.960 -0.001 0.000 0.217 134 G HA3 0.517 4.476 3.960 -0.001 0.000 0.217 134 G C 0.839 175.723 174.900 -0.026 0.000 1.159 134 G CA 0.007 45.072 45.100 -0.058 0.000 0.760 134 G HN 1.060 nan 8.290 nan 0.000 0.550 135 G N 0.127 108.888 108.800 -0.065 0.000 2.741 135 G HA2 -0.204 3.755 3.960 -0.001 0.000 0.222 135 G HA3 -0.204 3.755 3.960 -0.001 0.000 0.222 135 G C -0.295 174.606 174.900 0.002 0.000 1.364 135 G CA -0.387 44.704 45.100 -0.015 0.000 0.866 135 G HN 0.470 nan 8.290 nan 0.000 0.555 136 E N -1.102 119.112 120.200 0.022 0.000 2.390 136 E HA 0.358 4.707 4.350 -0.001 0.000 0.261 136 E C 1.451 178.079 176.600 0.045 0.000 1.076 136 E CA -0.158 56.255 56.400 0.022 0.000 0.905 136 E CB 1.506 31.221 29.700 0.025 0.000 0.984 136 E HN 0.387 nan 8.360 nan 0.000 0.427 137 V N 2.400 122.323 119.914 0.015 0.000 2.379 137 V HA -0.255 3.864 4.120 -0.001 0.000 0.245 137 V C 2.329 178.454 176.094 0.053 0.000 1.044 137 V CA 2.284 64.586 62.300 0.002 0.000 1.036 137 V CB -0.972 30.816 31.823 -0.060 0.000 0.664 137 V HN 0.812 nan 8.190 nan 0.000 0.453 138 F N 0.752 120.731 119.950 0.049 0.000 2.039 138 F HA -0.400 4.126 4.527 -0.001 0.000 0.296 138 F C 2.363 178.219 175.800 0.093 0.000 1.119 138 F CA 2.748 60.789 58.000 0.069 0.000 1.211 138 F CB -1.667 37.369 39.000 0.061 0.000 0.956 138 F HN 0.364 nan 8.300 nan 0.000 0.496 139 D N -1.755 118.698 120.400 0.088 0.000 2.149 139 D HA -0.216 4.423 4.640 -0.001 0.000 0.194 139 D C 1.801 178.174 176.300 0.121 0.000 1.001 139 D CA 2.130 56.181 54.000 0.084 0.000 0.849 139 D CB -0.979 39.861 40.800 0.065 0.000 0.939 139 D HN 0.682 nan 8.370 nan 0.000 0.449 140 Y N 1.160 121.461 120.300 0.001 0.000 2.314 140 Y HA -0.050 4.500 4.550 -0.001 0.000 0.293 140 Y C 2.101 177.999 175.900 -0.003 0.000 1.129 140 Y CA 0.772 58.871 58.100 -0.002 0.000 1.201 140 Y CB -0.346 38.111 38.460 -0.005 0.000 0.999 140 Y HN -0.062 nan 8.280 nan 0.000 0.541 141 L N -1.479 119.918 121.223 0.291 0.000 1.988 141 L HA -0.185 4.154 4.340 -0.001 0.000 0.207 141 L C 2.361 179.295 176.870 0.108 0.000 1.071 141 L CA 1.277 56.223 54.840 0.177 0.000 0.744 141 L CB -1.123 40.992 42.059 0.094 0.000 0.893 141 L HN -0.048 nan 8.230 nan 0.000 0.433 142 V N 0.461 120.424 119.914 0.082 0.000 2.370 142 V HA -0.351 3.769 4.120 -0.001 0.000 0.252 142 V C 2.675 178.785 176.094 0.027 0.000 1.068 142 V CA 1.971 64.300 62.300 0.050 0.000 1.061 142 V CB -1.266 30.584 31.823 0.045 0.000 0.656 142 V HN 0.508 nan 8.190 nan 0.000 0.455 143 A N -0.505 122.325 122.820 0.018 0.000 1.835 143 A HA -0.123 4.196 4.320 -0.001 0.000 0.213 143 A C 2.153 179.700 177.584 -0.062 0.000 1.210 143 A CA 1.837 53.848 52.037 -0.044 0.000 0.605 143 A CB -1.042 17.892 19.000 -0.110 0.000 0.860 143 A HN 0.762 nan 8.150 nan 0.000 0.447 144 H N -1.224 117.801 119.070 -0.075 0.000 2.539 144 H HA 0.451 5.006 4.556 -0.001 0.000 0.269 144 H C 1.657 176.992 175.328 0.012 0.000 0.980 144 H CA 0.904 56.915 56.048 -0.061 0.000 1.152 144 H CB -0.820 28.859 29.762 -0.139 0.000 1.407 144 H HN 1.662 nan 8.280 nan 0.000 0.564 145 G N 0.421 109.238 108.800 0.028 0.000 2.642 145 G HA2 -0.231 3.729 3.960 -0.001 0.000 0.231 145 G HA3 -0.231 3.729 3.960 -0.001 0.000 0.231 145 G C 0.398 175.313 174.900 0.025 0.000 1.338 145 G CA -0.079 45.030 45.100 0.015 0.000 0.883 145 G HN 1.238 nan 8.290 nan 0.000 0.570 146 R N -0.663 119.818 120.500 -0.033 0.000 2.774 146 R HA 0.532 4.871 4.340 -0.001 0.000 0.269 146 R C 0.567 176.839 176.300 -0.047 0.000 1.068 146 R CA -0.262 55.800 56.100 -0.063 0.000 1.180 146 R CB 0.306 30.510 30.300 -0.159 0.000 1.077 146 R HN 0.522 nan 8.270 nan 0.000 0.513 147 M N 1.708 121.278 119.600 -0.050 0.000 2.249 147 M HA 0.213 4.692 4.480 -0.001 0.000 0.351 147 M C -0.008 176.258 176.300 -0.058 0.000 1.180 147 M CA -0.493 54.788 55.300 -0.032 0.000 1.127 147 M CB 1.320 33.897 32.600 -0.039 0.000 1.546 147 M HN 0.396 nan 8.290 nan 0.000 0.461 148 K N 2.208 122.586 120.400 -0.038 0.000 2.380 148 K HA -0.004 4.316 4.320 -0.001 0.000 0.267 148 K C 0.725 177.337 176.600 0.020 0.000 0.990 148 K CA 0.214 56.478 56.287 -0.038 0.000 0.946 148 K CB 0.284 32.769 32.500 -0.024 0.000 0.937 148 K HN 0.672 nan 8.250 nan 0.000 0.491 149 E N 1.973 122.213 120.200 0.066 0.000 2.171 149 E HA -0.261 4.088 4.350 -0.001 0.000 0.197 149 E C 2.068 178.724 176.600 0.093 0.000 0.997 149 E CA 2.086 58.608 56.400 0.204 0.000 0.810 149 E CB -0.016 29.876 29.700 0.320 0.000 0.738 149 E HN 0.643 nan 8.360 nan 0.000 0.467 150 K N 1.473 121.872 120.400 -0.002 0.000 2.097 150 K HA -0.193 4.126 4.320 -0.001 0.000 0.206 150 K C 1.748 178.327 176.600 -0.036 0.000 1.049 150 K CA 1.568 57.816 56.287 -0.065 0.000 0.933 150 K CB -0.504 31.961 32.500 -0.057 0.000 0.717 150 K HN 0.154 nan 8.250 nan 0.000 0.442 151 E N -0.661 119.540 120.200 0.002 0.000 2.033 151 E HA 0.017 4.367 4.350 -0.001 0.000 0.189 151 E C 2.475 179.092 176.600 0.029 0.000 0.979 151 E CA 0.761 57.164 56.400 0.005 0.000 0.802 151 E CB -0.146 29.555 29.700 0.001 0.000 0.763 151 E HN 0.481 nan 8.360 nan 0.000 0.449 152 A N 2.027 124.887 122.820 0.067 0.000 1.954 152 A HA -0.326 3.994 4.320 -0.001 0.000 0.222 152 A C 2.159 179.908 177.584 0.275 0.000 1.199 152 A CA 2.337 54.466 52.037 0.152 0.000 0.657 152 A CB -0.808 18.325 19.000 0.220 0.000 0.823 152 A HN 0.246 nan 8.150 nan 0.000 0.463 153 R N -0.731 119.865 120.500 0.161 0.000 2.066 153 R HA -0.028 4.311 4.340 -0.001 0.000 0.232 153 R C 2.394 178.736 176.300 0.070 0.000 1.131 153 R CA 1.503 57.585 56.100 -0.029 0.000 0.955 153 R CB -0.485 29.494 30.300 -0.535 0.000 0.851 153 R HN 0.451 nan 8.270 nan 0.000 0.432 154 A N 1.267 124.111 122.820 0.040 0.000 1.865 154 A HA -0.199 4.120 4.320 -0.001 0.000 0.217 154 A C 2.026 179.640 177.584 0.049 0.000 1.191 154 A CA 1.853 53.918 52.037 0.046 0.000 0.623 154 A CB -0.409 18.610 19.000 0.031 0.000 0.826 154 A HN 0.232 nan 8.150 nan 0.000 0.444 155 K N -1.129 119.307 120.400 0.059 0.000 2.057 155 K HA -0.036 4.283 4.320 -0.001 0.000 0.207 155 K C 1.536 178.210 176.600 0.122 0.000 1.049 155 K CA 1.268 57.586 56.287 0.051 0.000 0.931 155 K CB -0.621 31.884 32.500 0.009 0.000 0.714 155 K HN 0.474 nan 8.250 nan 0.000 0.440 156 F N 1.293 121.264 119.950 0.035 0.000 2.325 156 F HA -0.039 4.487 4.527 -0.001 0.000 0.299 156 F C 1.656 177.491 175.800 0.057 0.000 1.090 156 F CA 0.999 59.039 58.000 0.066 0.000 1.392 156 F CB 0.118 39.239 39.000 0.201 0.000 1.053 156 F HN -0.087 nan 8.300 nan 0.000 0.521 157 R N -0.280 120.246 120.500 0.043 0.000 2.073 157 R HA -0.120 4.219 4.340 -0.001 0.000 0.229 157 R C 2.155 178.381 176.300 -0.123 0.000 1.120 157 R CA 1.487 57.537 56.100 -0.082 0.000 0.967 157 R CB -0.528 29.709 30.300 -0.105 0.000 0.862 157 R HN 0.355 nan 8.270 nan 0.000 0.436 158 Q N 0.553 120.305 119.800 -0.081 0.000 2.112 158 Q HA -0.188 4.151 4.340 -0.001 0.000 0.206 158 Q C 2.124 178.030 176.000 -0.157 0.000 0.987 158 Q CA 1.587 57.345 55.803 -0.075 0.000 0.858 158 Q CB -0.228 28.481 28.738 -0.048 0.000 0.905 158 Q HN 0.370 nan 8.270 nan 0.000 0.420 159 I N -0.328 120.115 120.570 -0.211 0.000 2.202 159 I HA -0.249 3.920 4.170 -0.001 0.000 0.242 159 I C 2.209 178.107 176.117 -0.364 0.000 1.091 159 I CA 0.819 61.952 61.300 -0.279 0.000 1.368 159 I CB -0.247 37.612 38.000 -0.235 0.000 1.058 159 I HN 0.024 nan 8.210 nan 0.000 0.410 