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 1s9i_1_B DATA FIRST_RESID 59 DATA SEQUENCE TQKAKVGELK DDDFERISEL GAGNGGVVTK VQHRPSGLIM ARKLIHLEIK DATA SEQUENCE PAIRNQIIRE LQVLHECNSP YIVGFYGAFY SDGEISICME HMDGGSLDQV DATA SEQUENCE LKEAKRIPEE ILGKVSIAVL RGLAYLREKH QIMHRDVKPS NILVNSRGEI DATA SEQUENCE KLCDFGVSGQ LIDSMXXXXX XTRSYMAPER LQGTHYSVQS DIWSMGLSLV DATA SEQUENCE ELAVGRYPIP PPDAKELEAI FGRXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXMAI FELLDYIVNE PPPKLPNGVF TPDFQEFVNK CLIKNPAERA DATA SEQUENCE DLKMLTNHTF IKRSEVEEVD FAGWLCKTLR L 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 59 T HA 0.000 nan 4.350 nan 0.000 0.228 59 T C 0.000 174.693 174.700 -0.011 0.000 1.109 59 T CA 0.000 62.092 62.100 -0.013 0.000 1.349 59 T CB 0.000 68.871 68.868 0.005 0.000 0.612 60 Q N 1.418 121.221 119.800 0.005 0.000 2.282 60 Q HA 0.357 4.697 4.340 -0.000 0.000 0.260 60 Q C 0.121 176.143 176.000 0.036 0.000 0.964 60 Q CA -0.875 54.934 55.803 0.008 0.000 0.880 60 Q CB 2.058 30.804 28.738 0.012 0.000 1.286 60 Q HN 0.870 nan 8.270 nan 0.000 0.445 61 K N 0.651 121.076 120.400 0.043 0.000 2.911 61 K HA 0.212 4.531 4.320 -0.000 0.000 0.239 61 K C 0.575 177.238 176.600 0.105 0.000 1.090 61 K CA 0.064 56.427 56.287 0.127 0.000 1.225 61 K CB -0.164 32.454 32.500 0.197 0.000 1.087 61 K HN 0.510 nan 8.250 nan 0.000 0.464 62 A N 2.285 125.143 122.820 0.063 0.000 2.070 62 A HA -0.203 4.117 4.320 -0.000 0.000 0.220 62 A C 1.960 179.575 177.584 0.052 0.000 1.159 62 A CA 1.117 53.181 52.037 0.044 0.000 0.656 62 A CB -0.360 18.658 19.000 0.029 0.000 0.800 62 A HN 0.639 nan 8.150 nan 0.000 0.453 63 K N 0.103 120.544 120.400 0.069 0.000 2.160 63 K HA -0.089 4.231 4.320 -0.000 0.000 0.206 63 K C 1.009 177.650 176.600 0.069 0.000 1.047 63 K CA 1.523 57.849 56.287 0.064 0.000 0.930 63 K CB -1.222 31.323 32.500 0.075 0.000 0.720 63 K HN 0.546 nan 8.250 nan 0.000 0.450 64 V N -2.832 117.138 119.914 0.095 0.000 3.302 64 V HA 0.821 4.941 4.120 -0.000 0.000 0.304 64 V C 0.533 176.671 176.094 0.073 0.000 1.209 64 V CA -0.272 62.091 62.300 0.105 0.000 1.032 64 V CB 1.251 33.142 31.823 0.113 0.000 1.219 64 V HN 0.263 nan 8.190 nan 0.000 0.469 65 G N -1.078 107.767 108.800 0.075 0.000 3.008 65 G HA2 0.342 4.302 3.960 -0.000 0.000 0.148 65 G HA3 0.342 4.302 3.960 -0.000 0.000 0.148 65 G C -0.800 174.123 174.900 0.039 0.000 1.184 65 G CA -0.611 44.514 45.100 0.040 0.000 1.087 65 G HN 0.756 nan 8.290 nan 0.000 0.602 66 E N 0.609 120.826 120.200 0.027 0.000 2.442 66 E HA 0.290 4.640 4.350 -0.000 0.000 0.262 66 E C -0.878 175.712 176.600 -0.015 0.000 1.004 66 E CA 0.384 56.795 56.400 0.018 0.000 0.928 66 E CB 1.041 30.747 29.700 0.010 0.000 0.937 66 E HN 0.289 nan 8.360 nan 0.000 0.446 67 L N 1.327 122.507 121.223 -0.072 0.000 2.362 67 L HA 0.534 4.874 4.340 -0.000 0.000 0.275 67 L C -0.114 176.465 176.870 -0.486 0.000 0.998 67 L CA -0.743 53.975 54.840 -0.203 0.000 0.820 67 L CB 1.076 43.051 42.059 -0.140 0.000 1.270 67 L HN 0.208 nan 8.230 nan 0.000 0.415 68 K N 0.531 120.656 120.400 -0.459 0.000 2.393 68 K HA 0.364 4.684 4.320 -0.000 0.000 0.241 68 K C 0.354 176.680 176.600 -0.457 0.000 1.055 68 K CA -0.538 55.449 56.287 -0.500 0.000 0.951 68 K CB 1.308 33.671 32.500 -0.228 0.000 1.285 68 K HN 0.697 nan 8.250 nan 0.000 0.500 69 D N 0.010 120.313 120.400 -0.162 0.000 2.103 69 D HA -0.124 4.516 4.640 -0.000 0.000 0.199 69 D C 0.482 176.859 176.300 0.129 0.000 0.978 69 D CA 1.689 55.784 54.000 0.158 0.000 0.829 69 D CB 0.182 41.118 40.800 0.228 0.000 0.981 69 D HN 0.527 nan 8.370 nan 0.000 0.464 70 D N 0.259 120.661 120.400 0.003 0.000 2.178 70 D HA -0.129 4.510 4.640 -0.000 0.000 0.201 70 D C 1.324 177.573 176.300 -0.084 0.000 0.980 70 D CA 0.812 54.801 54.000 -0.017 0.000 0.842 70 D CB -0.178 40.597 40.800 -0.041 0.000 0.948 70 D HN 0.298 nan 8.370 nan 0.000 0.472 71 D N -0.441 119.818 120.400 -0.235 0.000 2.354 71 D HA -0.088 4.551 4.640 -0.000 0.000 0.216 71 D C 0.036 176.101 176.300 -0.391 0.000 0.970 71 D CA 0.651 54.405 54.000 -0.410 0.000 0.905 71 D CB 0.079 40.508 40.800 -0.620 0.000 0.903 71 D HN 0.260 nan 8.370 nan 0.000 0.508 72 F N 0.400 120.371 119.950 0.036 0.000 2.397 72 F HA 0.275 4.802 4.527 -0.000 0.000 0.331 72 F C 0.796 176.606 175.800 0.017 0.000 1.090 72 F CA -0.743 57.286 58.000 0.048 0.000 1.065 72 F CB 1.607 40.652 39.000 0.075 0.000 1.184 72 F HN -0.343 nan 8.300 nan 0.000 0.499 73 E N 3.216 123.550 120.200 0.223 0.000 2.263 73 E HA 0.249 4.599 4.350 -0.000 0.000 0.268 73 E C -1.024 175.624 176.600 0.079 0.000 0.884 73 E CA -0.870 55.594 56.400 0.108 0.000 0.766 73 E CB 1.302 31.034 29.700 0.054 0.000 1.196 73 E HN 0.617 nan 8.360 nan 0.000 0.416 74 R N 4.286 124.817 120.500 0.052 0.000 2.489 74 R HA 0.183 4.523 4.340 -0.000 0.000 0.287 74 R C 0.777 177.081 176.300 0.008 0.000 1.053 74 R CA 0.405 56.519 56.100 0.023 0.000 1.036 74 R CB 0.635 30.946 30.300 0.018 0.000 0.966 74 R HN 0.601 nan 8.270 nan 0.000 0.432 75 I N -0.236 120.328 120.570 -0.010 0.000 3.565 75 I HA 0.026 4.195 4.170 -0.000 0.000 0.287 75 I C 0.783 176.889 176.117 -0.018 0.000 1.193 75 I CA 0.436 61.724 61.300 -0.020 0.000 1.402 75 I CB 0.530 38.505 38.000 -0.043 0.000 1.284 75 I HN 0.421 nan 8.210 nan 0.000 0.454 76 S N -0.584 115.104 115.700 -0.020 0.000 2.643 76 S HA 0.408 4.878 4.470 -0.000 0.000 0.270 76 S C -1.618 172.982 174.600 0.000 0.000 1.166 76 S CA -0.526 57.670 58.200 -0.007 0.000 0.815 76 S CB 1.729 64.927 63.200 -0.003 0.000 1.139 76 S HN 0.057 nan 8.310 nan 0.000 0.472 77 E N 1.161 121.368 120.200 0.011 0.000 2.151 77 E HA 0.544 4.894 4.350 -0.000 0.000 0.275 77 E C 0.019 176.636 176.600 0.027 0.000 0.936 77 E CA -0.172 56.237 56.400 0.015 0.000 0.777 77 E CB 1.235 30.944 29.700 0.014 0.000 1.108 77 E HN 0.521 nan 8.360 nan 0.000 0.401 78 L N 2.174 123.417 121.223 0.032 0.000 2.269 78 L HA 0.531 4.871 4.340 -0.000 0.000 0.200 78 L C 0.960 177.854 176.870 0.039 0.000 1.069 78 L CA 0.616 55.485 54.840 0.048 0.000 0.804 78 L CB 0.354 42.453 42.059 0.067 0.000 0.987 78 L HN 0.626 nan 8.230 nan 0.000 0.468 79 G N -1.163 107.656 108.800 0.031 0.000 2.368 79 G HA2 0.610 4.570 3.960 -0.000 0.000 0.293 79 G HA3 0.610 4.570 3.960 -0.000 0.000 0.293 79 G C -2.202 172.715 174.900 0.027 0.000 1.467 79 G CA 0.080 45.198 45.100 0.030 0.000 0.804 79 G HN 0.118 nan 8.290 nan 0.000 0.535 80 A N -1.030 121.809 122.820 0.032 0.000 2.475 80 A HA 1.028 5.348 4.320 -0.000 0.000 0.301 80 A C 0.212 177.821 177.584 0.041 0.000 1.059 80 A CA 0.263 52.324 52.037 0.041 0.000 0.710 80 A CB 1.845 20.874 19.000 0.049 0.000 1.288 80 A HN 2.231 nan 8.150 nan 0.000 0.408 81 G N -0.092 108.735 108.800 0.045 0.000 2.975 81 G HA2 0.443 4.403 3.960 -0.000 0.000 0.291 81 G HA3 0.443 4.403 3.960 -0.000 0.000 0.291 81 G C -0.979 173.956 174.900 0.060 0.000 1.334 81 G CA -0.733 44.393 45.100 0.044 0.000 0.843 81 G HN 0.588 nan 8.290 nan 0.000 0.548 82 N N 1.187 119.917 118.700 0.050 0.000 2.498 82 N HA 0.303 5.043 4.740 -0.000 0.000 0.277 82 N C 0.832 176.377 175.510 0.058 0.000 1.208 82 N CA 1.255 54.340 53.050 0.058 0.000 1.029 82 N CB 0.335 38.849 38.487 0.045 0.000 1.403 82 N HN 1.304 nan 8.380 nan 0.000 0.500 83 G N 0.928 109.804 108.800 0.127 0.000 2.545 83 G HA2 -0.015 3.945 3.960 -0.000 0.000 0.279 83 G HA3 -0.015 3.945 3.960 -0.000 0.000 0.279 83 G C 0.088 174.859 174.900 -0.215 0.000 1.131 83 G CA -0.320 44.825 45.100 0.074 0.000 1.100 83 G HN 0.827 nan 8.290 nan 0.000 0.525 84 G N -1.567 107.093 108.800 -0.234 0.000 2.299 84 G HA2 0.614 4.574 3.960 -0.000 0.000 0.312 84 G HA3 0.614 4.574 3.960 -0.000 0.000 0.312 84 G C -0.881 173.979 174.900 -0.067 0.000 1.654 84 G CA 0.210 45.161 45.100 -0.248 0.000 0.912 84 G HN 1.453 nan 8.290 nan 0.000 0.667 85 V N 1.242 121.114 119.914 -0.070 0.000 2.448 85 V HA 0.770 4.890 4.120 -0.000 0.000 0.295 85 V C 0.162 176.235 176.094 -0.036 0.000 1.025 85 V CA -0.990 61.310 62.300 0.000 0.000 0.859 85 V CB 1.582 33.437 31.823 0.053 0.000 0.988 85 V HN 0.736 nan 8.190 nan 0.000 0.431 86 V N 3.464 123.368 119.914 -0.017 0.000 2.513 86 V HA 0.803 4.923 4.120 -0.000 0.000 0.299 86 V C 0.135 176.224 176.094 -0.008 0.000 1.035 86 V CA -0.316 61.971 62.300 -0.021 0.000 0.889 86 V CB 1.908 33.729 31.823 -0.004 0.000 0.988 86 V HN 1.061 nan 8.190 nan 0.000 0.440 87 T N 1.193 115.732 114.554 -0.025 0.000 2.912 87 T HA 0.455 4.805 4.350 -0.000 0.000 0.299 87 T C -0.690 173.990 174.700 -0.035 0.000 1.052 87 T CA -0.898 61.189 62.100 -0.023 0.000 0.996 87 T CB 1.896 70.743 68.868 -0.035 0.000 1.070 87 T HN 0.549 nan 8.240 nan 0.000 0.465 88 K N 2.332 122.712 120.400 -0.033 0.000 2.383 88 K HA 0.452 4.772 4.320 -0.000 0.000 0.286 88 K C -0.133 176.412 176.600 -0.091 0.000 1.051 88 K CA -0.330 55.896 56.287 -0.101 0.000 0.974 88 K CB 0.117 32.529 32.500 -0.147 0.000 0.968 88 K HN 0.641 nan 8.250 nan 0.000 0.475 89 V N 0.750 120.606 119.914 -0.096 0.000 3.130 89 V HA 0.496 4.616 4.120 -0.000 0.000 0.310 89 V C -1.240 174.872 176.094 0.031 0.000 1.158 89 V CA -1.120 61.167 62.300 -0.022 0.000 1.029 89 V CB 1.851 33.653 31.823 -0.035 0.000 1.057 89 V HN 0.806 nan 8.190 nan 0.000 0.436 90 Q N 0.571 120.442 119.800 0.120 0.000 2.342 90 Q HA 0.431 4.771 4.340 -0.000 0.000 0.267 90 Q C -0.919 175.226 176.000 0.241 0.000 1.038 90 Q CA -0.666 55.210 55.803 0.121 0.000 0.832 90 Q CB 1.568 30.332 28.738 0.044 0.000 1.323 90 Q HN 1.009 nan 8.270 nan 0.000 0.448 91 H N 3.378 122.466 119.070 0.030 0.000 2.525 91 H HA 0.144 4.700 4.556 -0.000 0.000 0.339 91 H C 0.824 176.056 175.328 -0.161 0.000 1.109 91 H CA -0.362 55.597 56.048 -0.148 0.000 1.352 91 H CB 1.162 30.816 29.762 -0.179 0.000 1.461 91 H HN 0.652 nan 8.280 nan 0.000 0.533 92 R N 3.643 123.841 120.500 -0.504 0.000 2.075 92 R HA -0.082 4.258 4.340 -0.000 0.000 0.230 92 R C -0.926 175.155 176.300 -0.365 0.000 1.140 92 R CA 1.418 57.288 56.100 -0.383 0.000 0.928 92 R CB -1.329 28.748 30.300 -0.372 0.000 0.834 92 R HN 0.560 nan 8.270 nan 0.000 0.429 93 P HA -0.027 nan 4.420 nan 0.000 0.216 93 P C -0.239 176.968 177.300 -0.156 0.000 1.153 93 P CA 1.262 64.183 63.100 -0.299 0.000 0.858 93 P CB 0.114 31.625 31.700 -0.314 0.000 0.789 94 S N -1.207 114.427 115.700 -0.109 0.000 2.561 94 S HA 0.498 4.968 4.470 -0.000 0.000 0.303 94 S C 0.501 175.098 174.600 -0.006 0.000 1.110 94 S CA -0.625 57.564 58.200 -0.018 0.000 1.034 94 S CB 1.656 64.880 63.200 0.040 0.000 1.010 94 S HN 0.100 nan 8.310 nan 0.000 0.482 95 G N 2.732 111.526 108.800 -0.011 0.000 2.991 95 G HA2 0.301 4.261 3.960 -0.000 0.000 0.262 95 G HA3 0.301 4.261 3.960 -0.000 0.000 0.262 95 G C -0.289 174.616 174.900 0.009 0.000 0.765 95 G CA 0.102 45.199 45.100 -0.005 0.000 2.051 95 G HN 0.580 nan 8.290 nan 0.000 0.602 96 L N 1.377 122.607 121.223 0.011 0.000 2.296 96 L HA 0.424 4.764 4.340 -0.000 0.000 0.286 96 L C 0.002 176.856 176.870 -0.027 0.000 1.023 96 L CA -1.063 53.773 54.840 -0.007 0.000 0.812 96 L CB 1.876 43.898 42.059 -0.062 0.000 1.223 96 L HN 0.213 nan 8.230 nan 0.000 0.421 97 I N 4.230 124.793 120.570 -0.012 0.000 2.421 97 I HA 0.228 4.398 4.170 -0.000 0.000 0.291 97 I C 0.245 176.352 176.117 -0.017 0.000 1.089 97 I CA 0.204 61.469 61.300 -0.059 0.000 1.354 97 I CB -0.019 37.908 38.000 -0.122 0.000 1.413 97 I HN 0.488 nan 8.210 nan 0.000 0.513 98 M N 4.193 123.760 119.600 -0.056 0.000 2.464 98 M HA 0.856 5.336 4.480 -0.000 0.000 0.308 98 M C -0.706 175.597 176.300 0.004 0.000 1.127 98 M CA -0.949 54.360 55.300 0.015 0.000 0.913 98 M CB 2.041 34.515 32.600 -0.210 0.000 1.689 98 M HN 0.512 nan 8.290 nan 0.000 0.445 99 A N 2.773 125.664 122.820 0.117 0.000 2.409 99 A HA 0.496 4.816 4.320 -0.000 0.000 0.262 99 A C -0.256 177.305 177.584 -0.038 0.000 1.113 99 A CA -0.440 51.638 52.037 0.068 0.000 0.790 99 A CB 0.413 19.503 19.000 0.150 0.000 1.046 99 A HN 0.869 nan 8.150 nan 0.000 0.496 100 R N 2.088 122.522 120.500 -0.110 0.000 2.295 100 R HA 0.288 4.628 4.340 -0.000 0.000 0.324 100 R C -0.915 175.306 176.300 -0.133 0.000 0.968 100 R CA -0.380 55.603 56.100 -0.194 0.000 0.837 100 R CB 0.935 31.053 30.300 -0.304 0.000 1.133 100 R HN 0.733 nan 8.270 nan 0.000 0.450 101 K N 5.236 125.556 120.400 -0.133 0.000 2.299 101 K HA 0.231 4.551 4.320 -0.000 0.000 0.268 101 K C -0.543 175.953 176.600 -0.173 0.000 1.075 101 K CA -0.587 55.626 56.287 -0.123 0.000 0.936 101 K CB 0.558 33.002 32.500 -0.094 0.000 1.228 101 K HN 0.300 nan 8.250 nan 0.000 0.454 102 L N 6.041 127.163 121.223 -0.168 0.000 2.313 102 L HA 0.295 4.635 4.340 -0.000 0.000 0.282 102 L C -0.111 176.594 176.870 -0.274 0.000 1.092 102 L CA -0.110 54.614 54.840 -0.194 0.000 0.831 102 L CB 0.479 42.467 42.059 -0.118 0.000 1.159 102 L HN 0.617 nan 8.230 nan 0.000 0.442 103 I N 4.063 124.459 120.570 -0.290 0.000 2.405 103 I HA 0.155 4.324 4.170 -0.000 0.000 0.280 103 I C 0.443 176.382 176.117 -0.296 0.000 1.027 103 I CA -0.363 60.718 61.300 -0.366 0.000 1.161 103 I CB 0.526 38.386 38.000 -0.232 0.000 1.300 103 I HN 0.460 nan 8.210 nan 0.000 0.463 104 H N 6.399 125.431 119.070 -0.063 0.000 2.955 104 H HA 0.528 5.084 4.556 -0.000 0.000 0.290 104 H C -0.853 174.455 175.328 -0.033 0.000 1.047 104 H CA -0.531 55.484 56.048 -0.055 0.000 1.484 104 H CB 1.124 30.861 29.762 -0.041 0.000 1.501 104 H HN 0.357 nan 8.280 nan 0.000 0.521 105 L N 1.999 123.269 121.223 0.078 0.000 2.479 105 L HA 0.287 4.627 4.340 -0.000 0.000 0.255 105 L C -0.791 176.122 176.870 0.071 0.000 1.026 105 L CA -0.602 54.277 54.840 0.064 0.000 0.842 105 L CB 2.890 44.970 42.059 0.035 0.000 1.444 105 L HN 0.710 nan 8.230 nan 0.000 0.409 106 E N 2.847 123.090 120.200 0.070 0.000 2.279 106 E HA 0.455 4.805 4.350 -0.000 0.000 0.252 106 E C -1.849 174.792 176.600 0.069 0.000 0.894 106 E CA -0.350 56.094 56.400 0.073 0.000 0.785 106 E CB 1.312 31.044 29.700 0.054 0.000 1.237 106 E HN 0.360 nan 8.360 nan 0.000 0.418 107 I N 2.920 123.543 120.570 0.088 0.000 2.827 107 I HA 0.245 4.415 4.170 -0.000 0.000 0.298 107 I C -0.130 176.014 176.117 0.044 0.000 1.235 107 I CA -0.897 60.439 61.300 0.060 0.000 1.021 107 I CB 2.101 40.133 38.000 0.054 0.000 1.259 107 I HN 0.497 nan 8.210 nan 0.000 0.427 108 K N 6.536 126.947 120.400 0.017 0.000 2.561 108 K HA 0.036 4.356 4.320 -0.000 0.000 0.280 108 K C -1.951 174.623 176.600 -0.044 0.000 0.975 108 K CA -0.717 55.568 56.287 -0.004 0.000 1.024 108 K CB 0.372 32.869 32.500 -0.005 0.000 0.883 108 K HN 0.219 nan 8.250 nan 0.000 0.496 109 P HA -0.017 nan 4.420 nan 0.000 0.252 109 P C -0.937 176.310 177.300 -0.088 0.000 1.635 109 P CA 0.391 63.416 63.100 -0.125 0.000 1.206 109 P CB 0.358 32.002 31.700 -0.094 0.000 1.911 110 A N 2.809 125.579 122.820 -0.083 0.000 1.429 110 A HA 0.066 4.386 4.320 -0.000 0.000 0.212 110 A C 1.248 178.807 177.584 -0.043 0.000 1.863 110 A CA 0.201 52.207 52.037 -0.051 0.000 1.494 110 A CB -0.670 18.312 19.000 -0.029 0.000 1.413 110 A HN 0.321 nan 8.150 nan 0.000 0.338 111 I N -0.338 120.210 120.570 -0.036 0.000 3.956 111 I HA 0.240 4.410 4.170 -0.000 0.000 0.333 111 I C 1.732 177.838 176.117 -0.018 0.000 1.302 111 I CA 0.793 62.082 61.300 -0.019 0.000 1.122 111 I CB 0.060 38.057 38.000 -0.005 0.000 1.013 111 I HN 0.290 nan 8.210 nan 0.000 0.405 112 R N 0.959 121.429 120.500 -0.049 0.000 2.115 112 R HA -0.063 4.277 4.340 -0.000 0.000 0.230 112 R C 1.676 177.959 176.300 -0.029 0.000 1.111 112 R CA 1.907 57.983 56.100 -0.040 0.000 0.976 112 R CB -1.214 28.973 30.300 -0.189 0.000 0.870 112 R HN 0.362 nan 8.270 nan 0.000 0.445 113 N N 0.148 118.811 118.700 -0.063 0.000 2.106 113 N HA -0.135 4.605 4.740 -0.000 0.000 0.188 113 N C 1.823 177.340 175.510 0.012 0.000 1.029 113 N CA 1.091 54.132 53.050 -0.015 0.000 0.848 113 N CB -0.003 38.468 38.487 -0.026 0.000 1.007 113 N HN 0.221 nan 8.380 nan 0.000 0.423 114 Q N 0.034 119.835 119.800 0.002 0.000 2.226 114 Q HA -0.085 4.255 