160 V N -0.185 119.436 119.914 -0.488 0.000 2.343 160 V HA -0.301 3.818 4.120 -0.001 0.000 0.247 160 V C 2.607 178.573 176.094 -0.213 0.000 1.051 160 V CA 2.144 64.207 62.300 -0.396 0.000 1.036 160 V CB -0.612 30.955 31.823 -0.425 0.000 0.654 160 V HN 0.476 nan 8.190 nan 0.000 0.451 161 S N -0.088 115.521 115.700 -0.151 0.000 2.359 161 S HA -0.288 4.181 4.470 -0.001 0.000 0.223 161 S C 2.169 176.721 174.600 -0.080 0.000 1.039 161 S CA 2.037 60.231 58.200 -0.009 0.000 1.042 161 S CB -0.454 62.798 63.200 0.087 0.000 0.915 161 S HN 0.643 nan 8.310 nan 0.000 0.439 162 A N 0.717 123.289 122.820 -0.414 0.000 1.859 162 A HA -0.088 4.231 4.320 -0.001 0.000 0.217 162 A C 2.384 179.784 177.584 -0.306 0.000 1.198 162 A CA 2.239 53.852 52.037 -0.707 0.000 0.629 162 A CB -1.239 17.445 19.000 -0.526 0.000 0.830 162 A HN 0.509 nan 8.150 nan 0.000 0.446 163 V N 0.047 119.794 119.914 -0.278 0.000 2.548 163 V HA -0.215 3.904 4.120 -0.001 0.000 0.249 163 V C 2.704 178.547 176.094 -0.419 0.000 1.055 163 V CA 1.945 64.061 62.300 -0.306 0.000 1.065 163 V CB -0.716 30.926 31.823 -0.303 0.000 0.681 163 V HN 0.656 nan 8.190 nan 0.000 0.462 164 Q N -0.347 119.299 119.800 -0.256 0.000 2.046 164 Q HA -0.240 4.099 4.340 -0.001 0.000 0.200 164 Q C 2.254 178.237 176.000 -0.029 0.000 0.975 164 Q CA 2.021 57.721 55.803 -0.171 0.000 0.836 164 Q CB -0.414 28.305 28.738 -0.032 0.000 0.896 164 Q HN 0.689 nan 8.270 nan 0.000 0.428 165 Y N 1.010 121.282 120.300 -0.046 0.000 2.069 165 Y HA -0.348 4.202 4.550 -0.001 0.000 0.278 165 Y C 2.600 178.505 175.900 0.008 0.000 1.175 165 Y CA 1.804 59.940 58.100 0.061 0.000 1.134 165 Y CB -0.968 37.601 38.460 0.183 0.000 0.965 165 Y HN 0.257 nan 8.280 nan 0.000 0.498 166 C N 0.131 119.324 119.300 -0.178 0.000 2.375 166 C HA -0.304 4.155 4.460 -0.001 0.000 0.274 166 C C 2.603 177.548 174.990 -0.075 0.000 1.190 166 C CA 1.922 60.832 59.018 -0.180 0.000 1.775 166 C CB -1.717 25.988 27.740 -0.059 0.000 2.067 166 C HN 0.696 nan 8.230 nan 0.000 0.463 167 H N -0.531 118.457 119.070 -0.136 0.000 2.423 167 H HA -0.149 4.407 4.556 -0.001 0.000 0.297 167 H C 2.386 177.508 175.328 -0.343 0.000 1.075 167 H CA 1.058 57.002 56.048 -0.174 0.000 1.342 167 H CB -0.177 29.520 29.762 -0.108 0.000 1.395 167 H HN 0.635 nan 8.280 nan 0.000 0.530 168 Q N 0.923 120.618 119.800 -0.175 0.000 2.197 168 Q HA -0.124 4.216 4.340 -0.001 0.000 0.207 168 Q C 1.102 176.833 176.000 -0.449 0.000 0.984 168 Q CA 1.098 56.726 55.803 -0.292 0.000 0.869 168 Q CB 0.105 28.769 28.738 -0.122 0.000 0.906 168 Q HN 0.447 nan 8.270 nan 0.000 0.426 169 K N -0.297 119.910 120.400 -0.323 0.000 2.493 169 K HA 0.092 4.411 4.320 -0.001 0.000 0.207 169 K C -0.581 176.039 176.600 0.033 0.000 1.033 169 K CA -0.193 56.008 56.287 -0.144 0.000 1.161 169 K CB 0.385 32.789 32.500 -0.160 0.000 0.873 169 K HN 0.085 nan 8.250 nan 0.000 0.491 170 F N -0.093 119.853 119.950 -0.007 0.000 3.069 170 F HA -0.250 4.277 4.527 -0.001 0.000 0.285 170 F C 0.075 175.872 175.800 -0.004 0.000 0.827 170 F CA 0.179 58.175 58.000 -0.007 0.000 1.108 170 F CB -2.100 36.892 39.000 -0.013 0.000 1.252 170 F HN 0.056 nan 8.300 nan 0.000 0.483 171 I N 0.425 121.053 120.570 0.096 0.000 2.353 171 I HA 0.454 4.623 4.170 -0.001 0.000 0.293 171 I C 0.152 176.356 176.117 0.145 0.000 0.992 171 I CA -1.005 60.348 61.300 0.088 0.000 1.268 171 I CB 1.334 39.356 38.000 0.038 0.000 1.387 171 I HN -0.023 nan 8.210 nan 0.000 0.478 172 V N 3.463 123.443 119.914 0.110 0.000 2.384 172 V HA 0.363 4.482 4.120 -0.001 0.000 0.287 172 V C 0.997 177.181 176.094 0.150 0.000 1.020 172 V CA -0.420 61.970 62.300 0.150 0.000 0.850 172 V CB 1.214 33.066 31.823 0.049 0.000 0.987 172 V HN 0.833 nan 8.190 nan 0.000 0.436 173 H N 5.083 124.218 119.070 0.108 0.000 2.491 173 H HA -0.033 4.522 4.556 -0.001 0.000 0.290 173 H C 2.041 177.410 175.328 0.069 0.000 1.050 173 H CA 2.091 58.175 56.048 0.061 0.000 1.309 173 H CB 0.267 30.048 29.762 0.032 0.000 1.392 173 H HN 1.206 nan 8.280 nan 0.000 0.554 174 R N 0.338 121.000 120.500 0.270 0.000 4.052 174 R HA -0.285 4.054 4.340 -0.001 0.000 0.436 174 R C 0.695 177.168 176.300 0.289 0.000 0.976 174 R CA 2.333 58.574 56.100 0.234 0.000 1.625 174 R CB -2.865 27.530 30.300 0.158 0.000 2.267 174 R HN 0.611 nan 8.270 nan 0.000 0.525 175 D N -0.915 119.715 120.400 0.384 0.000 2.586 175 D HA 0.476 5.116 4.640 -0.001 0.000 0.254 175 D C -0.719 175.676 176.300 0.158 0.000 1.248 175 D CA -0.550 53.608 54.000 0.263 0.000 0.843 175 D CB 0.232 41.137 40.800 0.175 0.000 1.332 175 D HN 0.238 nan 8.370 nan 0.000 0.523 176 L N 2.268 123.454 121.223 -0.060 0.000 2.343 176 L HA 0.641 4.980 4.340 -0.001 0.000 0.275 176 L C 0.327 176.918 176.870 -0.465 0.000 1.056 176 L CA -0.159 54.474 54.840 -0.346 0.000 0.804 176 L CB 1.338 43.208 42.059 -0.316 0.000 1.203 176 L HN 0.394 nan 8.230 nan 0.000 0.440 177 K N 0.512 120.577 120.400 -0.558 0.000 2.533 177 K HA 0.565 4.884 4.320 -0.001 0.000 0.284 177 K C 0.073 176.379 176.600 -0.490 0.000 1.025 177 K CA -0.514 55.246 56.287 -0.878 0.000 0.900 177 K CB 1.659 33.881 32.500 -0.463 0.000 1.519 177 K HN 0.450 nan 8.250 nan 0.000 0.432 178 A N 0.673 123.306 122.820 -0.311 0.000 2.132 178 A HA 0.020 4.339 4.320 -0.001 0.000 0.213 178 A C 1.872 179.420 177.584 -0.059 0.000 1.154 178 A CA 1.451 53.437 52.037 -0.086 0.000 0.753 178 A CB -0.649 18.383 19.000 0.053 0.000 0.826 178 A HN 0.802 nan 8.150 nan 0.000 0.469 179 E N 0.463 120.623 120.200 -0.066 0.000 2.268 179 E HA -0.188 4.161 4.350 -0.001 0.000 0.195 179 E C 1.456 178.027 176.600 -0.048 0.000 0.995 179 E CA 1.374 57.754 56.400 -0.035 0.000 0.836 179 E CB -1.110 28.581 29.700 -0.014 0.000 0.763 179 E HN 0.842 nan 8.360 nan 0.000 0.491 180 N N -1.136 117.509 118.700 -0.090 0.000 2.461 180 N HA 0.165 4.905 4.740 -0.001 0.000 0.188 180 N C -0.278 175.185 175.510 -0.080 0.000 1.134 180 N CA -0.119 52.885 53.050 -0.076 0.000 0.878 180 N CB 0.087 38.501 38.487 -0.122 0.000 0.972 180 N HN 0.302 nan 8.380 nan 0.000 0.456 181 L N 1.818 122.993 121.223 -0.081 0.000 2.294 181 L HA 0.445 4.784 4.340 -0.001 0.000 0.283 181 L C -0.644 176.193 176.870 -0.055 0.000 1.015 181 L CA -0.437 54.357 54.840 -0.076 0.000 0.831 181 L CB 1.269 43.280 42.059 -0.079 0.000 1.217 181 L HN -0.049 nan 8.230 nan 0.000 0.420 182 L N 3.565 124.754 121.223 -0.057 0.000 2.299 182 L HA 0.679 5.019 4.340 -0.001 0.000 0.268 182 L C -0.524 176.311 176.870 -0.057 0.000 1.012 182 L CA -0.914 53.894 54.840 -0.053 0.000 0.816 182 L CB 1.728 43.749 42.059 -0.063 0.000 1.355 182 L HN 0.401 nan 8.230 nan 0.000 0.457 183 L N -0.154 121.035 121.223 -0.056 0.000 2.354 183 L HA 0.449 4.788 4.340 -0.001 0.000 0.264 183 L C -1.100 175.724 176.870 -0.076 0.000 1.008 183 L CA -0.847 53.965 54.840 -0.047 0.000 0.819 183 L CB 2.098 44.156 42.059 -0.002 0.000 1.339 183 L HN 0.624 nan 8.230 nan 0.000 0.420 184 D N 0.920 121.284 120.400 -0.059 0.000 2.539 184 D HA 0.389 5.028 4.640 -0.001 0.000 0.276 184 D C 1.072 177.344 176.300 -0.045 0.000 1.206 184 D CA -0.148 53.806 54.000 -0.076 0.000 1.081 184 D CB 0.607 41.381 40.800 -0.044 0.000 1.142 184 D HN 0.496 nan 8.370 nan 0.000 0.595 185 A N -0.447 122.352 122.820 -0.035 0.000 1.940 185 A HA -0.218 4.101 4.320 -0.001 0.000 0.221 185 A C 0.967 178.558 177.584 0.011 0.000 1.190 185 A CA 2.085 54.120 52.037 -0.004 0.000 0.647 185 A CB -0.782 18.224 19.000 0.011 0.000 0.821 185 A HN 0.583 nan 8.150 nan 0.000 0.457 186 D N -1.991 118.416 120.400 0.012 0.000 2.615 186 D HA 0.369 5.009 4.640 -0.001 0.000 0.236 186 D C 0.164 176.477 176.300 0.022 0.000 1.233 186 D CA -0.188 53.824 54.000 0.020 0.000 0.829 186 D CB 0.474 41.286 40.800 0.020 0.000 1.024 186 D HN 0.167 nan 8.370 nan 0.000 0.490 187 M N 0.319 119.936 119.600 0.027 0.000 2.612 187 M HA -0.238 4.242 4.480 -0.001 0.000 0.194 187 M C -0.666 175.630 176.300 -0.006 0.000 0.530 187 M CA 0.167 55.485 55.300 0.029 0.000 0.548 187 M CB -1.811 30.837 32.600 0.080 0.000 2.013 187 M HN 0.049 nan 8.290 nan 0.000 0.711 188 N N 0.513 119.208 118.700 -0.010 0.000 2.524 188 N HA 0.343 5.082 4.740 -0.001 0.000 0.283 188 N C 0.264 175.754 175.510 -0.035 0.000 1.142 188 N CA -0.540 52.498 53.050 -0.019 0.000 0.984 188 N CB 0.916 39.397 38.487 -0.010 0.000 1.155 188 N HN 0.187 nan 8.380 nan 0.000 0.467 189 I N 1.712 122.256 120.570 -0.043 0.000 2.710 189 I HA -0.020 4.150 4.170 -0.001 0.000 0.286 189 I C 0.607 176.688 176.117 -0.059 0.000 1.181 189 I CA 0.667 61.932 61.300 -0.058 0.000 1.430 189 I CB -0.218 37.741 38.000 -0.068 0.000 1.367 189 I HN 0.194 nan 8.210 nan 0.000 0.577 190 K N 7.473 127.834 120.400 -0.065 0.000 2.578 190 K HA 0.522 4.842 4.320 -0.001 0.000 0.250 190 K C -0.638 175.922 176.600 -0.067 0.000 0.955 190 K CA -0.529 55.721 56.287 -0.062 0.000 0.825 190 K CB 2.386 34.853 32.500 -0.055 0.000 1.151 190 K HN 0.423 nan 8.250 nan 0.000 0.432 191 I N 1.949 122.474 120.570 -0.075 0.000 2.472 191 I HA 0.356 4.525 4.170 -0.001 0.000 0.290 191 I C 0.631 176.734 176.117 -0.024 0.000 1.016 191 I CA -0.511 60.750 61.300 -0.065 0.000 1.348 191 I CB 1.579 39.524 38.000 -0.092 0.000 1.417 191 I HN 0.593 nan 8.210 nan 0.000 0.521 212 S N 1.164 116.955 115.700 0.152 0.000 2.535 212 S HA 0.255 4.724 4.470 -0.001 0.000 0.214 212 S C -0.458 174.294 174.600 0.252 0.000 0.980 212 S CA 1.104 59.424 58.200 0.200 0.000 0.907 212 S CB 0.170 63.427 63.200 0.096 0.000 0.790 212 S HN 0.274 nan 8.310 nan 0.000 0.510 213 P HA 0.110 nan 4.420 nan 0.000 0.217 213 P C -1.637 175.789 177.300 0.210 0.000 1.151 213 P CA 1.030 64.238 63.100 0.181 0.000 0.828 213 P CB -1.128 30.671 31.700 0.165 0.000 0.788 214 P HA -0.096 nan 4.420 nan 0.000 0.230 214 P C 0.663 177.954 177.300 -0.016 0.000 1.158 214 P CA 1.105 64.238 63.100 0.054 0.000 0.769 214 P CB -0.541 31.100 31.700 -0.098 0.000 0.807 215 Y N -0.422 120.005 120.300 0.211 0.000 2.511 215 Y HA 0.286 4.836 4.550 -0.001 0.000 0.279 215 Y C 1.476 177.578 175.900 0.336 0.000 1.157 215 Y CA -0.375 57.876 58.100 0.251 0.000 1.300 215 Y CB -0.809 37.744 38.460 0.156 0.000 1.052 215 Y HN -0.152 nan 8.280 nan 0.000 0.529 216 A N 1.144 124.165 122.820 0.334 0.000 2.440 216 A HA 0.582 4.901 4.320 -0.001 0.000 0.251 216 A C 0.600 178.184 177.584 -0.001 0.000 1.089 216 A CA -0.159 51.988 52.037 0.183 0.000 0.779 216 A CB -0.161 18.797 19.000 -0.070 0.000 1.022 216 A HN 0.322 nan 8.150 nan 0.000 0.492 217 A N 3.985 126.727 122.820 -0.130 0.000 2.406 217 A HA 0.518 4.837 4.320 -0.001 0.000 0.243 217 A C -1.242 175.934 177.584 -0.679 0.000 1.082 217 A CA -0.983 50.524 52.037 -0.884 0.000 0.786 217 A CB -0.362 18.284 19.000 -0.590 0.000 1.029 217 A HN 0.612 nan 8.150 nan 0.000 0.495 218 P HA -0.252 nan 4.420 nan 0.000 0.215 218 P C 1.346 178.510 177.300 -0.227 0.000 1.163 218 P CA 1.848 64.669 63.100 -0.466 0.000 0.894 218 P CB -0.032 31.368 31.700 -0.500 0.000 0.791 219 E N 0.034 120.101 120.200 -0.222 0.000 2.233 219 E HA -0.235 4.115 4.350 -0.001 0.000 0.199 219 E C 1.928 178.542 176.600 0.024 0.000 1.004 219 E CA 1.202 57.551 56.400 -0.086 0.000 0.819 219 E CB -1.508 28.121 29.700 -0.117 0.000 0.738 219 E HN 0.213 nan 8.360 nan 0.000 0.478 220 L N 0.275 121.526 121.223 0.047 0.000 2.079 220 L HA -0.144 4.196 4.340 -0.001 0.000 0.210 220 L C 1.844 178.485 176.870 -0.380 0.000 1.081 220 L CA 1.648 56.315 54.840 -0.288 0.000 0.752 220 L CB -0.427 41.181 42.059 -0.752 0.000 0.896 220 L HN -0.009 nan 8.230 nan 0.000 0.433 221 F N -1.571 118.343 119.950 -0.061 0.000 2.660 221 F HA 0.242 4.769 4.527 -0.001 0.000 0.302 221 F C 1.829 177.594 175.800 -0.059 0.000 1.103 221 F CA 0.001 57.959 58.000 -0.070 0.000 1.340 221 F CB -0.275 38.672 39.000 -0.088 0.000 1.048 221 F HN 0.185 nan 8.300 nan 0.000 0.551 222 Q N 0.114 119.961 119.800 0.079 0.000 2.159 222 Q HA 0.286 4.625 4.340 -0.001 0.000 0.217 222 Q C 1.629 177.642 176.000 0.023 0.000 0.818 222 Q CA 0.365 56.193 55.803 0.043 0.000 1.008 222 Q CB 0.187 28.932 28.738 0.011 0.000 1.148 222 Q HN 0.341 nan 8.270 nan 0.000 0.491 223 G N -0.203 108.608 108.800 0.018 0.000 2.225 223 G HA2 -0.393 3.566 3.960 -0.001 0.000 0.272 223 G HA3 -0.393 3.566 3.960 -0.001 0.000 0.272 223 G C 0.416 175.320 174.900 0.006 0.000 0.996 223 G CA 0.897 46.000 45.100 0.004 0.000 0.710 223 G HN 0.694 nan 8.290 nan 0.000 0.522 224 K N -0.262 120.143 120.400 0.009 0.000 2.180 224 K HA 0.652 4.971 4.320 -0.001 0.000 0.251 224 K C 0.728 177.343 176.600 0.026 0.000 1.014 224 K CA 0.414 56.704 56.287 0.006 0.000 0.913 224 K CB 0.210 32.703 32.500 -0.012 0.000 1.008 224 K HN 0.474 nan 8.250 nan 0.000 0.490 225 K N -0.052 120.356 120.400 0.014 0.000 2.436 225 K HA 0.129 4.449 4.320 -0.001 0.000 0.275 225 K C -0.514 176.115 176.600 0.048 0.000 0.999 225 K CA 0.629 56.933 56.287 0.029 0.000 0.980 225 K CB 0.111 32.614 32.500 0.006 0.000 0.919 225 K HN 0.629 nan 8.250 nan 0.000 0.484 226 Y N 3.220 123.486 120.300 -0.057 0.000 2.557 226 Y HA 0.121 4.670 4.550 -0.002 0.000 0.352 226 Y C -0.113 175.764 175.900 -0.039 0.000 0.918 226 Y CA -0.163 57.899 58.100 -0.064 0.000 1.232 226 Y CB 0.132 38.540 38.460 -0.086 0.000 1.235 226 Y HN 0.772 nan 8.280 nan 0.000 0.596 227 D N -1.757 118.625 120.400 -0.030 0.000 2.455 227 D HA 0.167 4.806 4.640 -0.001 0.000 0.228 227 D C 1.147 177.422 176.300 -0.043 0.000 1.070 227 D CA 0.287 54.285 54.000 -0.003 0.000 0.881 227 D CB 0.369 41.178 40.800 0.015 0.000 1.087 227 D HN 0.431 nan 8.370 nan 0.000 0.498 228 G N 1.691 110.436 108.800 -0.092 0.000 2.535 228 G HA2 0.335 4.295 3.960 -0.001 0.000 0.303 228 G HA3 0.335 4.295 3.960 -0.001 0.000 0.303 228 G C -1.589 173.236 174.900 -0.124 0.000 1.237 228 G CA -0.961 44.085 45.100 -0.091 0.000 0.986 228 G HN -0.148 nan 8.290 nan 0.000 0.494 229 P HA -0.073 nan 4.420 nan 0.000 0.226 229 P C 1.268 178.527 177.300 -0.067 0.000 1.153 229 P CA 0.943 63.847 63.100 -0.327 0.000 0.777 229 P CB 0.241 31.506 31.700 -0.725 0.000 0.794 230 E N 0.410 120.588 120.200 -0.038 0.000 2.338 230 E HA -0.071 4.278 4.350 -0.001 0.000 0.197 230 E C 1.875 178.513 176.600 0.063 0.000 1.007 230 E CA 0.580 57.008 56.400 0.046 0.000 0.849 230 E CB -1.662 28.053 29.700 0.026 0.000 0.774 230 E HN 0.102 nan 8.360 nan 0.000 0.506 231 V N 2.454 122.341 119.914 -0.045 0.000 2.255 231 V HA -0.266 3.854 4.120 -0.001 0.000 0.247 231 V C 1.894 178.070 176.094 0.137 0.000 1.051 231 V CA 2.380 64.630 62.300 -0.082 0.000 1.018 231 V CB -0.559 31.104 31.823 -0.266 0.000 0.641 231 V HN 0.168 nan 8.190 nan 0.000 0.445 232 D N -0.280 120.223 120.400 0.172 0.000 2.178 232 D HA -0.126 4.513 4.640 -0.001 0.000 0.201 232 D C 2.105 178.547 176.300 0.236 0.000 0.980 232 D CA 1.160 55.292 54.000 0.221 0.000 0.842 232 D CB -0.237 40.758 