4.340 -0.000 0.000 0.204 114 Q C 1.908 177.916 176.000 0.014 0.000 0.975 114 Q CA 0.872 56.681 55.803 0.009 0.000 0.866 114 Q CB -0.046 28.695 28.738 0.004 0.000 0.915 114 Q HN 0.488 nan 8.270 nan 0.000 0.440 115 I N -0.283 120.297 120.570 0.017 0.000 2.286 115 I HA -0.233 3.937 4.170 -0.000 0.000 0.245 115 I C 2.064 178.195 176.117 0.022 0.000 1.104 115 I CA 0.542 61.852 61.300 0.016 0.000 1.397 115 I CB -0.026 37.989 38.000 0.025 0.000 1.072 115 I HN 0.092 nan 8.210 nan 0.000 0.417 116 I N 0.104 120.703 120.570 0.049 0.000 2.252 116 I HA -0.275 3.895 4.170 -0.000 0.000 0.245 116 I C 2.554 178.710 176.117 0.065 0.000 1.102 116 I CA 1.347 62.693 61.300 0.075 0.000 1.385 116 I CB -0.177 37.895 38.000 0.120 0.000 1.064 116 I HN 0.043 nan 8.210 nan 0.000 0.414 117 R N 0.326 120.858 120.500 0.054 0.000 2.091 117 R HA -0.178 4.162 4.340 -0.000 0.000 0.238 117 R C 2.119 178.438 176.300 0.032 0.000 1.136 117 R CA 1.559 57.690 56.100 0.051 0.000 0.959 117 R CB -0.249 30.075 30.300 0.040 0.000 0.856 117 R HN 0.412 nan 8.270 nan 0.000 0.437 118 E N -0.028 120.178 120.200 0.010 0.000 2.208 118 E HA -0.113 4.237 4.350 -0.000 0.000 0.193 118 E C 1.644 178.213 176.600 -0.051 0.000 0.988 118 E CA 0.619 57.012 56.400 -0.010 0.000 0.828 118 E CB 0.087 29.780 29.700 -0.011 0.000 0.763 118 E HN 0.318 nan 8.360 nan 0.000 0.478 119 L N 1.018 122.201 121.223 -0.067 0.000 2.552 119 L HA -0.100 4.240 4.340 -0.000 0.000 0.227 119 L C 2.087 178.820 176.870 -0.228 0.000 1.146 119 L CA 0.299 55.037 54.840 -0.170 0.000 0.858 119 L CB 0.107 42.091 42.059 -0.125 0.000 0.969 119 L HN 0.023 nan 8.230 nan 0.000 0.451 120 Q N -0.458 119.305 119.800 -0.061 0.000 2.378 120 Q HA -0.070 4.270 4.340 -0.000 0.000 0.205 120 Q C 2.277 178.293 176.000 0.025 0.000 0.954 120 Q CA 1.195 57.017 55.803 0.032 0.000 0.901 120 Q CB -0.158 28.671 28.738 0.152 0.000 0.981 120 Q HN 0.566 nan 8.270 nan 0.000 0.483 121 V N -2.602 117.291 119.914 -0.035 0.000 3.305 121 V HA -0.080 4.040 4.120 -0.000 0.000 0.269 121 V C 1.922 177.974 176.094 -0.070 0.000 1.157 121 V CA 0.784 63.087 62.300 0.004 0.000 1.157 121 V CB -0.820 31.012 31.823 0.014 0.000 0.772 121 V HN 0.138 nan 8.190 nan 0.000 0.498 122 L N -0.036 121.015 121.223 -0.287 0.000 2.201 122 L HA -0.072 4.268 4.340 -0.000 0.000 0.212 122 L C 2.628 179.474 176.870 -0.039 0.000 1.105 122 L CA 1.778 56.364 54.840 -0.424 0.000 0.775 122 L CB -0.616 40.631 42.059 -1.352 0.000 0.913 122 L HN 0.396 nan 8.230 nan 0.000 0.440 123 H N -0.830 118.346 119.070 0.177 0.000 2.456 123 H HA -0.176 4.379 4.556 -0.000 0.000 0.296 123 H C 1.739 177.179 175.328 0.186 0.000 1.079 123 H CA 1.106 57.328 56.048 0.289 0.000 1.322 123 H CB 0.299 30.221 29.762 0.267 0.000 1.388 123 H HN 0.357 nan 8.280 nan 0.000 0.538 124 E N -0.396 119.970 120.200 0.276 0.000 2.481 124 E HA 0.018 4.367 4.350 -0.000 0.000 0.195 124 E C -0.201 176.612 176.600 0.355 0.000 1.047 124 E CA -0.072 56.501 56.400 0.287 0.000 0.867 124 E CB 0.495 30.375 29.700 0.299 0.000 0.858 124 E HN 0.281 nan 8.360 nan 0.000 0.513 125 C N 2.971 122.386 119.300 0.192 0.000 2.227 125 C HA 0.303 4.763 4.460 -0.000 0.000 0.333 125 C C -0.413 174.707 174.990 0.217 0.000 1.145 125 C CA -1.035 58.109 59.018 0.208 0.000 1.643 125 C CB -1.175 26.581 27.740 0.025 0.000 2.185 125 C HN 0.246 nan 8.230 nan 0.000 0.497 126 N N 2.613 121.454 118.700 0.235 0.000 2.540 126 N HA 0.420 5.160 4.740 -0.000 0.000 0.275 126 N C -1.024 174.307 175.510 -0.298 0.000 1.053 126 N CA -0.014 53.037 53.050 0.001 0.000 0.876 126 N CB 1.975 40.503 38.487 0.070 0.000 1.284 126 N HN 0.597 nan 8.380 nan 0.000 0.518 127 S N 1.659 117.087 115.700 -0.453 0.000 2.533 127 S HA 0.460 4.930 4.470 -0.000 0.000 0.271 127 S C -2.343 172.035 174.600 -0.370 0.000 1.143 127 S CA -1.117 56.754 58.200 -0.548 0.000 0.891 127 S CB 1.743 64.324 63.200 -1.031 0.000 1.105 127 S HN 0.189 nan 8.310 nan 0.000 0.468 128 P HA 0.019 nan 4.420 nan 0.000 0.236 128 P C 0.069 177.039 177.300 -0.551 0.000 1.172 128 P CA 0.926 63.730 63.100 -0.493 0.000 0.759 128 P CB -0.411 30.920 31.700 -0.614 0.000 0.843 129 Y N -1.699 118.537 120.300 -0.108 0.000 2.426 129 Y HA 0.234 4.784 4.550 -0.000 0.000 0.249 129 Y C 1.194 177.075 175.900 -0.031 0.000 1.103 129 Y CA -0.756 57.307 58.100 -0.062 0.000 1.256 129 Y CB 0.623 39.049 38.460 -0.057 0.000 1.208 129 Y HN -0.204 nan 8.280 nan 0.000 0.519 130 I N 1.166 121.752 120.570 0.027 0.000 2.359 130 I HA 0.163 4.333 4.170 -0.000 0.000 0.294 130 I C 0.154 176.329 176.117 0.097 0.000 0.987 130 I CA -1.268 60.087 61.300 0.093 0.000 1.225 130 I CB 1.414 39.413 38.000 -0.002 0.000 1.366 130 I HN -0.266 nan 8.210 nan 0.000 0.466 131 V N 5.674 125.692 119.914 0.174 0.000 2.673 131 V HA 0.112 4.232 4.120 -0.000 0.000 0.303 131 V C 1.208 177.355 176.094 0.088 0.000 1.046 131 V CA -0.158 62.207 62.300 0.109 0.000 1.126 131 V CB 0.781 32.670 31.823 0.110 0.000 0.934 131 V HN 0.966 nan 8.190 nan 0.000 0.487 132 G N 4.217 113.028 108.800 0.018 0.000 2.380 132 G HA2 0.257 4.217 3.960 -0.000 0.000 0.242 132 G HA3 0.257 4.217 3.960 -0.000 0.000 0.242 132 G C -0.809 174.082 174.900 -0.016 0.000 1.298 132 G CA -0.162 44.909 45.100 -0.048 0.000 0.878 132 G HN 0.660 nan 8.290 nan 0.000 0.542 133 F N 3.815 123.676 119.950 -0.149 0.000 2.402 133 F HA 0.522 5.049 4.527 -0.000 0.000 0.355 133 F C 0.403 176.157 175.800 -0.077 0.000 1.123 133 F CA -1.167 56.772 58.000 -0.101 0.000 1.021 133 F CB 1.169 40.117 39.000 -0.087 0.000 1.160 133 F HN 0.500 nan 8.300 nan 0.000 0.451 134 Y N 4.180 124.189 120.300 -0.486 0.000 2.153 134 Y HA 0.402 4.952 4.550 -0.000 0.000 0.289 134 Y C 1.535 177.096 175.900 -0.566 0.000 1.119 134 Y CA 0.928 58.809 58.100 -0.365 0.000 1.116 134 Y CB -0.331 38.009 38.460 -0.199 0.000 1.004 134 Y HN 0.617 nan 8.280 nan 0.000 0.501 135 G N -1.662 106.695 108.800 -0.738 0.000 2.489 135 G HA2 0.600 4.560 3.960 -0.000 0.000 0.291 135 G HA3 0.600 4.560 3.960 -0.000 0.000 0.291 135 G C -2.053 172.754 174.900 -0.155 0.000 1.487 135 G CA -0.222 44.587 45.100 -0.484 0.000 0.795 135 G HN 0.298 nan 8.290 nan 0.000 0.513 136 A N -0.211 122.740 122.820 0.217 0.000 2.449 136 A HA 1.007 5.327 4.320 -0.000 0.000 0.302 136 A C -0.947 176.871 177.584 0.390 0.000 1.048 136 A CA -0.671 51.545 52.037 0.298 0.000 0.708 136 A CB 1.191 20.396 19.000 0.342 0.000 1.274 136 A HN 2.086 nan 8.150 nan 0.000 0.410 137 F N -0.842 119.186 119.950 0.129 0.000 2.711 137 F HA 0.690 5.217 4.527 -0.000 0.000 0.313 137 F C -1.301 174.594 175.800 0.159 0.000 1.141 137 F CA -1.509 56.580 58.000 0.148 0.000 0.941 137 F CB 0.989 40.075 39.000 0.142 0.000 1.349 137 F HN 0.561 nan 8.300 nan 0.000 0.464 138 Y N 1.308 121.732 120.300 0.207 0.000 2.326 138 Y HA 0.635 5.185 4.550 -0.000 0.000 0.337 138 Y C -0.102 175.916 175.900 0.196 0.000 1.023 138 Y CA 0.034 58.193 58.100 0.098 0.000 1.143 138 Y CB 1.181 39.696 38.460 0.093 0.000 1.183 138 Y HN 0.839 nan 8.280 nan 0.000 0.485 139 S N 3.515 119.009 115.700 -0.344 0.000 2.607 139 S HA 0.208 4.678 4.470 -0.000 0.000 0.303 139 S C -1.013 173.362 174.600 -0.375 0.000 1.086 139 S CA -0.916 57.195 58.200 -0.148 0.000 0.995 139 S CB 0.755 63.937 63.200 -0.031 0.000 1.084 139 S HN 0.701 nan 8.310 nan 0.000 0.507 140 D N 1.641 121.981 120.400 -0.100 0.000 2.422 140 D HA 0.350 4.990 4.640 -0.000 0.000 0.263 140 D C 0.962 177.208 176.300 -0.091 0.000 1.334 140 D CA 1.348 55.317 54.000 -0.052 0.000 1.105 140 D CB -0.013 40.808 40.800 0.036 0.000 1.107 140 D HN 0.851 nan 8.370 nan 0.000 0.522 141 G N 2.642 111.337 108.800 -0.175 0.000 2.905 141 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.196 141 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.196 141 G C 0.030 174.834 174.900 -0.160 0.000 1.044 141 G CA -0.052 44.982 45.100 -0.109 0.000 0.778 141 G HN 0.494 nan 8.290 nan 0.000 0.474 142 E N 0.331 120.360 120.200 -0.284 0.000 2.433 142 E HA 0.590 4.940 4.350 -0.000 0.000 0.278 142 E C -0.758 175.606 176.600 -0.394 0.000 0.976 142 E CA -1.062 55.183 56.400 -0.259 0.000 0.793 142 E CB 2.046 31.651 29.700 -0.157 0.000 1.311 142 E HN 0.856 nan 8.360 nan 0.000 0.460 143 I N -1.170 119.225 120.570 -0.292 0.000 2.336 143 I HA 0.497 4.667 4.170 -0.000 0.000 0.292 143 I C -0.381 175.520 176.117 -0.359 0.000 0.991 143 I CA -0.402 60.721 61.300 -0.295 0.000 1.227 143 I CB 1.746 39.680 38.000 -0.110 0.000 1.366 143 I HN 0.234 nan 8.210 nan 0.000 0.466 144 S N 6.254 121.589 115.700 -0.609 0.000 2.541 144 S HA 0.690 5.160 4.470 -0.000 0.000 0.283 144 S C -0.298 174.068 174.600 -0.390 0.000 1.196 144 S CA -0.447 57.397 58.200 -0.594 0.000 1.062 144 S CB 1.088 63.724 63.200 -0.941 0.000 1.009 144 S HN 0.549 nan 8.310 nan 0.000 0.502 145 I N 2.472 122.923 120.570 -0.200 0.000 2.439 145 I HA 0.305 4.475 4.170 -0.000 0.000 0.283 145 I C -0.911 175.183 176.117 -0.039 0.000 1.023 145 I CA -0.243 61.047 61.300 -0.017 0.000 1.100 145 I CB 1.156 39.193 38.000 0.061 0.000 1.238 145 I HN 0.579 nan 8.210 nan 0.000 0.445 146 C N 7.644 126.917 119.300 -0.045 0.000 2.285 146 C HA 0.764 5.224 4.460 -0.000 0.000 0.335 146 C C 0.277 175.298 174.990 0.052 0.000 1.267 146 C CA -0.845 58.140 59.018 -0.055 0.000 1.762 146 C CB -0.467 27.223 27.740 -0.083 0.000 2.365 146 C HN 0.793 nan 8.230 nan 0.000 0.527 147 M N 0.504 120.197 119.600 0.155 0.000 2.691 147 M HA 0.586 5.066 4.480 -0.000 0.000 0.293 147 M C -0.412 176.089 176.300 0.334 0.000 1.259 147 M CA -0.463 54.964 55.300 0.211 0.000 0.827 147 M CB 1.220 33.904 32.600 0.141 0.000 1.753 147 M HN 0.596 nan 8.290 nan 0.000 0.465 148 E N 2.155 122.462 120.200 0.179 0.000 2.608 148 E HA -0.129 4.221 4.350 -0.000 0.000 0.259 148 E C -0.975 175.764 176.600 0.233 0.000 0.951 148 E CA 0.434 56.969 56.400 0.226 0.000 0.945 148 E CB 0.336 30.056 29.700 0.035 0.000 0.916 148 E HN 0.652 nan 8.360 nan 0.000 0.477 149 H N 6.624 125.800 119.070 0.177 0.000 2.864 149 H HA 0.071 4.627 4.556 -0.000 0.000 0.281 149 H C -0.581 174.798 175.328 0.085 0.000 1.093 149 H CA -0.574 55.537 56.048 0.105 0.000 1.453 149 H CB 0.330 30.142 29.762 0.083 0.000 1.462 149 H HN 0.355 nan 8.280 nan 0.000 0.480 150 M N 5.981 125.370 119.600 -0.352 0.000 2.077 150 M HA 0.021 4.501 4.480 -0.000 0.000 0.348 150 M C 1.090 177.094 176.300 -0.494 0.000 1.252 150 M CA -0.366 54.753 55.300 -0.301 0.000 1.096 150 M CB 0.771 33.317 32.600 -0.090 0.000 1.568 150 M HN 0.701 nan 8.290 nan 0.000 0.456 151 D N 1.295 121.443 120.400 -0.419 0.000 2.347 151 D HA -0.060 4.579 4.640 -0.000 0.000 0.215 151 D C 1.244 177.491 176.300 -0.088 0.000 0.976 151 D CA 0.676 54.529 54.000 -0.246 0.000 0.884 151 D CB 0.181 40.947 40.800 -0.055 0.000 0.915 151 D HN 0.757 nan 8.370 nan 0.000 0.526 152 G N 0.210 108.972 108.800 -0.064 0.000 2.985 152 G HA2 0.327 4.287 3.960 -0.000 0.000 0.209 152 G HA3 0.327 4.287 3.960 -0.000 0.000 0.209 152 G C 1.088 175.995 174.900 0.011 0.000 1.165 152 G CA 0.301 45.394 45.100 -0.012 0.000 0.776 152 G HN 0.609 nan 8.290 nan 0.000 0.541 153 G N 0.070 108.862 108.800 -0.014 0.000 2.574 153 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.286 153 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.286 153 G C 0.335 175.261 174.900 0.043 0.000 1.212 153 G CA 0.204 45.311 45.100 0.013 0.000 0.979 153 G HN 0.760 nan 8.290 nan 0.000 0.557 154 S N -0.662 115.070 115.700 0.054 0.000 2.687 154 S HA 0.599 5.069 4.470 -0.000 0.000 0.283 154 S C 1.637 176.290 174.600 0.088 0.000 1.170 154 S CA -0.261 57.978 58.200 0.065 0.000 1.008 154 S CB 1.577 64.810 63.200 0.054 0.000 1.026 154 S HN 0.567 nan 8.310 nan 0.000 0.541 155 L N 1.425 122.701 121.223 0.089 0.000 2.217 155 L HA -0.082 4.258 4.340 -0.000 0.000 0.211 155 L C 1.975 178.913 176.870 0.113 0.000 1.107 155 L CA 1.153 56.062 54.840 0.116 0.000 0.783 155 L CB -0.355 41.756 42.059 0.086 0.000 0.919 155 L HN 0.754 nan 8.230 nan 0.000 0.442 156 D N -1.224 119.228 120.400 0.086 0.000 2.234 156 D HA -0.198 4.442 4.640 -0.000 0.000 0.205 156 D C 1.808 178.162 176.300 0.090 0.000 0.962 156 D CA 0.625 54.680 54.000 0.093 0.000 0.855 156 D CB -0.226 40.626 40.800 0.087 0.000 0.951 156 D HN 0.351 nan 8.370 nan 0.000 0.500 157 Q N 0.486 120.334 119.800 0.079 0.000 2.030 157 Q HA -0.131 4.209 4.340 -0.000 0.000 0.204 157 Q C 2.621 178.663 176.000 0.071 0.000 0.986 157 Q CA 2.271 58.114 55.803 0.066 0.000 0.843 157 Q CB -0.219 28.553 28.738 0.055 0.000 0.904 157 Q HN 0.438 nan 8.270 nan 0.000 0.420 158 V N -1.112 118.860 119.914 0.097 0.000 2.626 158 V HA -0.153 3.967 4.120 -0.000 0.000 0.252 158 V C 2.049 178.233 176.094 0.149 0.000 1.067 158 V CA 1.328 63.694 62.300 0.110 0.000 1.081 158 V CB -0.588 31.344 31.823 0.182 0.000 0.686 158 V HN 0.248 nan 8.190 nan 0.000 0.468 159 L N 0.104 121.422 121.223 0.157 0.000 2.217 159 L HA 0.062 4.402 4.340 -0.000 0.000 0.211 159 L C 2.435 179.374 176.870 0.116 0.000 1.107 159 L CA 1.722 56.657 54.840 0.158 0.000 0.783 159 L CB -0.843 41.303 42.059 0.145 0.000 0.919 159 L HN 0.172 nan 8.230 nan 0.000 0.442 160 K N -0.242 120.212 120.400 0.089 0.000 2.097 160 K HA -0.129 4.191 4.320 -0.000 0.000 0.206 160 K C 1.824 178.455 176.600 0.052 0.000 1.049 160 K CA 1.513 57.840 56.287 0.067 0.000 0.933 160 K CB 0.052 32.585 32.500 0.054 0.000 0.717 160 K HN 0.536 nan 8.250 nan 0.000 0.442 161 E N 0.555 120.779 120.200 0.040 0.000 2.011 161 E HA -0.029 4.321 4.350 -0.000 0.000 0.191 161 E C 0.666 177.280 176.600 0.023 0.000 0.980 161 E CA 0.274 56.679 56.400 0.009 0.000 0.814 161 E CB -0.210 29.467 29.700 -0.037 0.000 0.775 161 E HN 0.087 nan 8.360 nan 0.000 0.454 162 A N 2.313 125.159 122.820 0.043 0.000 2.438 162 A HA 0.044 4.364 4.320 -0.000 0.000 0.280 162 A C 1.022 178.698 177.584 0.153 0.000 1.160 162 A CA -0.030 52.073 52.037 0.109 0.000 0.821 162 A CB 0.176 19.310 19.000 0.224 0.000 1.101 162 A HN 0.116 nan 8.150 nan 0.000 0.515 163 K N 1.223 121.700 120.400 0.127 0.000 2.059 163 K HA -0.187 4.133 4.320 -0.000 0.000 0.212 163 K C 1.078 177.765 176.600 0.145 0.000 1.050 163 K CA 1.921 58.280 56.287 0.120 0.000 0.927 163 K CB -0.099 32.464 32.500 0.103 0.000 0.714 163 K HN 0.918 nan 8.250 nan 0.000 0.447 164 R N -0.172 120.435 120.500 0.178 0.000 2.888 164 R HA 0.491 4.831 4.340 -0.000 0.000 0.264 164 R C -0.906 175.537 176.300 0.238 0.000 1.045 164 R CA -0.737 55.479 56.100 0.193 0.000 0.962 164 R CB 1.039 31.452 30.300 0.188 0.000 1.210 164 R HN -0.115 nan 8.270 nan 0.000 0.479 165 I N 1.698 122.390 120.570 0.203 0.000 2.378 165 I HA 0.361 4.531 4.170 -0.000 0.000 0.291 165 I C -2.232 173.936 176.117 0.083 0.000 0.992 165 I CA -2.635 58.749 61.300 0.139 0.000 1.154 165 I CB 2.395 40.451 38.000 0.093 0.000 1.315 165 I HN 0.427 nan 8.210 nan 0.000 0.448 166 P HA 0.119 nan 4.420 nan 0.000 0.274 166 P C 0.508 177.794 177.300 -0.023 0.000 1.231 166 P CA -0.357 62.753 63.100 0.016 0.000 0.790 166 P CB 0.874 32.533 31.700 -0.068 0.000 0.951 167 E N 1.872 122.128 120.200 0.093 0.000 2.065 167 E HA -0.315 4.034 4.350 -0.000 0.000 0.201 167 E C 1.275 177.770 176.600 -0.176 0.000 1.016 167 E CA 1.931 58.327 56.400 -0.007 0.000 0.818 167 E CB -0.108 29.689 29.700 0.162 0.000 0.749 167 E HN 0.533 nan 8.360 nan 0.000 0.453 168 E N 0.567 120.682 120.200 -0.141 0.000 2.108 168 E HA -0.251 4.099 4.350 -0.000 0.000 0.203 168 E C 2.216 178.659 176.600 -0.261 0.000 1.022 168 E CA 1.759 58.042 56.400 -0.195 0.000 0.823 168 E CB -0.373 29.242 29.700 -0.141 0.000 0.744 168 E HN 0.380 nan 8.360 nan 0.000 0.456 169 I N 1.045 121.443 120.570 -0.287 0.000 2.252 169 I HA -0.191 3.979 4.170 -0.000 0.000 0.245 169 I C 2.536 178.461 176.117 -0.321 0.000 1.102 169 I CA 1.121 62.221 61.300 -0.334 0.000 1.385 169 I CB -0.904 36.800 38.000 -0.494 0.000 1.064 169 I HN 0.185 nan 8.210 nan 0.000 0.414 170 L N 0.726 121.788 121.223 -0.268 0.000 2.131 170 L HA -0.138 