40.800 0.325 0.000 0.948 232 D HN 0.331 nan 8.370 nan 0.000 0.472 233 V N 0.712 120.806 119.914 0.299 0.000 2.358 233 V HA -0.177 3.942 4.120 -0.001 0.000 0.246 233 V C 2.163 178.501 176.094 0.407 0.000 1.047 233 V CA 1.191 63.729 62.300 0.397 0.000 1.035 233 V CB -0.432 31.608 31.823 0.362 0.000 0.658 233 V HN 0.387 nan 8.190 nan 0.000 0.452 234 W N 1.183 122.594 121.300 0.184 0.000 2.332 234 W HA -0.245 4.414 4.660 -0.001 0.000 0.321 234 W C 2.595 179.177 176.519 0.104 0.000 1.219 234 W CA 2.314 59.751 57.345 0.153 0.000 1.277 234 W CB -0.712 28.803 29.460 0.091 0.000 1.161 234 W HN 0.309 nan 8.180 nan 0.000 0.476 235 S N 1.299 117.204 115.700 0.342 0.000 2.381 235 S HA -0.260 4.210 4.470 -0.001 0.000 0.230 235 S C 1.766 176.381 174.600 0.025 0.000 1.052 235 S CA 1.886 60.237 58.200 0.252 0.000 1.068 235 S CB -0.898 62.451 63.200 0.249 0.000 0.918 235 S HN 0.136 nan 8.310 nan 0.000 0.448 236 L N 1.549 122.717 121.223 -0.091 0.000 2.043 236 L HA -0.116 4.223 4.340 -0.001 0.000 0.212 236 L C 2.613 179.117 176.870 -0.610 0.000 1.075 236 L CA 2.005 56.674 54.840 -0.285 0.000 0.752 236 L CB -2.025 39.803 42.059 -0.385 0.000 0.891 236 L HN 0.416 nan 8.230 nan 0.000 0.432 237 G N -0.952 107.375 108.800 -0.789 0.000 2.514 237 G HA2 -0.256 3.703 3.960 -0.001 0.000 0.217 237 G HA3 -0.256 3.703 3.960 -0.001 0.000 0.217 237 G C 1.683 176.270 174.900 -0.521 0.000 1.198 237 G CA 1.390 46.072 45.100 -0.698 0.000 0.780 237 G HN 0.312 nan 8.290 nan 0.000 0.565 238 V N 1.148 120.810 119.914 -0.420 0.000 2.392 238 V HA -0.166 3.953 4.120 -0.001 0.000 0.249 238 V C 2.778 178.775 176.094 -0.162 0.000 1.059 238 V CA 1.594 63.697 62.300 -0.328 0.000 1.051 238 V CB -0.430 31.257 31.823 -0.227 0.000 0.658 238 V HN 0.409 nan 8.190 nan 0.000 0.455 239 I N -0.708 119.828 120.570 -0.056 0.000 2.252 239 I HA -0.231 3.939 4.170 -0.001 0.000 0.245 239 I C 2.432 178.432 176.117 -0.196 0.000 1.102 239 I CA 1.381 62.689 61.300 0.014 0.000 1.385 239 I CB -0.281 37.767 38.000 0.081 0.000 1.064 239 I HN 0.276 nan 8.210 nan 0.000 0.414 240 L N -0.080 120.853 121.223 -0.484 0.000 2.012 240 L HA -0.307 4.033 4.340 -0.001 0.000 0.210 240 L C 2.742 179.312 176.870 -0.500 0.000 1.073 240 L CA 1.995 56.331 54.840 -0.841 0.000 0.748 240 L CB -0.497 40.896 42.059 -1.110 0.000 0.891 240 L HN 0.264 nan 8.230 nan 0.000 0.431 241 Y N 0.881 120.871 120.300 -0.517 0.000 2.224 241 Y HA -0.284 4.265 4.550 -0.001 0.000 0.289 241 Y C 2.833 178.554 175.900 -0.299 0.000 1.146 241 Y CA 2.307 60.147 58.100 -0.432 0.000 1.182 241 Y CB -0.374 37.775 38.460 -0.518 0.000 0.983 241 Y HN 0.388 nan 8.280 nan 0.000 0.524 242 T N -2.134 112.434 114.554 0.022 0.000 2.985 242 T HA -0.088 4.262 4.350 -0.001 0.000 0.266 242 T C 1.980 176.643 174.700 -0.062 0.000 1.076 242 T CA 1.087 63.203 62.100 0.027 0.000 1.135 242 T CB -0.764 68.134 68.868 0.049 0.000 0.890 242 T HN 0.380 nan 8.240 nan 0.000 0.480 243 L N 1.363 122.517 121.223 -0.116 0.000 2.079 243 L HA -0.020 4.320 4.340 -0.001 0.000 0.210 243 L C 2.848 179.639 176.870 -0.132 0.000 1.081 243 L CA 1.531 56.299 54.840 -0.120 0.000 0.752 243 L CB -0.511 41.465 42.059 -0.139 0.000 0.896 243 L HN 0.407 nan 8.230 nan 0.000 0.433 244 V N -3.996 115.796 119.914 -0.203 0.000 3.621 244 V HA 0.081 4.200 4.120 -0.001 0.000 0.263 244 V C 1.935 177.945 176.094 -0.141 0.000 1.272 244 V CA 0.945 63.145 62.300 -0.167 0.000 1.080 244 V CB 0.673 32.397 31.823 -0.165 0.000 0.816 244 V HN 0.420 nan 8.190 nan 0.000 0.451 245 S N -0.435 115.138 115.700 -0.212 0.000 2.512 245 S HA 0.359 4.828 4.470 -0.001 0.000 0.216 245 S C 1.838 176.422 174.600 -0.028 0.000 1.006 245 S CA 0.753 58.885 58.200 -0.113 0.000 0.915 245 S CB 0.317 63.288 63.200 -0.382 0.000 0.824 245 S HN 1.817 nan 8.310 nan 0.000 0.497 246 G N 1.410 110.186 108.800 -0.041 0.000 2.187 246 G HA2 -0.257 3.703 3.960 -0.001 0.000 0.261 246 G HA3 -0.257 3.703 3.960 -0.001 0.000 0.261 246 G C 0.137 175.060 174.900 0.039 0.000 1.000 246 G CA 0.621 45.724 45.100 0.004 0.000 0.718 246 G HN 1.575 nan 8.290 nan 0.000 0.519 247 S N -1.731 114.009 115.700 0.068 0.000 2.607 247 S HA 0.776 5.245 4.470 -0.001 0.000 0.273 247 S C -0.498 174.181 174.600 0.132 0.000 1.148 247 S CA -1.179 57.077 58.200 0.093 0.000 0.833 247 S CB 1.866 65.123 63.200 0.095 0.000 1.130 247 S HN 0.732 nan 8.310 nan 0.000 0.470 248 L N 1.167 122.389 121.223 -0.002 0.000 2.417 248 L HA 0.400 4.740 4.340 -0.001 0.000 0.268 248 L C -1.697 174.913 176.870 -0.434 0.000 1.158 248 L CA -1.674 53.056 54.840 -0.183 0.000 0.819 248 L CB 0.009 41.955 42.059 -0.188 0.000 1.112 248 L HN 0.478 nan 8.230 nan 0.000 0.458 249 P HA -0.027 nan 4.420 nan 0.000 0.220 249 P C -0.429 176.227 177.300 -1.073 0.000 1.152 249 P CA 1.005 63.144 63.100 -1.601 0.000 0.812 249 P CB 0.232 30.568 31.700 -2.273 0.000 0.792 250 F N -0.226 119.574 119.950 -0.250 0.000 2.445 250 F HA 0.432 4.959 4.527 -0.001 0.000 0.348 250 F C 0.598 176.354 175.800 -0.073 0.000 1.125 250 F CA -0.933 57.012 58.000 -0.092 0.000 0.983 250 F CB 0.969 39.966 39.000 -0.005 0.000 1.198 250 F HN -0.227 nan 8.300 nan 0.000 0.436 251 D N 0.679 121.137 120.400 0.096 0.000 2.707 251 D HA 0.801 5.440 4.640 -0.001 0.000 0.223 251 D C 0.028 176.362 176.300 0.056 0.000 1.208 251 D CA 0.028 54.060 54.000 0.054 0.000 1.081 251 D CB 2.024 42.836 40.800 0.019 0.000 1.216 251 D HN 0.715 nan 8.370 nan 0.000 0.633 252 G N -0.290 108.531 108.800 0.036 0.000 2.375 252 G HA2 -0.040 3.920 3.960 -0.001 0.000 0.663 252 G HA3 -0.040 3.920 3.960 -0.001 0.000 0.663 252 G C -0.573 174.339 174.900 0.020 0.000 1.391 252 G CA -0.413 44.701 45.100 0.024 0.000 0.949 252 G HN 0.328 nan 8.290 nan 0.000 0.646 253 Q N -0.369 119.440 119.800 0.014 0.000 2.320 253 Q HA 0.243 4.582 4.340 -0.001 0.000 0.201 253 Q C 0.780 176.786 176.000 0.011 0.000 0.910 253 Q CA 0.874 56.686 55.803 0.014 0.000 0.946 253 Q CB 0.181 28.926 28.738 0.012 0.000 1.062 253 Q HN 0.770 nan 8.270 nan 0.000 0.503 254 N N -3.296 115.406 118.700 0.004 0.000 2.823 254 N HA 0.155 4.894 4.740 -0.001 0.000 0.251 254 N C -0.479 175.021 175.510 -0.017 0.000 1.392 254 N CA -0.658 52.391 53.050 -0.002 0.000 0.864 254 N CB 0.357 38.838 38.487 -0.010 0.000 1.481 254 N HN -0.265 nan 8.380 nan 0.000 0.508 255 L N 0.244 121.455 121.223 -0.018 0.000 2.275 255 L HA 0.076 4.415 4.340 -0.001 0.000 0.215 255 L C 2.239 179.027 176.870 -0.137 0.000 1.119 255 L CA 1.424 56.234 54.840 -0.049 0.000 0.790 255 L CB -1.028 41.030 42.059 -0.001 0.000 0.919 255 L HN 0.812 nan 8.230 nan 0.000 0.443 256 K N -0.432 119.905 120.400 -0.104 0.000 2.155 256 K HA -0.127 4.192 4.320 -0.001 0.000 0.203 256 K C 1.857 178.369 176.600 -0.147 0.000 1.052 256 K CA 0.800 57.006 56.287 -0.135 0.000 0.948 256 K CB 0.309 32.758 32.500 -0.084 0.000 0.728 256 K HN 0.334 nan 8.250 nan 0.000 0.448 257 E N 1.005 121.146 120.200 -0.099 0.000 2.004 257 E HA -0.166 4.183 4.350 -0.001 0.000 0.192 257 E C 1.985 178.530 176.600 -0.091 0.000 0.987 257 E CA 0.527 56.884 56.400 -0.070 0.000 0.822 257 E CB -0.286 29.395 29.700 -0.031 0.000 0.779 257 E HN 0.171 nan 8.360 nan 0.000 0.458 258 L N 1.914 123.097 121.223 -0.068 0.000 2.149 258 L HA -0.312 4.027 4.340 -0.001 0.000 0.223 258 L C 2.421 179.170 176.870 -0.201 0.000 1.089 258 L CA 2.093 56.899 54.840 -0.056 0.000 0.800 258 L CB -0.777 41.280 