4.202 4.340 -0.000 0.000 0.210 170 L C 2.658 179.356 176.870 -0.287 0.000 1.092 170 L CA 1.436 56.137 54.840 -0.231 0.000 0.759 170 L CB -1.043 40.913 42.059 -0.172 0.000 0.903 170 L HN 0.300 nan 8.230 nan 0.000 0.435 171 G N -0.298 108.272 108.800 -0.382 0.000 2.421 171 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.216 171 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.216 171 G C 1.726 176.337 174.900 -0.481 0.000 1.171 171 G CA 0.396 45.137 45.100 -0.598 0.000 0.775 171 G HN 0.230 nan 8.290 nan 0.000 0.543 172 K N -0.118 120.037 120.400 -0.409 0.000 2.148 172 K HA 0.011 4.331 4.320 -0.000 0.000 0.204 172 K C 2.620 179.000 176.600 -0.367 0.000 1.050 172 K CA 0.783 56.837 56.287 -0.388 0.000 0.942 172 K CB -0.136 32.099 32.500 -0.442 0.000 0.724 172 K HN 0.265 nan 8.250 nan 0.000 0.446 173 V N 0.640 120.353 119.914 -0.335 0.000 2.283 173 V HA -0.214 3.906 4.120 -0.000 0.000 0.243 173 V C 2.109 178.100 176.094 -0.172 0.000 1.039 173 V CA 1.738 63.894 62.300 -0.239 0.000 1.016 173 V CB -0.365 31.357 31.823 -0.168 0.000 0.650 173 V HN 0.255 nan 8.190 nan 0.000 0.449 174 S N 0.212 115.825 115.700 -0.146 0.000 2.365 174 S HA -0.226 4.244 4.470 -0.000 0.000 0.225 174 S C 1.859 176.386 174.600 -0.121 0.000 1.039 174 S CA 2.053 60.216 58.200 -0.062 0.000 1.033 174 S CB -0.468 62.688 63.200 -0.072 0.000 0.887 174 S HN 0.470 nan 8.310 nan 0.000 0.447 175 I N 1.866 122.296 120.570 -0.234 0.000 2.052 175 I HA -0.305 3.865 4.170 -0.000 0.000 0.235 175 I C 2.750 178.656 176.117 -0.351 0.000 1.046 175 I CA 1.468 62.608 61.300 -0.267 0.000 1.308 175 I CB -0.612 37.216 38.000 -0.287 0.000 1.031 175 I HN 0.301 nan 8.210 nan 0.000 0.395 176 A N -0.075 122.525 122.820 -0.367 0.000 1.986 176 A HA -0.160 4.160 4.320 -0.000 0.000 0.220 176 A C 2.390 179.770 177.584 -0.340 0.000 1.171 176 A CA 1.950 53.702 52.037 -0.475 0.000 0.640 176 A CB -0.905 18.008 19.000 -0.145 0.000 0.811 176 A HN 0.311 nan 8.150 nan 0.000 0.451 177 V N -0.363 119.437 119.914 -0.190 0.000 2.302 177 V HA -0.175 3.945 4.120 -0.000 0.000 0.243 177 V C 2.498 178.533 176.094 -0.099 0.000 1.036 177 V CA 1.615 63.853 62.300 -0.104 0.000 1.020 177 V CB -0.667 31.119 31.823 -0.062 0.000 0.657 177 V HN 0.577 nan 8.190 nan 0.000 0.453 178 L N -0.337 120.832 121.223 -0.090 0.000 2.043 178 L HA -0.216 4.124 4.340 -0.000 0.000 0.212 178 L C 2.901 179.717 176.870 -0.090 0.000 1.075 178 L CA 1.647 56.458 54.840 -0.048 0.000 0.752 178 L CB -0.525 41.536 42.059 0.003 0.000 0.891 178 L HN 0.301 nan 8.230 nan 0.000 0.432 179 R N -0.450 119.914 120.500 -0.226 0.000 2.062 179 R HA -0.052 4.288 4.340 -0.000 0.000 0.229 179 R C 2.301 178.564 176.300 -0.061 0.000 1.128 179 R CA 1.306 57.270 56.100 -0.227 0.000 0.960 179 R CB -1.010 28.922 30.300 -0.614 0.000 0.855 179 R HN 0.406 nan 8.270 nan 0.000 0.432 180 G N 1.857 110.600 108.800 -0.095 0.000 2.446 180 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.217 180 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.217 180 G C 1.413 176.370 174.900 0.096 0.000 1.168 180 G CA 0.439 45.592 45.100 0.087 0.000 0.771 180 G HN 0.075 nan 8.290 nan 0.000 0.551 181 L N 1.407 122.655 121.223 0.042 0.000 2.012 181 L HA 0.004 4.344 4.340 -0.000 0.000 0.210 181 L C 3.307 180.201 176.870 0.040 0.000 1.073 181 L CA 1.883 56.748 54.840 0.041 0.000 0.748 181 L CB -1.067 41.004 42.059 0.020 0.000 0.891 181 L HN 0.300 nan 8.230 nan 0.000 0.431 182 A N -1.946 120.900 122.820 0.043 0.000 1.933 182 A HA -0.296 4.024 4.320 -0.000 0.000 0.218 182 A C 2.295 179.917 177.584 0.064 0.000 1.175 182 A CA 1.718 53.779 52.037 0.041 0.000 0.628 182 A CB -0.994 18.029 19.000 0.038 0.000 0.814 182 A HN 0.523 nan 8.150 nan 0.000 0.444 183 Y N 0.767 121.073 120.300 0.010 0.000 2.070 183 Y HA -0.202 4.348 4.550 -0.000 0.000 0.280 183 Y C 1.918 177.838 175.900 0.034 0.000 1.148 183 Y CA 2.146 60.267 58.100 0.035 0.000 1.125 183 Y CB -0.460 38.038 38.460 0.065 0.000 0.975 183 Y HN 0.212 nan 8.280 nan 0.000 0.492 184 L N -0.044 121.156 121.223 -0.038 0.000 2.191 184 L HA -0.182 4.158 4.340 -0.000 0.000 0.212 184 L C 2.704 179.505 176.870 -0.115 0.000 1.103 184 L CA 1.509 56.263 54.840 -0.144 0.000 0.769 184 L CB -0.561 41.365 42.059 -0.221 0.000 0.908 184 L HN 0.174 nan 8.230 nan 0.000 0.438 185 R N 0.227 120.675 120.500 -0.087 0.000 2.066 185 R HA -0.081 4.258 4.340 -0.000 0.000 0.224 185 R C 2.188 178.430 176.300 -0.096 0.000 1.122 185 R CA 1.066 57.125 56.100 -0.069 0.000 0.974 185 R CB 0.086 30.364 30.300 -0.037 0.000 0.871 185 R HN 0.346 nan 8.270 nan 0.000 0.435 186 E N 0.066 120.197 120.200 -0.115 0.000 2.046 186 E HA -0.120 4.230 4.350 -0.000 0.000 0.190 186 E C 1.650 178.123 176.600 -0.212 0.000 0.982 186 E CA 1.099 57.423 56.400 -0.126 0.000 0.800 186 E CB 0.253 29.901 29.700 -0.087 0.000 0.756 186 E HN 0.173 nan 8.360 nan 0.000 0.449 187 K N -0.536 119.643 120.400 -0.369 0.000 2.361 187 K HA 0.082 4.402 4.320 -0.000 0.000 0.194 187 K C 0.882 177.015 176.600 -0.778 0.000 1.032 187 K CA 0.485 56.425 56.287 -0.579 0.000 1.048 187 K CB 0.634 32.629 32.500 -0.841 0.000 0.842 187 K HN 0.256 nan 8.250 nan 0.000 0.526 188 H N -0.306 118.592 119.070 -0.287 0.000 3.787 188 H HA 0.112 4.668 4.556 -0.000 0.000 0.262 188 H C -0.302 174.948 175.328 -0.129 0.000 1.181 188 H CA 0.012 55.945 56.048 -0.191 0.000 1.159 188 H CB 1.070 30.709 29.762 -0.205 0.000 1.563 188 H HN 0.009 nan 8.280 nan 0.000 0.699 189 Q N 0.566 120.337 119.800 -0.048 0.000 2.468 189 Q HA -0.173 4.167 4.340 -0.000 0.000 0.289 189 Q C -0.815 175.169 176.000 -0.028 0.000 1.299 189 Q CA 0.862 56.639 55.803 -0.044 0.000 0.838 189 Q CB -1.687 27.026 28.738 -0.042 0.000 1.195 189 Q HN 0.611 nan 8.270 nan 0.000 0.456 190 I N -3.609 116.944 120.570 -0.029 0.000 2.722 190 I HA 0.579 4.749 4.170 -0.000 0.000 0.295 190 I C 0.098 176.197 176.117 -0.031 0.000 1.161 190 I CA -1.426 59.858 61.300 -0.027 0.000 1.032 190 I CB 1.671 39.662 38.000 -0.014 0.000 1.244 190 I HN 0.096 nan 8.210 nan 0.000 0.421 191 M N 3.172 122.768 119.600 -0.007 0.000 2.288 191 M HA 0.461 4.941 4.480 -0.000 0.000 0.334 191 M C -0.499 175.861 176.300 0.099 0.000 1.150 191 M CA -0.104 55.216 55.300 0.034 0.000 1.118 191 M CB 0.948 33.564 32.600 0.027 0.000 1.501 191 M HN 0.725 nan 8.290 nan 0.000 0.462 192 H N 3.633 122.729 119.070 0.043 0.000 2.820 192 H HA 0.269 4.825 4.556 -0.000 0.000 0.248 192 H C 0.167 175.569 175.328 0.124 0.000 1.714 192 H CA -0.219 55.896 56.048 0.111 0.000 1.334 192 H CB 0.114 29.929 29.762 0.089 0.000 1.693 192 H HN 0.760 nan 8.280 nan 0.000 0.548 193 R N 1.187 121.871 120.500 0.307 0.000 2.366 193 R HA -0.012 4.328 4.340 -0.000 0.000 0.201 193 R C -0.550 175.908 176.300 0.263 0.000 1.057 193 R CA 0.320 56.570 56.100 0.250 0.000 1.086 193 R CB 0.055 30.474 30.300 0.199 0.000 0.914 193 R HN 0.213 nan 8.270 nan 0.000 0.476 194 D N 0.455 121.079 120.400 0.372 0.000 2.968 194 D HA 0.111 4.751 4.640 -0.000 0.000 0.301 194 D C -1.318 175.073 176.300 0.152 0.000 1.226 194 D CA -0.319 53.840 54.000 0.265 0.000 0.746 194 D CB 0.936 41.877 40.800 0.236 0.000 1.278 194 D HN -0.149 nan 8.370 nan 0.000 0.544 195 V N 3.457 123.358 119.914 -0.022 0.000 2.461 195 V HA 0.491 4.611 4.120 -0.000 0.000 0.275 195 V C 0.286 176.265 176.094 -0.190 0.000 1.047 195 V CA 0.158 62.318 62.300 -0.233 0.000 0.955 195 V CB 0.969 32.642 31.823 -0.250 0.000 0.988 195 V HN 0.384 nan 8.190 nan 0.000 0.471 196 K N 3.905 124.147 120.400 -0.263 0.000 2.607 196 K HA 0.458 4.778 4.320 -0.000 0.000 0.287 196 K C -2.936 173.483 176.600 -0.301 0.000 0.996 196 K CA -1.626 54.360 56.287 -0.502 0.000 0.876 196 K CB 1.265 33.348 32.500 -0.696 0.000 1.496 196 K HN 0.072 nan 8.250 nan 0.000 0.415 197 P HA -0.226 nan 4.420 nan 0.000 0.217 197 P C 1.110 178.387 177.300 -0.038 0.000 1.148 197 P CA 1.891 64.927 63.100 -0.106 0.000 0.828 197 P CB 0.034 31.706 31.700 -0.047 0.000 0.783 198 S N -2.453 113.225 115.700 -0.038 0.000 2.555 198 S HA 0.003 4.473 4.470 -0.000 0.000 0.230 198 S C 1.365 175.978 174.600 0.022 0.000 0.978 198 S CA 0.678 58.886 58.200 0.014 0.000 0.934 198 S CB -0.769 62.453 63.200 0.035 0.000 0.766 198 S HN 0.078 nan 8.310 nan 0.000 0.533 199 N N 0.633 119.336 118.700 0.005 0.000 2.204 199 N HA 0.408 5.147 4.740 -0.000 0.000 0.219 199 N C -0.937 174.609 175.510 0.060 0.000 1.151 199 N CA -0.043 53.038 53.050 0.052 0.000 0.867 199 N CB 0.427 38.964 38.487 0.084 0.000 1.043 199 N HN 0.440 nan 8.380 nan 0.000 0.516 200 I N 1.341 121.929 120.570 0.030 0.000 2.359 200 I HA 0.245 4.415 4.170 -0.000 0.000 0.284 200 I C -0.881 175.277 176.117 0.070 0.000 1.018 200 I CA -0.680 60.647 61.300 0.045 0.000 1.173 200 I CB 1.101 39.106 38.000 0.008 0.000 1.326 200 I HN -0.302 nan 8.210 nan 0.000 0.462 201 L N 7.807 129.082 121.223 0.086 0.000 2.289 201 L HA 0.572 4.912 4.340 -0.000 0.000 0.285 201 L C 0.165 177.099 176.870 0.106 0.000 1.049 201 L CA -0.438 54.452 54.840 0.083 0.000 0.804 201 L CB 1.591 43.690 42.059 0.067 0.000 1.195 201 L HN 0.389 nan 8.230 nan 0.000 0.428 202 V N 0.684 120.673 119.914 0.125 0.000 3.103 202 V HA 0.936 5.056 4.120 -0.000 0.000 0.318 202 V C -0.637 175.525 176.094 0.114 0.000 1.114 202 V CA -0.648 61.767 62.300 0.193 0.000 1.020 202 V CB 2.093 34.124 31.823 0.346 0.000 1.085 202 V HN 0.944 nan 8.190 nan 0.000 0.446 203 N N -0.546 118.235 118.700 0.134 0.000 2.732 203 N HA 0.327 5.067 4.740 -0.000 0.000 0.259 203 N C 0.382 175.912 175.510 0.034 0.000 1.402 203 N CA -0.193 52.885 53.050 0.047 0.000 0.829 203 N CB 1.131 39.626 38.487 0.014 0.000 1.495 203 N HN 0.791 nan 8.380 nan 0.000 0.511 204 S N -0.364 115.333 115.700 -0.005 0.000 2.465 204 S HA -0.137 4.333 4.470 -0.000 0.000 0.241 204 S C 1.286 175.891 174.600 0.009 0.000 1.000 204 S CA 0.636 58.822 58.200 -0.023 0.000 0.964 204 S CB -0.426 62.763 63.200 -0.018 0.000 0.763 204 S HN 0.616 nan 8.310 nan 0.000 0.512 205 R N 0.916 121.440 120.500 0.040 0.000 2.280 205 R HA 0.180 4.520 4.340 -0.000 0.000 0.207 205 R C 1.692 178.051 176.300 0.099 0.000 1.043 205 R CA 0.601 56.734 56.100 0.056 0.000 1.006 205 R CB -0.390 29.940 30.300 0.049 0.000 0.885 205 R HN 0.630 nan 8.270 nan 0.000 0.467 206 G N 0.540 109.436 108.800 0.159 0.000 2.163 206 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.213 206 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.213 206 G C -0.339 174.819 174.900 0.429 0.000 0.991 206 G CA -0.389 44.922 45.100 0.352 0.000 0.653 206 G HN 0.350 nan 8.290 nan 0.000 0.518 207 E N -0.241 120.125 120.200 0.277 0.000 2.249 207 E HA 0.612 4.962 4.350 -0.000 0.000 0.280 207 E C 0.048 176.769 176.600 0.202 0.000 1.016 207 E CA -0.467 56.037 56.400 0.173 0.000 0.830 207 E CB 1.295 31.046 29.700 0.085 0.000 1.081 207 E HN 0.354 nan 8.360 nan 0.000 0.395 208 I N 3.418 124.050 120.570 0.103 0.000 2.389 208 I HA 0.299 4.469 4.170 -0.000 0.000 0.288 208 I C -0.172 176.020 176.117 0.126 0.000 0.999 208 I CA -0.452 60.892 61.300 0.073 0.000 1.129 208 I CB 1.002 38.944 38.000 -0.096 0.000 1.288 208 I HN 0.208 nan 8.210 nan 0.000 0.444 209 K N 6.373 126.845 120.400 0.120 0.000 2.375 209 K HA 0.636 4.956 4.320 -0.000 0.000 0.249 209 K C -1.122 175.566 176.600 0.147 0.000 0.942 209 K CA -0.883 55.488 56.287 0.140 0.000 0.806 209 K CB 2.969 35.534 32.500 0.108 0.000 1.227 209 K HN 0.423 nan 8.250 nan 0.000 0.430 210 L N 1.312 122.652 121.223 0.195 0.000 2.375 210 L HA 0.418 4.758 4.340 -0.000 0.000 0.271 210 L C -0.130 176.965 176.870 0.375 0.000 1.107 210 L CA -0.596 54.407 54.840 0.272 0.000 0.806 210 L CB 1.291 43.545 42.059 0.325 0.000 1.146 210 L HN 0.663 nan 8.230 nan 0.000 0.447 211 C N 1.412 120.962 119.300 0.416 0.000 3.080 211 C HA 0.380 4.840 4.460 -0.000 0.000 0.307 211 C C -1.108 173.989 174.990 0.177 0.000 1.311 211 C CA -0.520 58.637 59.018 0.231 0.000 1.533 211 C CB 1.394 29.202 27.740 0.115 0.000 1.970 211 C HN 0.983 nan 8.230 nan 0.000 0.467 212 D N 2.172 122.442 120.400 -0.218 0.000 2.828 212 D HA -0.184 4.456 4.640 -0.000 0.000 0.241 212 D C -0.714 175.392 176.300 -0.323 0.000 1.142 212 D CA 1.405 55.247 54.000 -0.263 0.000 0.755 212 D CB -1.262 39.515 40.800 -0.039 0.000 1.014 212 D HN 0.539 nan 8.370 nan 0.000 0.420 213 F N -1.697 118.003 119.950 -0.418 0.000 2.470 213 F HA 0.647 5.174 4.527 -0.000 0.000 0.329 213 F C 1.248 176.892 175.800 -0.260 0.000 1.072 213 F CA -1.407 56.247 58.000 -0.577 0.000 0.989 213 F CB 0.989 39.493 39.000 -0.825 0.000 1.193 213 F HN -0.102 nan 8.300 nan 0.000 0.481 214 G N 1.381 110.197 108.800 0.027 0.000 2.916 214 G HA2 0.368 4.328 3.960 -0.000 0.000 0.280 214 G HA3 0.368 4.328 3.960 -0.000 0.000 0.280 214 G C 0.747 175.670 174.900 0.038 0.000 0.758 214 G CA -0.019 45.087 45.100 0.010 0.000 1.993 214 G HN 0.855 nan 8.290 nan 0.000 0.564 215 V N 0.306 120.233 119.914 0.021 0.000 2.453 215 V HA 0.051 4.171 4.120 -0.000 0.000 0.247 215 V C 1.575 177.655 176.094 -0.024 0.000 1.048 215 V CA 1.230 63.539 62.300 0.016 0.000 1.049 215 V CB -0.411 31.398 31.823 -0.023 0.000 0.672 215 V HN 0.495 nan 8.190 nan 0.000 0.457 216 S N 1.065 116.735 115.700 -0.050 0.000 2.411 216 S HA 0.546 5.016 4.470 -0.000 0.000 0.294 216 S C 1.359 175.950 174.600 -0.015 0.000 1.115 216 S CA -0.000 58.176 58.200 -0.039 0.000 1.071 216 S CB 0.759 63.924 63.200 -0.058 0.000 0.967 216 S HN 0.595 nan 8.310 nan 0.000 0.488 217 G N 3.446 112.245 108.800 -0.002 0.000 2.422 217 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.218 217 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.218 217 G C 1.183 176.089 174.900 0.010 0.000 1.146 217 G CA 0.619 45.725 45.100 0.010 0.000 0.769 217 G HN 0.654 nan 8.290 nan 0.000 0.547 218 Q N -0.687 119.116 119.800 0.004 0.000 2.403 218 Q HA 0.365 4.705 4.340 -0.000 0.000 0.203 218 Q C 2.209 178.211 176.000 0.003 0.000 0.932 218 Q CA 0.013 55.820 55.803 0.006 0.000 0.945 218 Q CB 0.008 28.750 28.738 0.006 0.000 1.045 218 Q HN 0.504 nan 8.270 nan 0.000 0.511 219 L N -0.841 120.378 121.223 -0.006 0.000 2.095 219 L HA -0.052 4.288 4.340 -0.000 0.000 0.204 219 L C 1.557 178.424 176.870 -0.005 0.000 1.080 219 L CA 0.689 55.521 54.840 -0.014 0.000 0.759 219 L CB -0.007 42.030 42.059 -0.037 0.000 0.914 219 L HN 0.273 nan 8.230 nan 0.000 0.439 220 I N -0.118 120.454 120.570 0.002 0.000 2.127 220 I HA -0.347 3.823 4.170 -0.000 0.000 0.241 220 I C 1.997 178.125 176.117 0.019 0.000 1.075 220 I CA 1.447 62.757 61.300 0.016 0.000 1.334 220 I CB -0.461 37.558 38.000 0.031 0.000 1.040 220 I HN 0.247 nan 8.210 nan 0.000 0.405 221 D N 0.071 120.482 120.400 0.018 0.000 2.144 221 D HA -0.154 4.486 4.640 -0.000 0.000 0.199 221 D C 2.208 178.518 176.300 0.016 0.000 0.984 221 D CA 1.201 55.212 54.000 0.018 0.000 0.834 221 D CB -0.147 40.663 40.800 0.017 0.000 0.955 221 D HN 0.086 nan 8.370 nan 0.000 0.465 222 S N -1.045 114.664 115.700 0.014 0.000 2.607 222 S HA 0.127 4.597 4.470 -0.000 0.000 0.224 222 S C 0.734 175.343 174.600 0.016 0.000 0.969 222 S CA 0.084 58.294 58.200 0.016 0.000 0.927 222 S CB 0.037 63.247 63.200 0.017 0.000 0.772 222 S HN 0.101 nan 8.310 nan 0.000 0.533 231 R N 0.858 121.092 120.500 -0.443 0.000 2.832 231 R HA 0.865 5.205 4.340 -0.000 0.000 0.271 231 R C -1.124 174.844 176.300 -0.554 0.000 0.996 231 R CA -0.566 54.993 56.100 -0.901 0.000 0.977 231 R CB 2.007 31.685 30.300 -1.037 0.000 1.168 231 R HN 0.174 nan 8.270 nan 0.000 0.482 232 S N 0.514 115.885 115.700 -0.548 0.000 2.575 232 S HA 0.372 4.842 4.470 -0.000 0.000 0.278 232 S C -1.108 173.416 174.600 -0.127 0.000 1.139 232 S CA -0.545 57.541 58.200 -0.191 0.000 0.954 232 S CB 0.666 63.853 63.200 -0.023 0.000 1.054 232 S HN 0.645 nan 8.310 nan 0.000 0.483 233 Y N 2.296 122.744 120.300 0.247 0.000 2.467 233 Y HA 0.411 4.961 4.550 -0.000 0.000 0.250 233 Y C 1.093 177.197 175.900 0.340 0.000 1.155 233 Y CA -0.290 57.988 58.100 0.295 