42.059 -0.004 0.000 0.897 258 L HN 0.220 nan 8.230 nan 0.000 0.443 259 R N -0.282 119.947 120.500 -0.451 0.000 2.073 259 R HA -0.136 4.204 4.340 -0.001 0.000 0.229 259 R C 2.285 178.340 176.300 -0.408 0.000 1.120 259 R CA 1.702 57.309 56.100 -0.822 0.000 0.967 259 R CB -0.172 29.370 30.300 -1.263 0.000 0.862 259 R HN 0.581 nan 8.270 nan 0.000 0.436 260 E N 1.236 121.284 120.200 -0.254 0.000 2.110 260 E HA -0.216 4.133 4.350 -0.001 0.000 0.193 260 E C 2.013 178.554 176.600 -0.099 0.000 0.988 260 E CA 1.569 57.882 56.400 -0.146 0.000 0.804 260 E CB -0.423 29.221 29.700 -0.094 0.000 0.745 260 E HN 0.520 nan 8.360 nan 0.000 0.458 261 R N -0.621 119.834 120.500 -0.076 0.000 2.057 261 R HA 0.020 4.359 4.340 -0.001 0.000 0.229 261 R C 2.618 178.840 176.300 -0.130 0.000 1.136 261 R CA 1.221 57.330 56.100 0.016 0.000 0.952 261 R CB -0.585 29.799 30.300 0.140 0.000 0.848 261 R HN 0.318 nan 8.270 nan 0.000 0.430 262 V N 1.402 121.125 119.914 -0.318 0.000 2.282 262 V HA -0.271 3.848 4.120 -0.001 0.000 0.249 262 V C 2.248 178.142 176.094 -0.335 0.000 1.057 262 V CA 1.789 63.716 62.300 -0.620 0.000 1.032 262 V CB -0.374 31.294 31.823 -0.259 0.000 0.645 262 V HN 0.313 nan 8.190 nan 0.000 0.447 263 L N -0.411 120.706 121.223 -0.177 0.000 2.046 263 L HA -0.226 4.113 4.340 -0.001 0.000 0.208 263 L C 3.079 179.922 176.870 -0.045 0.000 1.077 263 L CA 2.045 56.827 54.840 -0.098 0.000 0.747 263 L CB -0.790 41.222 42.059 -0.079 0.000 0.896 263 L HN 0.412 nan 8.230 nan 0.000 0.432 264 R N 0.194 120.680 120.500 -0.023 0.000 2.073 264 R HA -0.050 4.289 4.340 -0.001 0.000 0.234 264 R C 2.006 178.364 176.300 0.097 0.000 1.134 264 R CA 1.773 57.893 56.100 0.034 0.000 0.952 264 R CB -1.675 28.651 30.300 0.044 0.000 0.850 264 R HN 0.582 nan 8.270 nan 0.000 0.433 265 G N -3.062 105.820 108.800 0.138 0.000 2.175 265 G HA2 0.126 4.085 3.960 -0.001 0.000 0.244 265 G HA3 0.126 4.085 3.960 -0.001 0.000 0.244 265 G C 0.533 175.742 174.900 0.514 0.000 0.982 265 G CA 1.218 46.518 45.100 0.333 0.000 0.641 265 G HN 1.303 nan 8.290 nan 0.000 0.527 266 K N -0.423 120.185 120.400 0.347 0.000 2.118 266 K HA 0.854 5.174 4.320 -0.001 0.000 0.264 266 K C -0.291 176.465 176.600 0.260 0.000 1.000 266 K CA 0.149 56.538 56.287 0.169 0.000 0.929 266 K CB 0.763 33.278 32.500 0.025 0.000 1.021 266 K HN 1.703 nan 8.250 nan 0.000 0.463 267 Y N -3.293 117.025 120.300 0.031 0.000 2.597 267 Y HA 0.721 5.270 4.550 -0.001 0.000 0.340 267 Y C 0.164 176.028 175.900 -0.059 0.000 1.097 267 Y CA -1.436 56.581 58.100 -0.138 0.000 1.037 267 Y CB 0.646 38.810 38.460 -0.493 0.000 1.305 267 Y HN 0.802 nan 8.280 nan 0.000 0.463 268 R N 1.732 122.303 120.500 0.117 0.000 2.442 268 R HA 0.581 4.920 4.340 -0.001 0.000 0.291 268 R C -0.848 175.555 176.300 0.170 0.000 1.069 268 R CA -0.250 55.904 56.100 0.090 0.000 1.022 268 R CB -0.598 29.746 30.300 0.074 0.000 0.976 268 R HN 0.776 nan 8.270 nan 0.000 0.443 269 I N 5.288 125.873 120.570 0.025 0.000 2.301 269 I HA 0.241 4.410 4.170 -0.001 0.000 0.292 269 I C -1.720 174.305 176.117 -0.153 0.000 1.046 269 I CA -1.791 59.494 61.300 -0.024 0.000 1.282 269 I CB 1.685 39.651 38.000 -0.057 0.000 1.409 269 I HN 0.602 nan 8.210 nan 0.000 0.484 270 P HA 0.022 nan 4.420 nan 0.000 0.269 270 P C 0.585 177.480 177.300 -0.676 0.000 1.215 270 P CA -0.265 62.462 63.100 -0.621 0.000 0.780 270 P CB 0.344 31.317 31.700 -1.210 0.000 0.898 271 F N 0.413 120.080 119.950 -0.472 0.000 2.293 271 F HA -0.127 4.399 4.527 -0.001 0.000 0.300 271 F C 1.773 177.454 175.800 -0.199 0.000 1.086 271 F CA 0.586 58.444 58.000 -0.238 0.000 1.375 271 F CB -1.695 37.240 39.000 -0.109 0.000 1.045 271 F HN 0.292 nan 8.300 nan 0.000 0.516 272 Y N -0.427 119.400 120.300 -0.788 0.000 2.475 272 Y HA 0.250 4.799 4.550 -0.001 0.000 0.289 272 Y C 1.469 177.232 175.900 -0.228 0.000 1.121 272 Y CA -1.236 56.570 58.100 -0.491 0.000 1.257 272 Y CB -1.325 36.743 38.460 -0.652 0.000 1.026 272 Y HN 0.127 nan 8.280 nan 0.000 0.555 273 M N 3.061 122.481 119.600 -0.300 0.000 2.290 273 M HA 0.004 4.483 4.480 -0.001 0.000 0.356 273 M C 0.540 176.823 176.300 -0.027 0.000 1.448 273 M CA 0.418 55.652 55.300 -0.109 0.000 0.993 273 M CB 0.370 32.819 32.600 -0.251 0.000 1.934 273 M HN 0.523 nan 8.290 nan 0.000 0.461 274 S N 3.025 118.749 115.700 0.040 0.000 2.568 274 S HA 0.044 4.514 4.470 -0.001 0.000 0.282 274 S C 1.307 175.926 174.600 0.031 0.000 1.338 274 S CA -0.055 58.186 58.200 0.069 0.000 1.045 274 S CB 1.010 64.304 63.200 0.157 0.000 0.873 274 S HN 0.865 nan 8.310 nan 0.000 0.516 275 T N -0.432 114.147 114.554 0.042 0.000 2.833 275 T HA -0.146 4.203 4.350 -0.001 0.000 0.269 275 T C 1.126 175.851 174.700 0.042 0.000 1.054 275 T CA 1.504 63.621 62.100 0.029 0.000 1.135 275 T CB -0.651 68.237 68.868 0.033 0.000 0.869 275 T HN 0.634 nan 8.240 nan 0.000 0.466 276 D N 0.463 120.921 120.400 0.098 0.000 2.097 276 D HA -0.071 4.569 4.640 -0.001 0.000 0.195 276 D C 2.404 178.735 176.300 0.052 0.000 0.989 276 D CA 1.102 55.194 54.000 0.154 0.000 0.827 276 D CB -0.902 40.079 40.800 0.301 0.000 0.966 276 D HN 0.478 nan 8.370 nan 0.000 0.456 277 C N 1.397 120.653 119.300 -0.074 0.000 2.393 277 C HA -0.157 4.302 4.460 -0.001 0.000 0.276 277 C C 2.525 177.317 174.990 -0.329 0.000 1.215 277 C CA 1.177 59.863 59.018 -0.553 0.000 1.743 277 C CB -0.821 26.656 27.740 -0.439 0.000 2.044 277 C HN 0.308 nan 8.230 nan 0.000 0.464 278 E N 0.390 120.502 120.200 -0.146 0.000 2.153 278 E HA -0.186 4.163 4.350 -0.001 0.000 0.194 278 E C 1.979 178.570 176.600 -0.016 0.000 0.988 278 E CA 1.023 57.388 56.400 -0.058 0.000 0.811 278 E CB -0.783 28.904 29.700 -0.021 0.000 0.746 278 E HN 0.737 nan 8.360 nan 0.000 0.466 279 N N 0.597 119.286 118.700 -0.019 0.000 2.188 279 N HA -0.120 4.620 4.740 -0.001 0.000 0.184 279 N C 2.196 177.702 175.510 -0.006 0.000 1.018 279 N CA 0.471 53.525 53.050 0.006 0.000 0.858 279 N CB -0.091 38.412 38.487 0.026 0.000 0.989 279 N HN 0.246 nan 8.380 nan 0.000 0.426 280 L N 1.101 122.302 121.223 -0.037 0.000 2.027 280 L HA -0.121 4.219 4.340 -0.001 0.000 0.206 280 L C 2.365 179.246 176.870 0.018 0.000 1.074 280 L CA 0.796 55.618 54.840 -0.030 0.000 0.745 280 L CB -0.377 41.654 42.059 -0.046 0.000 0.898 280 L HN 0.228 nan 8.230 nan 0.000 0.433 281 L N -0.055 121.158 121.223 -0.017 0.000 1.997 281 L HA -0.344 3.996 4.340 -0.001 0.000 0.216 281 L C 2.619 179.539 176.870 0.084 0.000 1.074 281 L CA 1.716 56.575 54.840 0.031 0.000 0.763 281 L CB -0.509 41.516 42.059 -0.056 0.000 0.890 281 L HN 0.257 nan 8.230 nan 0.000 0.434 282 K N -0.118 120.334 120.400 0.087 0.000 2.173 282 K HA -0.259 4.060 4.320 -0.001 0.000 0.207 282 K C 2.056 178.675 176.600 0.032 0.000 1.046 282 K CA 1.608 57.948 56.287 0.088 0.000 0.929 282 K CB -0.054 32.489 32.500 0.072 0.000 0.720 282 K HN 0.126 nan 8.250 nan 0.000 0.453 283 K N -0.859 119.509 120.400 -0.055 0.000 2.366 283 K HA -0.027 4.292 4.320 -0.001 0.000 0.198 283 K C 1.375 177.847 176.600 -0.213 0.000 1.044 283 K CA 0.857 57.044 56.287 -0.166 0.000 0.973 283 K CB 0.122 32.435 32.500 -0.312 0.000 0.767 283 K HN 0.018 nan 8.250 nan 0.000 0.475 284 F N -0.123 119.821 119.950 -0.010 0.000 2.315 284 F HA 0.180 4.706 4.527 -0.001 0.000 0.284 284 F C 0.793 176.545 175.800 -0.081 0.000 1.049 284 F CA 0.326 58.305 58.000 -0.034 0.000 1.323 284 F CB 0.145 39.083 39.000 -0.104 0.000 