0.000 1.249 233 Y CB 0.269 38.852 38.460 0.206 0.000 1.146 233 Y HN 0.428 nan 8.280 nan 0.000 0.524 234 M N 0.803 120.603 119.600 0.333 0.000 2.250 234 M HA 0.272 4.752 4.480 -0.000 0.000 0.325 234 M C 0.536 176.874 176.300 0.064 0.000 1.084 234 M CA -0.103 55.320 55.300 0.205 0.000 1.161 234 M CB 0.604 33.261 32.600 0.095 0.000 1.481 234 M HN 0.247 nan 8.290 nan 0.000 0.449 235 A N 4.366 127.098 122.820 -0.147 0.000 2.304 235 A HA 0.400 4.720 4.320 -0.000 0.000 0.271 235 A C -1.967 175.248 177.584 -0.616 0.000 1.091 235 A CA -1.501 50.098 52.037 -0.731 0.000 0.812 235 A CB -0.159 18.611 19.000 -0.382 0.000 1.056 235 A HN 0.591 nan 8.150 nan 0.000 0.489 236 P HA -0.259 nan 4.420 nan 0.000 0.215 236 P C 1.352 178.477 177.300 -0.292 0.000 1.163 236 P CA 1.952 64.746 63.100 -0.510 0.000 0.894 236 P CB 0.046 31.418 31.700 -0.548 0.000 0.791 237 E N -0.063 119.991 120.200 -0.244 0.000 2.265 237 E HA -0.207 4.143 4.350 -0.000 0.000 0.196 237 E C 1.993 178.540 176.600 -0.087 0.000 0.996 237 E CA 1.145 57.480 56.400 -0.108 0.000 0.832 237 E CB -0.636 29.044 29.700 -0.035 0.000 0.756 237 E HN 0.252 nan 8.360 nan 0.000 0.491 238 R N 0.093 120.521 120.500 -0.120 0.000 2.161 238 R HA 0.140 4.480 4.340 -0.000 0.000 0.213 238 R C 2.391 178.590 176.300 -0.169 0.000 1.055 238 R CA 0.499 56.509 56.100 -0.150 0.000 0.996 238 R CB 0.082 30.338 30.300 -0.072 0.000 0.901 238 R HN 0.235 nan 8.270 nan 0.000 0.456 239 L N -0.483 120.654 121.223 -0.142 0.000 2.221 239 L HA 0.001 4.341 4.340 -0.000 0.000 0.202 239 L C 2.382 179.192 176.870 -0.100 0.000 1.074 239 L CA 0.505 55.277 54.840 -0.112 0.000 0.795 239 L CB -0.357 41.638 42.059 -0.106 0.000 0.960 239 L HN 0.035 nan 8.230 nan 0.000 0.458 240 Q N 0.211 119.948 119.800 -0.106 0.000 2.170 240 Q HA -0.049 4.290 4.340 -0.000 0.000 0.203 240 Q C 1.276 177.239 176.000 -0.061 0.000 0.976 240 Q CA 1.518 57.274 55.803 -0.079 0.000 0.858 240 Q CB 0.264 28.954 28.738 -0.081 0.000 0.907 240 Q HN 0.650 nan 8.270 nan 0.000 0.433 241 G N -0.551 108.204 108.800 -0.076 0.000 1.969 241 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.055 241 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.055 241 G C -0.188 174.667 174.900 -0.074 0.000 0.734 241 G CA -0.061 44.997 45.100 -0.070 0.000 1.109 241 G HN 0.300 nan 8.290 nan 0.000 0.348 242 T N -0.903 113.644 114.554 -0.013 0.000 2.814 242 T HA 0.539 4.889 4.350 -0.000 0.000 0.284 242 T C 0.219 175.012 174.700 0.154 0.000 0.998 242 T CA 0.579 62.700 62.100 0.036 0.000 0.935 242 T CB 0.592 69.458 68.868 -0.004 0.000 1.167 242 T HN 1.273 nan 8.240 nan 0.000 0.545 243 H N 0.917 120.061 119.070 0.124 0.000 2.905 243 H HA -0.163 4.393 4.556 -0.000 0.000 0.331 243 H C -1.118 174.320 175.328 0.184 0.000 1.078 243 H CA 0.751 56.867 56.048 0.113 0.000 1.084 243 H CB -1.572 28.217 29.762 0.045 0.000 1.617 243 H HN 0.847 nan 8.280 nan 0.000 0.383 244 Y N 0.285 120.648 120.300 0.105 0.000 2.361 244 Y HA 0.610 5.160 4.550 -0.000 0.000 0.328 244 Y C -0.388 175.543 175.900 0.053 0.000 1.044 244 Y CA -0.017 58.117 58.100 0.056 0.000 1.085 244 Y CB 1.564 40.039 38.460 0.025 0.000 1.194 244 Y HN 0.325 nan 8.280 nan 0.000 0.438 245 S N 2.248 117.914 115.700 -0.057 0.000 3.642 245 S HA 0.284 4.754 4.470 -0.000 0.000 0.312 245 S C 0.170 174.746 174.600 -0.040 0.000 1.117 245 S CA -0.021 58.102 58.200 -0.128 0.000 1.104 245 S CB 0.876 64.036 63.200 -0.066 0.000 1.397 245 S HN 1.000 nan 8.310 nan 0.000 0.756 246 V N 1.703 121.601 119.914 -0.027 0.000 3.383 246 V HA -0.018 4.102 4.120 -0.000 0.000 0.272 246 V C 1.763 177.873 176.094 0.027 0.000 1.181 246 V CA 1.574 63.878 62.300 0.006 0.000 1.171 246 V CB -0.992 30.829 31.823 -0.003 0.000 0.800 246 V HN 0.669 nan 8.190 nan 0.000 0.515 247 Q N -0.252 119.565 119.800 0.028 0.000 2.297 247 Q HA -0.034 4.306 4.340 -0.000 0.000 0.204 247 Q C 2.418 178.469 176.000 0.085 0.000 0.962 247 Q CA 1.537 57.365 55.803 0.042 0.000 0.879 247 Q CB -0.295 28.457 28.738 0.024 0.000 0.947 247 Q HN 0.701 nan 8.270 nan 0.000 0.462 248 S N 1.429 117.188 115.700 0.097 0.000 2.382 248 S HA -0.116 4.354 4.470 -0.000 0.000 0.228 248 S C 1.241 175.951 174.600 0.183 0.000 1.027 248 S CA 1.221 59.504 58.200 0.140 0.000 0.991 248 S CB -0.073 63.223 63.200 0.159 0.000 0.823 248 S HN 0.363 nan 8.310 nan 0.000 0.469 249 D N 1.280 121.759 120.400 0.133 0.000 2.224 249 D HA 0.027 4.667 4.640 -0.000 0.000 0.205 249 D C 1.857 178.207 176.300 0.083 0.000 0.965 249 D CA 0.436 54.502 54.000 0.109 0.000 0.852 249 D CB -0.176 40.672 40.800 0.080 0.000 0.947 249 D HN 0.275 nan 8.370 nan 0.000 0.494 250 I N 0.592 121.209 120.570 0.078 0.000 2.127 250 I HA -0.248 3.921 4.170 -0.000 0.000 0.241 250 I C 2.488 178.636 176.117 0.051 0.000 1.075 250 I CA 0.956 62.273 61.300 0.029 0.000 1.334 250 I CB -1.126 36.879 38.000 0.009 0.000 1.040 250 I HN 0.278 nan 8.210 nan 0.000 0.405 251 W N 2.435 123.709 121.300 -0.042 0.000 2.317 251 W HA -0.275 4.385 4.660 -0.000 0.000 0.318 251 W C 2.669 179.188 176.519 -0.001 0.000 1.227 251 W CA 2.238 59.565 57.345 -0.029 0.000 1.269 251 W CB -0.533 28.925 29.460 -0.003 0.000 1.155 251 W HN 0.118 nan 8.180 nan 0.000 0.484 252 S N 1.118 116.983 115.700 0.274 0.000 2.369 252 S HA -0.339 4.131 4.470 -0.000 0.000 0.225 252 S C 1.953 176.544 174.600 -0.014 0.000 1.043 252 S CA 2.193 60.498 58.200 0.175 0.000 1.074 252 S CB -1.024 62.273 63.200 0.162 0.000 0.962 252 S HN 0.435 nan 8.310 nan 0.000 0.433 253 M N 1.400 120.976 119.600 -0.039 0.000 2.108 253 M HA -0.120 4.360 4.480 -0.000 0.000 0.261 253 M C 2.112 178.352 176.300 -0.101 0.000 1.066 253 M CA 1.937 57.196 55.300 -0.068 0.000 1.107 253 M CB -0.891 31.687 32.600 -0.037 0.000 1.356 253 M HN 0.416 nan 8.290 nan 0.000 0.406 254 G N 0.906 109.599 108.800 -0.178 0.000 2.480 254 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.216 254 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.216 254 G C 1.348 176.062 174.900 -0.310 0.000 1.200 254 G CA 1.101 46.034 45.100 -0.279 0.000 0.782 254 G HN 0.460 nan 8.290 nan 0.000 0.554 255 L N 0.871 121.862 121.223 -0.387 0.000 1.989 255 L HA -0.098 4.242 4.340 -0.000 0.000 0.211 255 L C 3.192 179.995 176.870 -0.113 0.000 1.071 255 L CA 2.160 56.816 54.840 -0.308 0.000 0.749 255 L CB -0.391 41.507 42.059 -0.267 0.000 0.890 255 L HN 0.214 nan 8.230 nan 0.000 0.431 256 S N -0.511 115.154 115.700 -0.058 0.000 2.387 256 S HA -0.230 4.240 4.470 -0.000 0.000 0.230 256 S C 1.883 176.454 174.600 -0.049 0.000 1.035 256 S CA 1.759 59.918 58.200 -0.069 0.000 1.014 256 S CB -0.503 62.598 63.200 -0.166 0.000 0.836 256 S HN 0.368 nan 8.310 nan 0.000 0.466 257 L N 0.819 122.007 121.223 -0.060 0.000 2.027 257 L HA -0.058 4.282 4.340 -0.000 0.000 0.206 257 L C 2.327 179.134 176.870 -0.105 0.000 1.074 257 L CA 0.822 55.652 54.840 -0.016 0.000 0.745 257 L CB -0.659 41.447 42.059 0.078 0.000 0.898 257 L HN 0.186 nan 8.230 nan 0.000 0.433 258 V N 0.086 119.874 119.914 -0.210 0.000 2.469 258 V HA -0.306 3.814 4.120 -0.000 0.000 0.251 258 V C 2.432 178.427 176.094 -0.165 0.000 1.064 258 V CA 2.008 64.139 62.300 -0.281 0.000 1.066 258 V CB -0.586 31.046 31.823 -0.319 0.000 0.667 258 V HN 0.535 nan 8.190 nan 0.000 0.461 259 E N 0.682 120.832 120.200 -0.084 0.000 2.017 259 E HA -0.222 4.128 4.350 -0.000 0.000 0.193 259 E C 2.112 178.731 176.600 0.033 0.000 0.997 259 E CA 1.615 58.018 56.400 0.005 0.000 0.804 259 E CB -0.259 29.511 29.700 0.116 0.000 0.757 259 E HN 0.572 nan 8.360 nan 0.000 0.448 260 L N 0.626 121.871 121.223 0.037 0.000 2.265 260 L HA -0.101 4.239 4.340 -0.000 0.000 0.215 260 L C 2.541 179.458 176.870 0.077 0.000 1.117 260 L CA 0.892 55.774 54.840 0.071 0.000 0.782 260 L CB -0.449 41.652 42.059 0.070 0.000 0.914 260 L HN 0.256 nan 8.230 nan 0.000 0.441 261 A N -0.044 122.778 122.820 0.003 0.000 1.841 261 A HA -0.102 4.218 4.320 -0.000 0.000 0.214 261 A C 2.318 180.009 177.584 0.177 0.000 