1.113 284 F HN -0.213 nan 8.300 nan 0.000 0.544 285 L N 1.862 123.102 121.223 0.028 0.000 2.648 285 L HA 0.243 4.582 4.340 -0.001 0.000 0.238 285 L C -0.884 176.073 176.870 0.145 0.000 1.316 285 L CA 0.021 54.673 54.840 -0.313 0.000 1.241 285 L CB -0.715 41.056 42.059 -0.479 0.000 1.499 285 L HN 0.013 nan 8.230 nan 0.000 0.411 286 I N 0.570 121.345 120.570 0.342 0.000 2.328 286 I HA 0.083 4.253 4.170 -0.001 0.000 0.287 286 I C 1.288 177.655 176.117 0.417 0.000 1.012 286 I CA -0.408 61.088 61.300 0.327 0.000 1.195 286 I CB 1.653 39.769 38.000 0.193 0.000 1.350 286 I HN 0.376 nan 8.210 nan 0.000 0.464 287 L N 4.111 125.562 121.223 0.379 0.000 2.011 287 L HA -0.258 4.081 4.340 -0.001 0.000 0.225 287 L C 1.235 178.154 176.870 0.082 0.000 1.084 287 L CA 1.679 56.644 54.840 0.208 0.000 0.791 287 L CB -0.539 41.596 42.059 0.127 0.000 0.898 287 L HN 0.678 nan 8.230 nan 0.000 0.440 288 N N 0.108 118.859 118.700 0.086 0.000 2.431 288 N HA 0.015 4.754 4.740 -0.001 0.000 0.265 288 N C -1.756 173.782 175.510 0.046 0.000 1.184 288 N CA -1.087 51.989 53.050 0.043 0.000 0.943 288 N CB 1.275 39.787 38.487 0.041 0.000 1.080 288 N HN -0.124 nan 8.380 nan 0.000 0.477 289 P HA -0.184 nan 4.420 nan 0.000 0.215 289 P C 0.797 178.109 177.300 0.020 0.000 1.157 289 P CA 1.318 64.420 63.100 0.002 0.000 0.874 289 P CB 0.100 31.770 31.700 -0.050 0.000 0.790 290 S N -1.211 114.496 115.700 0.011 0.000 2.561 290 S HA 0.023 4.492 4.470 -0.001 0.000 0.225 290 S C 1.304 175.919 174.600 0.025 0.000 0.977 290 S CA 0.537 58.746 58.200 0.014 0.000 0.926 290 S CB -0.742 62.462 63.200 0.006 0.000 0.769 290 S HN 0.210 nan 8.310 nan 0.000 0.533 291 K N 1.013 121.435 120.400 0.037 0.000 2.469 291 K HA 0.213 4.532 4.320 -0.001 0.000 0.201 291 K C 0.123 176.754 176.600 0.053 0.000 1.028 291 K CA -0.068 56.244 56.287 0.042 0.000 1.170 291 K CB 0.259 32.787 32.500 0.046 0.000 0.874 291 K HN 0.294 nan 8.250 nan 0.000 0.507 292 R N 0.758 121.294 120.500 0.060 0.000 2.368 292 R HA 0.206 4.545 4.340 -0.001 0.000 0.302 292 R C 0.491 176.816 176.300 0.042 0.000 1.002 292 R CA -0.503 55.642 56.100 0.074 0.000 0.929 292 R CB 1.360 31.735 30.300 0.125 0.000 1.073 292 R HN 0.103 nan 8.270 nan 0.000 0.464 293 G N 1.248 110.052 108.800 0.006 0.000 2.647 293 G HA2 -0.019 3.940 3.960 -0.001 0.000 0.234 293 G HA3 -0.019 3.940 3.960 -0.001 0.000 0.234 293 G C 0.327 175.239 174.900 0.020 0.000 1.252 293 G CA -0.253 44.836 45.100 -0.019 0.000 0.846 293 G HN 0.615 nan 8.290 nan 0.000 0.589 294 T N -0.686 113.882 114.554 0.022 0.000 2.874 294 T HA 0.320 4.670 4.350 -0.001 0.000 0.281 294 T C 1.676 176.407 174.700 0.051 0.000 0.994 294 T CA -0.845 61.289 62.100 0.056 0.000 1.015 294 T CB 1.100 69.997 68.868 0.048 0.000 1.028 294 T HN 0.252 nan 8.240 nan 0.000 0.523 295 L N 0.086 121.368 121.223 0.098 0.000 2.201 295 L HA 0.011 4.350 4.340 -0.001 0.000 0.212 295 L C 2.943 179.836 176.870 0.038 0.000 1.105 295 L CA 1.323 56.208 54.840 0.075 0.000 0.775 295 L CB -0.589 41.513 42.059 0.072 0.000 0.913 295 L HN 0.886 nan 8.230 nan 0.000 0.440 296 E N 0.354 120.578 120.200 0.039 0.000 2.085 296 E HA -0.278 4.072 4.350 -0.001 0.000 0.194 296 E C 2.161 178.770 176.600 0.015 0.000 0.994 296 E CA 1.438 57.854 56.400 0.027 0.000 0.801 296 E CB 0.129 29.845 29.700 0.027 0.000 0.743 296 E HN 0.510 nan 8.360 nan 0.000 0.453 297 Q N 0.041 119.845 119.800 0.006 0.000 2.083 297 Q HA -0.075 4.264 4.340 -0.001 0.000 0.198 297 Q C 2.274 178.261 176.000 -0.022 0.000 0.969 297 Q CA 1.380 57.179 55.803 -0.007 0.000 0.838 297 Q CB -0.004 28.726 28.738 -0.013 0.000 0.900 297 Q HN 0.389 nan 8.270 nan 0.000 0.436 298 I N 0.120 120.661 120.570 -0.047 0.000 2.361 298 I HA -0.255 3.914 4.170 -0.001 0.000 0.251 298 I C 2.191 178.307 176.117 -0.002 0.000 1.133 298 I CA 1.059 62.304 61.300 -0.091 0.000 1.413 298 I CB -0.365 37.502 38.000 -0.223 0.000 1.073 298 I HN 0.349 nan 8.210 nan 0.000 0.424 299 M N 0.679 120.289 119.600 0.017 0.000 2.260 299 M HA -0.213 4.266 4.480 -0.001 0.000 0.261 299 M C 1.859 178.179 176.300 0.033 0.000 1.066 299 M CA 1.783 57.102 55.300 0.031 0.000 1.082 299 M CB -0.144 32.468 32.600 0.020 0.000 1.388 299 M HN 0.096 nan 8.290 nan 0.000 0.419 300 K N 0.085 120.500 120.400 0.025 0.000 2.487 300 K HA -0.037 4.282 4.320 -0.001 0.000 0.192 300 K C 0.377 177.002 176.600 0.042 0.000 1.027 300 K CA 0.127 56.430 56.287 0.027 0.000 1.054 300 K CB -0.334 32.176 32.500 0.017 0.000 0.824 300 K HN 0.453 nan 8.250 nan 0.000 0.510 301 D N 0.917 121.354 120.400 0.061 0.000 2.344 301 D HA -0.037 4.602 4.640 -0.001 0.000 0.244 301 D C 0.964 177.336 176.300 0.121 0.000 1.134 301 D CA -0.102 53.949 54.000 0.085 0.000 0.930 301 D CB 1.380 42.233 40.800 0.088 0.000 1.175 301 D HN -0.178 nan 8.370 nan 0.000 0.437 302 R N 2.478 123.055 120.500 0.127 0.000 2.081 302 R HA -0.145 4.194 4.340 -0.001 0.000 0.235 302 R C 2.093 178.494 176.300 0.169 0.000 1.131 302 R CA 1.805 57.979 56.100 0.124 0.000 0.960 302 R CB -1.103 29.261 30.300 0.108 0.000 0.856 302 R HN 0.737 nan 8.270 nan 0.000 0.436 303 W N 0.045 121.380 121.300 0.058 0.000 2.381 303 W HA -0.121 4.539 4.660 -0.001 0.000 0.301 303 W C 1.552 178.129 176.519 0.098 0.000 1.205 303 W CA 1.279 58.666 57.345 0.070 0.000 1.285 303 W CB -0.059 29.442 29.460 0.068 0.000 1.133 303 W HN 0.030 nan 8.180 nan 0.000 0.521 304 M N 0.727 120.561 119.600 0.390 0.000 2.144 304 M HA -0.236 4.243 4.480 -0.001 0.000 0.260 304 M C 1.115 177.414 176.300 -0.003 0.000 1.067 304 M CA 1.621 57.061 55.300 0.234 0.000 1.095 304 M CB -1.606 31.143 32.600 0.248 0.000 1.365 304 M HN 0.104 nan 8.290 nan 0.000 0.406 305 N N 0.048 118.761 118.700 0.023 0.000 2.280 305 N HA 0.068 4.807 4.740 -0.001 0.000 0.192 305 N C -0.236 175.301 175.510 0.045 0.000 1.109 305 N CA 0.055 53.126 53.050 0.036 0.000 0.855 305 N CB 0.768 39.283 38.487 0.047 0.000 0.974 305 N HN 0.127 nan 8.380 nan 0.000 0.482 306 V N 1.079 120.958 119.914 -0.058 0.000 2.434 306 V HA 0.184 4.303 4.120 -0.001 0.000 0.281 306 V C 1.396 177.441 176.094 -0.082 0.000 1.005 306 V CA 0.873 63.118 62.300 -0.091 0.000 1.089 306 V CB 0.029 31.735 31.823 -0.195 0.000 0.978 306 V HN 0.577 nan 8.190 nan 0.000 0.474 307 G N 4.078 112.820 108.800 -0.096 0.000 2.168 307 G HA2 -0.171 3.788 3.960 -0.001 0.000 0.197 307 G HA3 -0.171 3.788 3.960 -0.001 0.000 0.197 307 G C 0.180 174.821 174.900 -0.431 0.000 0.997 307 G CA -0.069 44.894 45.100 -0.229 0.000 0.658 307 G HN 0.778 nan 8.290 nan 0.000 0.513 308 H N -0.223 118.810 119.070 -0.062 0.000 2.767 308 H HA 0.251 4.807 4.556 -0.001 0.000 0.235 308 H C 1.273 176.583 175.328 -0.031 0.000 1.256 308 H CA 0.078 56.100 56.048 -0.044 0.000 0.957 308 H CB 0.632 30.366 29.762 -0.046 0.000 2.117 308 H HN 0.443 nan 8.280 nan 0.000 0.602 309 E N 0.320 120.536 120.200 0.026 0.000 2.204 309 E HA -0.117 4.232 4.350 -0.001 0.000 0.195 309 E C 1.202 177.818 176.600 0.027 0.000 0.990 309 E CA 0.847 57.261 56.400 0.024 0.000 0.821 309 E CB 0.306 30.006 29.700 0.001 0.000 0.750 309 E HN 0.275 nan 8.360 nan 0.000 0.477 310 D N -0.152 120.262 120.400 0.024 0.000 2.355 310 D HA -0.060 4.579 4.640 -0.001 0.000 0.218 310 D C 0.188 176.511 176.300 0.038 0.000 1.004 310 D CA 0.713 54.727 54.000 0.024 0.000 0.880 310 D CB 0.279 41.086 40.800 0.011 0.000 0.911 310 D HN 0.050 nan 8.370 nan 0.000 0.528 311 D N 0.193 120.634 120.400 0.068 0.000 2.865 311 D HA -0.032 4.607 4.640 -0.001 0.000 0.347 311 D C -0.399 175.937 176.300 0.061 0.000 1.498 311 D CA -0.342 53.709 54.000 0.086 0.000 0.787 311 D CB -0.036 40.866 40.800 0.169 0.000 1.190 311 D HN -0.053 nan 8.370 nan 0.000 0.445 312 E N 0.896 121.119 120.200 0.038 0.000 2.529 312 E HA -0.026 4.324 4.350 -0.001 0.000 0.259 312 E C -0.161 176.431 176.600 -0.015 0.000 0.966 312 E CA -0.426 55.982 56.400 0.014 0.000 0.937 312 E CB 0.489 30.199 29.700 0.017 0.000 0.923 312 E HN 0.223 nan 8.360 nan 0.000 0.468 313 L N 4.083 125.277 121.223 -0.048 0.000 2.485 313 L HA 0.287 4.627 4.340 -0.001 0.000 0.275 313 L C -0.119 176.745 176.870 -0.011 0.000 1.207 313 L CA 1.220 56.030 54.840 -0.050 0.000 0.855 313 L CB 0.178 42.197 42.059 -0.066 0.000 1.114 313 L HN 0.648 nan 8.230 nan 0.000 0.485 314 K N 4.327 124.729 120.400 0.004 0.000 2.509 314 K HA 0.761 5.080 4.320 -0.001 0.000 0.266 314 K C -2.828 173.798 176.600 0.042 0.000 0.987 314 K CA -1.445 54.853 56.287 0.018 0.000 0.868 314 K CB 0.201 32.707 32.500 0.010 0.000 1.421 314 K HN 0.511 nan 8.250 nan 0.000 0.444 315 P HA 0.002 nan 4.420 nan 0.000 0.261 315 P C -0.711 176.662 177.300 0.121 0.000 1.183 315 P CA 0.075 63.233 63.100 0.096 0.000 0.761 315 P CB -0.191 31.554 31.700 0.075 0.000 0.785 316 Y N 4.599 124.912 120.300 0.022 0.000 2.717 316 Y HA 0.062 4.611 4.550 -0.001 0.000 0.330 316 Y C -0.144 175.747 175.900 -0.014 0.000 1.217 316 Y CA 0.262 58.327 58.100 -0.059 0.000 1.506 316 Y CB 0.302 38.656 38.460 -0.177 0.000 1.268 316 Y HN 0.101 nan 8.280 nan 0.000 0.561 317 V N 7.749 127.355 119.914 -0.514 0.000 2.364 317 V HA 0.102 4.221 4.120 -0.001 0.000 0.272 317 V C 0.033 175.601 176.094 -0.877 0.000 1.036 317 V CA -0.928 61.088 62.300 -0.473 0.000 0.880 317 V CB 1.046 32.699 31.823 -0.283 0.000 0.991 317 V HN 0.787 nan 8.190 nan 0.000 0.460 318 E N 7.274 127.164 120.200 -0.518 0.000 2.465 318 E HA 0.096 4.445 4.350 -0.001 0.000 0.260 318 E C -2.005 174.432 176.600 -0.271 0.000 0.980 318 E CA -0.961 55.215 56.400 -0.372 0.000 0.927 318 E CB 0.659 30.371 29.700 0.019 0.000 0.934 318 E HN 0.518 nan 8.360 nan 0.000 0.459 319 P HA 0.079 nan 4.420 nan 0.000 0.276 319 P C -0.724 176.526 177.300 -0.082 0.000 1.244 319 P CA -0.207 62.812 63.100 -0.135 0.000 0.801 319 P CB 0.655 32.300 31.700 -0.092 0.000 1.006 320 L N 3.003 124.173 121.223 -0.089 0.000 2.416 320 L HA 0.216 4.555 4.340 -0.001 0.000 0.272 320 L C -1.607 175.178 176.870 -0.143 0.000 1.161 320 L CA -1.721 53.060 54.840 -0.099 0.000 0.845 320 L CB -0.777 41.224 42.059 -0.095 0.000 1.119 320 L HN 0.299 nan 8.230 nan 0.000 0.464 321 P HA -0.081 nan 4.420 nan 0.000 0.259 321 P C -0.901 176.098 177.300 -0.502 0.000 1.163 321 P CA 0.303 63.123 63.100 -0.467 0.000 0.760 321 P CB 0.276 31.556 31.700 -0.700 0.000 0.762 322 D N 2.696 122.881 120.400 -0.359 0.000 2.434 322 D HA 0.121 4.761 4.640 -0.001 0.000 0.275 322 D C -0.425 175.922 176.300 0.078 0.000 1.172 322 D CA -0.459 53.455 54.000 -0.144 0.000 0.916 322 D CB 0.022 40.812 40.800 -0.016 0.000 1.041 322 D HN 0.161 nan 8.370 nan 0.000 0.501 323 Y N 1.197 121.504 120.300 0.011 0.000 2.461 323 Y HA 0.245 4.795 4.550 -0.001 0.000 0.277 323 Y C 1.239 177.054 175.900 -0.143 0.000 1.182 323 Y CA -0.112 57.899 58.100 -0.149 0.000 1.276 323 Y CB 0.420 38.761 38.460 -0.199 0.000 1.087 323 Y HN 0.155 nan 8.280 nan 0.000 0.519 324 K N 0.224 120.712 120.400 0.147 0.000 2.592 324 K HA 0.091 4.410 4.320 -0.001 0.000 0.203 324 K C -0.521 176.165 176.600 0.143 0.000 1.070 324 K CA -0.132 56.217 56.287 0.104 0.000 1.062 324 K CB 0.535 33.066 32.500 0.053 0.000 0.814 324 K HN 0.160 nan 8.250 nan 0.000 0.502 325 D N 3.387 123.931 120.400 0.240 0.000 2.389 325 D HA -0.006 4.633 4.640 -0.001 0.000 0.263 325 D C -1.134 175.243 176.300 0.127 0.000 1.255 325 D CA -1.335 52.753 54.000 0.146 0.000 0.914 325 D CB 1.172 42.027 40.800 0.091 0.000 1.116 325 D HN -0.039 nan 8.370 nan 0.000 0.502 326 P HA -0.192 nan 4.420 nan 0.000 0.218 326 P C 1.413 178.742 177.300 0.049 0.000 1.149 326 P CA 0.833 63.969 63.100 0.059 0.000 0.817 326 P CB 0.171 31.893 31.700 0.037 0.000 0.785 327 R N 0.574 121.092 120.500 0.029 0.000 2.115 327 R HA -0.154 4.185 4.340 -0.001 0.000 0.239 327 R C 2.516 178.828 176.300 0.020 0.000 1.133 327 R CA 1.921 58.028 56.100 0.012 0.000 0.935 327 R CB -0.297 29.995 30.300 -0.013 0.000 0.853 327 R HN 0.067 nan 8.270 nan 0.000 0.433 328 R N -1.014 119.495 120.500 0.015 0.000 2.115 328 R HA -0.016 4.324 4.340 -0.001 0.000 0.226 328 R C 2.303 178.670 176.300 0.111 0.000 1.100 328 R CA 1.631 57.740 56.100 0.015 0.000 0.980 328 R CB -0.165 30.055 30.300 -0.134 0.000 0.875 328 R HN 0.308 nan 8.270 nan 0.000 0.445 329 T N 0.869 115.514 114.554 0.151 0.000 2.746 329 T HA -0.170 4.179 4.350 -0.001 0.000 0.267 329 T C 1.613 176.372 174.700 0.098 0.000 1.039 329 T CA 1.611 63.794 62.100 0.139 0.000 1.142 329 T CB -0.132 68.807 68.868 0.119 0.000 0.866 329 T HN 0.265 nan 8.240 nan 0.000 0.444 330 E N 1.426 121.670 120.200 0.074 0.000 2.038 330 E HA -0.122 4.227 4.350 -0.001 0.000 0.195 330 E C 2.034 178.676 176.600 0.070 0.000 1.000 330 E CA 1.296 57.732 56.400 0.060 0.000 0.803 330 E CB -0.665 29.060 29.700 0.042 0.000 0.750 330 E HN 0.493 nan 8.360 nan 0.000 0.448 331 L N -0.297 120.967 121.223 0.068 0.000 2.043 331 L HA -0.206 4.134 4.340 -0.001 0.000 0.212 331 L C 2.745 179.686 176.870 0.119 0.000 1.075 331 L CA 1.533 56.417 54.840 0.073 0.000 0.752 331 L CB -0.609 41.485 42.059 0.058 0.000 0.891 331 L HN 0.256 nan 8.230 nan 0.000 0.432 332 M N -0.987 118.709 119.600 0.159 0.000 2.394 332 M HA -0.103 4.376 4.480 -0.001 0.000 0.264 332 M C 2.246 178.720 176.300 0.290 0.000 1.073 332 M CA 0.868 56.342 55.300 0.290 0.000 1.111 332 M CB -0.245 32.476 32.600 0.202 0.000 1.401 332 M HN 0.092 nan 8.290 nan 0.000 0.448 333 V N 0.407 120.418 119.914 0.162 0.000 2.307 333 V HA -0.238 3.881 4.120 -0.001 0.000 0.245 333 V C 2.568 178.705 176.094 0.071 0.000 1.045 333 V CA 2.230 64.600 62.300 0.116 0.000 1.024 333 V CB -0.989 30.878 31.823 0.074 0.000 0.651 333 V HN 0.579 nan 8.190 nan 0.000 0.449 334 S N 0.281 116.014 115.700 0.056 0.000 2.368 334 S HA -0.243 4.226 4.470 -0.001 0.000 0.225 334 S C 1.939 176.534 174.600 -0.008 0.000 1.030 334 S CA 1.723 59.935 58.200 0.020 0.000 0.999 334 S CB -0.717 62.493 63.200 0.017 0.000 0.844 334 S HN 0.505 nan 8.310 nan 0.000 0.459 335 M N 1.214 120.820 119.600 0.009 0.000 2.521 335 M HA 0.012 4.491 4.480 -0.001 0.000 0.260 335 M C 1.609 177.766 176.300 -0.238 0.000 1.068 335 M CA 1.147 56.399 55.300 -0.081 0.000 1.060 335 M CB -0.894 31.705 32.600 -0.002 0.000 1.398 335 M HN 0.736 nan 8.290 nan 0.000 0.473 336 G N -0.567 108.142 108.800 -0.152 0.000 2.131 336 G HA2 -0.224 3.735 3.960 -0.001 0.000 0.201 336 G HA3 -0.224 3.735 3.960 -0.001 0.000 0.201 336 G C -0.502 174.301 174.900 -0.162 0.000 1.000 336 G CA -0.689 44.316 45.100 -0.158 0.000 0.680 336 G HN 0.394 nan 8.290 nan 0.000 0.514 337 Y N 0.801 121.105 120.300 0.007 0.000 2.352 337 Y HA 0.629 5.178 4.550 -0.001 0.000 0.326 337 Y C 1.115 177.017 175.900 0.003 0.000 1.166 337 Y CA -0.087 58.017 58.100 0.006 0.000 1.182 337 Y CB 1.615 40.083 38.460 0.014 0.000 1.216 337 Y HN 0.256 nan 8.280 nan 0.000 0.474 338 T N 1.607 116.269 114.554 0.181 0.000 2.799 338 T HA 0.274 4.623 4.350 -0.001 0.000 0.286 338 T C 1.224 175.961 174.700 0.062 0.000 0.973 338 T CA -0.770 61.384 62.100 0.090 0.000 1.035 338 T CB 0.871 69.773 68.868 0.056 0.000 0.932 338 T HN 0.733 nan 8.240 nan 0.000 0.469 339 R N 1.838 122.363 120.500 0.042 0.000 2.196 339 R HA -0.197 4.142 4.340 -0.001 0.000 0.259 339 R C 2.053 178.345 176.300 -0.013 0.000 1.154 339 R CA 2.235 58.342 56.100 0.013 0.000 0.976 339 R CB -0.420 29.889 30.300 0.015 0.000 0.888 339 R HN 0.788 nan 8.270 nan 0.000 0.453 340 E N 0.567 120.766 120.200 -0.002 0.000 2.021 340 E HA -0.231 4.119 4.350 -0.001 0.000 0.200 340 E C 2.001 178.581 176.600 -0.033 0.000 1.015 340 E CA 2.081 58.473 56.400 -0.012 0.000 0.824 340 E CB -0.191 29.510 29.700 0.002 0.000 0.762 340 E HN 0.641 nan 8.360 nan 0.000 0.454 341 E N 0.525 120.714 120.200 -0.019 0.000 2.072 341 E HA -0.138 4.211 4.350 -0.001 0.000 0.191 341 E C 2.388 178.927 176.600 -0.103 0.000 0.985 341 E CA 0.868 57.246 56.400 -0.036 0.000 0.801 341 E CB -0.589 29.119 29.700 0.014 0.000 0.750 341 E HN 0.183 nan 8.360 nan 0.000 0.452 342 I N 1.559 122.057 120.570 -0.120 0.000 2.145 342 I HA -0.370 3.799 4.170 -0.001 0.000 0.244 342 I C 2.871 178.823 176.117 -0.275 0.000 1.075 342 I CA 1.991 63.158 61.300 -0.222 0.000 1.332 342 I CB -0.320 37.566 38.000 -0.190 0.000 1.033 342 I HN 0.172 nan 8.210 nan 0.000 0.410 343 Q N 0.786 120.472 119.800 -0.190 0.000 2.079 343 Q HA -0.206 4.133 4.340 -0.001 0.000 0.200 343 Q C 1.728 177.609 176.000 -0.198 0.000 0.974 343 Q CA 1.804 57.498 55.803 -0.182 0.000 0.840 343 Q CB -0.106 28.580 28.738 -0.086 0.000 0.898 343 Q HN 0.435 nan 8.270 nan 0.000 0.430 344 D N -0.485 119.828 120.400 -0.145 0.000 2.084 344 D HA -0.122 4.517 4.640 -0.001 0.000 0.194 344 D C 1.984 178.181 176.300 -0.172 0.000 0.990 344 D CA 1.746 55.674 54.000 -0.121 0.000 0.826 344 D CB -0.350 40.405 40.800 -0.075 0.000 0.971 344 D HN 0.251 nan 8.370 nan 0.000 0.453 345 S N 0.655 116.238 115.700 -0.194 0.000 2.370 345 S HA -0.120 4.349 4.470 -0.001 0.000 0.226 345 S C 2.282 176.680 174.600 -0.337 0.000 1.033 345 S CA 0.672 58.743 58.200 -0.215 0.000 1.011 345 S CB -0.328 62.750 63.200 -0.204 0.000 0.852 345 S HN 0.205 nan 8.310 nan 0.000 0.457 346 L N 0.931 121.861 121.223 -0.488 0.000 2.044 346 L HA -0.053 4.286 4.340 -0.001 0.000 0.205 346 L C 2.374 178.678 176.870 -0.942 0.000 1.075 346 L CA 0.835 55.175 54.840 -0.835 0.000 0.747 346 L CB -0.542 40.836 42.059 -1.134 0.000 0.903 346 L HN 0.192 nan 8.230 nan 0.000 0.435 347 V N -0.367 119.184 119.914 -0.606 0.000 2.379 347 V HA -0.121 3.999 4.120 -0.001 0.000 0.245 347 V C 2.412 178.402 176.094 -0.173 0.000 1.044 347 V CA 1.784 63.908 62.300 -0.293 0.000 1.036 347 V CB -1.201 30.573 31.823 -0.083 0.000 0.664 347 V HN 0.544 nan 8.190 nan 0.000 0.453 348 G N -1.155 107.543 108.800 -0.170 0.000 2.679 348 G HA2 -0.100 3.859 3.960 -0.001 0.000 0.212 348 G HA3 -0.100 3.859 3.960 -0.001 0.000 0.212 348 G C 0.709 175.558 174.900 -0.084 0.000 1.137 348 G CA 0.133 45.178 45.100 -0.093 0.000 0.787 348 G HN 0.469 nan 8.290 nan 0.000 0.534 349 Q N -0.839 118.860 119.800 -0.168 0.000 2.453 349 Q HA -0.191 4.149 4.340 -0.001 0.000 0.294 349 Q C 1.382 177.363 176.000 -0.032 0.000 1.295 349 Q CA 0.582 56.299 55.803 -0.142 0.000 0.853 349 Q CB -1.379 27.366 28.738 0.011 0.000 1.193 349 Q HN 0.600 nan 8.270 nan 0.000 0.461 350 R N -0.852 119.597 120.500 -0.084 0.000 2.236 350 R HA -0.050 4.290 4.340 -0.001 0.000 0.208 350 R C 0.244 176.623 176.300 0.133 0.000 1.036 350 R CA 0.509 56.620 56.100 0.019 0.000 1.001 350 R CB 0.064 30.349 30.300 -0.025 0.000 0.896 350 R HN 0.407 nan 8.270 nan 0.000 0.464 351 Y N 1.015 121.312 120.300 -0.006 0.000 3.875 351 Y HA -0.333 4.216 4.550 -0.001 0.000 0.216 351 Y C 0.610 176.536 175.900 0.044 0.000 1.148 351 Y CA 0.497 58.616 58.100 0.031 0.000 1.629 351 Y CB -2.415 36.067 38.460 0.036 0.000 1.506 351 Y HN 0.411 nan 8.280 nan 0.000 0.629 352 N N 0.602 119.363 118.700 0.103 0.000 2.328 352 N HA 0.112 4.851 4.740 -0.001 0.000 0.277 352 N C 1.251 176.821 175.510 0.100 0.000 1.286 352 N CA 0.236 53.343 53.050 0.095 0.000 0.949 352 N CB 0.106 38.623 38.487 0.050 0.000 1.136 352 N HN 0.450 nan 8.380 nan 0.000 0.550 353 E N -1.164 119.104 120.200 0.113 0.000 2.204 353 E HA -0.144 4.205 4.350 -0.001 0.000 0.195 353 E C 1.189 177.827 176.600 0.063 0.000 0.990 353 E CA 1.177 57.663 56.400 0.144 0.000 0.821 353 E CB -0.349 29.459 29.700 0.180 0.000 0.750 353 E HN 0.327 nan 8.360 nan 0.000 0.477 354 V N 1.048 120.939 119.914 -0.038 0.000 2.323 354 V HA -0.223 3.896 4.120 -0.001 0.000 0.244 354 V C 2.580 178.548 176.094 -0.211 0.000 1.041 354 V CA 1.943 64.056 62.300 -0.311 0.000 1.025 354 V CB -0.582 31.043 31.823 -0.330 0.000 0.656 354 V HN 0.317 nan 8.190 nan 0.000 0.451 355 M N 0.543 120.064 119.600 -0.132 0.000 2.065 355 M HA -0.176 4.304 4.480 -0.001 0.000 0.259 355 M C 2.306 178.603 176.300 -0.004 0.000 1.069 355 M CA 2.338 57.565 55.300 -0.121 0.000 1.110 355 M CB -0.424 32.047 32.600 -0.216 0.000 1.328 355 M HN 0.325 nan 8.290 nan 0.000 0.405 356 A N -0.113 122.741 122.820 0.058 0.000 1.909 356 A HA -0.273 4.046 4.320 -0.001 0.000 0.221 356 A C 2.106 179.664 177.584 -0.043 0.000 1.223 356 A CA 2.861 54.958 52.037 0.099 0.000 0.658 356 A CB -1.652 17.449 19.000 0.169 0.000 0.831 356 A HN 0.648 nan 8.150 nan 0.000 0.462 357 T N -2.020 112.509 114.554 -0.041 0.000 2.708 357 T HA -0.156 4.193 4.350 -0.001 0.000 0.266 357 T C 1.787 176.464 174.700 -0.039 0.000 1.037 357 T CA 1.600 63.669 62.100 -0.053 0.000 1.146 357 T CB -0.483 68.413 68.868 0.046 0.000 0.865 357 T HN 0.538 nan 8.240 nan 0.000 0.435 358 Y N 2.013 122.228 120.300 -0.143 0.000 2.081 358 Y HA -0.181 4.368 4.550 -0.001 0.000 0.280 358 Y C 2.074 177.933 175.900 -0.068 0.000 1.163 358 Y CA 1.280 59.316 58.100 -0.108 0.000 1.135 358 Y CB -0.638 37.745 38.460 -0.128 0.000 0.970 358 Y HN 0.117 nan 8.280 nan 0.000 0.498 359 L N -0.592 120.667 121.223 0.059 0.000 2.012 359 L HA -0.279 4.061 4.340 -0.001 0.000 0.210 359 L C 2.499 179.324 176.870 -0.075 0.000 1.073 359 L CA 1.530 56.387 54.840 0.027 0.000 0.748 359 L CB -0.739 41.474 42.059 0.257 0.000 0.891 359 L HN 0.300 nan 8.230 nan 0.000 0.431 360 L N -0.659 120.457 121.223 -0.177 0.000 2.201 360 L HA -0.175 4.164 4.340 -0.001 0.000 0.212 360 L C 2.348 179.180 176.870 -0.064 0.000 1.105 360 L CA 0.702 55.399 54.840 -0.239 0.000 0.775 360 L CB -0.231 41.507 42.059 -0.536 0.000 0.913 360 L HN 0.281 nan 8.230 nan 0.000 0.440 361 L N -0.254 120.901 121.223 -0.113 0.000 2.549 361 L HA -0.077 4.262 4.340 -0.001 0.000 0.229 361 L C 1.943 178.725 176.870 -0.147 0.000 1.158 361 L CA 0.466 55.248 54.840 -0.097 0.000 0.842 361 L CB -0.549 41.432 42.059 -0.130 0.000 0.952 361 L HN 0.275 nan 8.230 nan 0.000 0.452 362 G N -1.356 107.309 108.800 -0.225 0.000 3.332 362 G HA2 0.037 3.996 3.960 -0.001 0.000 0.242 362 G HA3 0.037 3.996 3.960 -0.001 0.000 0.242 362 G C -0.307 174.319 174.900 -0.457 0.000 1.276 362 G CA -0.013 44.863 45.100 -0.373 0.000 0.988 362 G HN 0.191 nan 8.290 nan 0.000 0.517 363 Y N 0.000 120.250 120.300 -0.083 0.000 2.660 363 Y HA 0.000 4.549 4.550 -0.001 0.000 0.201 363 Y CA 0.000 58.073 58.100 -0.044 0.000 1.940 363 Y CB 0.000 38.442 38.460 -0.029 0.000 1.050 363 Y HN 0.000 nan 8.280 nan 0.000 0.758