1.195 261 A CA 1.800 53.823 52.037 -0.023 0.000 0.611 261 A CB -0.816 17.881 19.000 -0.506 0.000 0.835 261 A HN 0.125 nan 8.150 nan 0.000 0.443 262 V N -1.364 118.599 119.914 0.081 0.000 2.379 262 V HA 0.225 4.345 4.120 -0.000 0.000 0.245 262 V C 2.125 178.290 176.094 0.119 0.000 1.044 262 V CA 1.927 64.305 62.300 0.129 0.000 1.036 262 V CB -0.618 31.233 31.823 0.047 0.000 0.664 262 V HN 1.081 nan 8.190 nan 0.000 0.453 263 G N 0.493 109.352 108.800 0.097 0.000 2.705 263 G HA2 -0.110 3.850 3.960 -0.000 0.000 0.193 263 G HA3 -0.110 3.850 3.960 -0.000 0.000 0.193 263 G C 0.328 175.286 174.900 0.097 0.000 1.015 263 G CA -0.013 45.150 45.100 0.105 0.000 0.743 263 G HN 0.697 nan 8.290 nan 0.000 0.476 264 R N -1.146 119.405 120.500 0.084 0.000 2.905 264 R HA 0.715 5.055 4.340 -0.000 0.000 0.260 264 R C -0.175 176.193 176.300 0.113 0.000 1.086 264 R CA -1.110 55.054 56.100 0.106 0.000 0.978 264 R CB 0.831 31.186 30.300 0.092 0.000 1.215 264 R HN 0.283 nan 8.270 nan 0.000 0.480 265 Y N 3.095 123.413 120.300 0.031 0.000 2.815 265 Y HA 0.086 4.636 4.550 -0.000 0.000 0.346 265 Y C -1.794 174.085 175.900 -0.036 0.000 1.267 265 Y CA -1.315 56.789 58.100 0.006 0.000 1.604 265 Y CB 0.779 39.219 38.460 -0.034 0.000 1.218 265 Y HN 0.519 nan 8.280 nan 0.000 0.527 266 P HA 0.004 nan 4.420 nan 0.000 0.261 266 P C 1.048 178.093 177.300 -0.425 0.000 1.352 266 P CA 0.300 63.192 63.100 -0.347 0.000 0.891 266 P CB 0.330 31.869 31.700 -0.268 0.000 1.383 267 I N 0.825 120.975 120.570 -0.700 0.000 2.439 267 I HA 0.046 4.216 4.170 -0.000 0.000 0.251 267 I C -1.466 174.439 176.117 -0.352 0.000 1.139 267 I CA -0.398 60.651 61.300 -0.420 0.000 1.438 267 I CB -1.957 35.836 38.000 -0.345 0.000 1.085 267 I HN -0.023 nan 8.210 nan 0.000 0.427 268 P HA 0.196 nan 4.420 nan 0.000 0.273 268 P C -2.480 174.691 177.300 -0.216 0.000 1.428 268 P CA -1.591 61.282 63.100 -0.378 0.000 0.995 268 P CB -0.026 31.543 31.700 -0.218 0.000 1.286 269 P HA 0.148 nan 4.420 nan 0.000 0.270 269 P C -2.249 175.023 177.300 -0.046 0.000 1.242 269 P CA -1.120 61.936 63.100 -0.074 0.000 0.768 269 P CB -0.702 31.001 31.700 0.004 0.000 0.820 270 P HA -0.044 nan 4.420 nan 0.000 0.264 270 P C -0.140 177.159 177.300 -0.002 0.000 1.183 270 P CA 0.340 63.431 63.100 -0.016 0.000 0.763 270 P CB 0.285 31.982 31.700 -0.005 0.000 0.807 271 D N 1.655 122.058 120.400 0.004 0.000 2.398 271 D HA 0.253 4.893 4.640 -0.000 0.000 0.264 271 D C 1.284 177.594 176.300 0.015 0.000 1.263 271 D CA -0.451 53.556 54.000 0.011 0.000 1.037 271 D CB -0.067 40.741 40.800 0.012 0.000 1.101 271 D HN 0.210 nan 8.370 nan 0.000 0.551 272 A N -0.549 122.281 122.820 0.016 0.000 2.024 272 A HA -0.213 4.106 4.320 -0.000 0.000 0.220 272 A C 1.748 179.344 177.584 0.021 0.000 1.164 272 A CA 2.058 54.106 52.037 0.018 0.000 0.643 272 A CB -0.816 18.193 19.000 0.016 0.000 0.806 272 A HN 0.689 nan 8.150 nan 0.000 0.451 273 K N -1.628 118.783 120.400 0.020 0.000 2.438 273 K HA 0.284 4.604 4.320 -0.000 0.000 0.206 273 K C 1.115 177.729 176.600 0.024 0.000 1.081 273 K CA 0.247 56.547 56.287 0.021 0.000 1.053 273 K CB 0.202 32.712 32.500 0.016 0.000 0.908 273 K HN 0.336 nan 8.250 nan 0.000 0.556 274 E N 1.420 121.634 120.200 0.023 0.000 2.031 274 E HA -0.127 4.223 4.350 -0.000 0.000 0.193 274 E C 1.507 178.128 176.600 0.034 0.000 0.994 274 E CA 1.455 57.869 56.400 0.024 0.000 0.800 274 E CB -0.030 29.680 29.700 0.016 0.000 0.752 274 E HN 0.353 nan 8.360 nan 0.000 0.447 275 L N 0.611 121.858 121.223 0.040 0.000 2.465 275 L HA 0.001 4.340 4.340 -0.000 0.000 0.224 275 L C 2.144 179.056 176.870 0.071 0.000 1.145 275 L CA 0.853 55.727 54.840 0.057 0.000 0.834 275 L CB -0.402 41.692 42.059 0.058 0.000 0.944 275 L HN -0.010 nan 8.230 nan 0.000 0.451 276 E N 1.494 121.729 120.200 0.058 0.000 2.265 276 E HA -0.175 4.175 4.350 -0.000 0.000 0.196 276 E C 1.979 178.609 176.600 0.050 0.000 0.996 276 E CA 0.926 57.360 56.400 0.057 0.000 0.832 276 E CB 0.121 29.841 29.700 0.035 0.000 0.756 276 E HN 0.577 nan 8.360 nan 0.000 0.491 277 A N 0.532 123.381 122.820 0.048 0.000 2.255 277 A HA -0.041 4.279 4.320 -0.000 0.000 0.206 277 A C 1.529 179.151 177.584 0.062 0.000 1.193 277 A CA 0.479 52.542 52.037 0.044 0.000 0.794 277 A CB -0.151 18.873 19.000 0.039 0.000 0.794 277 A HN 0.244 nan 8.150 nan 0.000 0.481 278 I N -3.970 116.655 120.570 0.092 0.000 4.530 278 I HA 0.387 4.557 4.170 -0.000 0.000 0.318 278 I C 0.079 176.337 176.117 0.235 0.000 1.257 278 I CA 0.517 61.898 61.300 0.135 0.000 1.301 278 I CB -0.240 37.838 38.000 0.130 0.000 1.297 278 I HN 0.232 nan 8.210 nan 0.000 0.451 279 F N 0.510 120.453 119.950 -0.011 0.000 2.745 279 F HA 0.614 5.141 4.527 -0.000 0.000 0.316 279 F C 1.234 177.022 175.800 -0.019 0.000 1.155 279 F CA -0.382 57.603 58.000 -0.024 0.000 0.937 279 F CB 1.649 40.619 39.000 -0.051 0.000 1.361 279 F HN -0.138 nan 8.300 nan 0.000 0.472 280 G N 1.443 110.094 108.800 -0.248 0.000 2.464 280 G HA2 -0.036 3.924 3.960 -0.000 0.000 0.214 280 G HA3 -0.036 3.924 3.960 -0.000 0.000 0.214 280 G C 0.699 175.615 174.900 0.026 0.000 1.218 280 G CA 0.416 45.431 45.100 -0.141 0.000 0.794 280 G HN 0.422 nan 8.290 nan 0.000 0.542 317 A N 0.896 123.734 122.820 0.030 0.000 2.332 317 A HA 0.486 4.806 4.320 -0.000 0.000 0.258 317 A C 0.924 178.542 177.584 0.058 0.000 1.087 317 A CA -0.223 51.845 52.037 0.052 0.000 0.802 317 A CB -0.113 18.938 19.000 0.086 0.000 1.042 317 A HN 0.505 nan 8.150 nan 0.000 0.489 318 I N -0.856 119.756 120.570 0.071 0.000 2.439 318 I HA -0.059 4.111 4.170 -0.000 0.000 0.251 318 I C 1.832 178.019 176.117 0.118 0.000 1.139 318 I CA 1.280 62.620 61.300 0.068 0.000 1.438 318 I CB -0.373 37.661 38.000 0.056 0.000 1.085 318 I HN 0.681 nan 8.210 nan 0.000 0.427 319 F N 1.955 121.910 119.950 0.010 0.000 2.270 319 F HA 0.002 4.529 4.527 -0.000 0.000 0.295 319 F C 2.470 178.289 175.800 0.033 0.000 1.087 319 F CA 1.253 59.262 58.000 0.016 0.000 1.365 319 F CB -0.141 38.865 39.000 0.010 0.000 1.056 319 F HN -0.033 nan 8.300 nan 0.000 0.506 320 E N 0.547 120.790 120.200 0.072 0.000 2.077 320 E HA -0.206 4.144 4.350 -0.000 0.000 0.193 320 E C 2.387 178.983 176.600 -0.007 0.000 0.989 320 E CA 0.982 57.390 56.400 0.014 0.000 0.800 320 E CB -0.426 29.323 29.700 0.081 0.000 0.746 320 E HN 0.352 nan 8.360 nan 0.000 0.452 321 L N 0.582 121.810 121.223 0.009 0.000 1.956 321 L HA -0.249 4.091 4.340 -0.000 0.000 0.216 321 L C 2.592 179.473 176.870 0.018 0.000 1.073 321 L CA 1.444 56.303 54.840 0.031 0.000 0.762 321 L CB -0.779 41.292 42.059 0.019 0.000 0.889 321 L HN 0.225 nan 8.230 nan 0.000 0.433 322 L N 0.135 121.323 121.223 -0.058 0.000 2.129 322 L HA -0.284 4.056 4.340 -0.000 0.000 0.212 322 L C 2.452 179.217 176.870 -0.175 0.000 1.087 322 L CA 1.824 56.602 54.840 -0.103 0.000 0.757 322 L CB -0.866 41.119 42.059 -0.124 0.000 0.896 322 L HN 0.405 nan 8.230 nan 0.000 0.434 323 D N -1.776 118.450 120.400 -0.290 0.000 2.117 323 D HA -0.257 4.383 4.640 -0.000 0.000 0.198 323 D C 2.146 178.383 176.300 -0.105 0.000 0.982 323 D CA 1.003 54.832 54.000 -0.285 0.000 0.828 323 D CB 0.109 40.681 40.800 -0.380 0.000 0.967 323 D HN 0.392 nan 8.370 nan 0.000 0.464 324 Y N 1.264 121.495 120.300 -0.114 0.000 2.114 324 Y HA -0.156 4.394 4.550 -0.000 0.000 0.284 324 Y C 2.478 178.365 175.900 -0.020 0.000 1.143 324 Y CA 1.417 59.488 58.100 -0.049 0.000 1.135 324 Y CB -0.199 38.251 38.460 -0.018 0.000 0.980 324 Y HN -0.066 nan 8.280 nan 0.000 0.499 325 I N -1.297 119.387 120.570 0.191 0.000 2.151 325 I HA -0.351 3.819 4.170 -0.000 0.000 0.243 325 I C 2.147 178.254 176.117 -0.015 0.000 1.080 325 I CA 1.389 62.779 61.300 0.150 0.000 1.339 325 I CB -0.576 37.502 38.000 0.130 0.000 1.039 325 I HN 0.068 nan 8.210 nan 0.000 0.409 326 V N 0.619 120.482 119.914 -0.084 0.000 2.488 326 V HA -0.193 3.927 4.120 -0.000 0.000 0.246 326 V C 1.468 177.485 176.094 -0.128 0.000 1.046 326 V CA 2.175 64.393 62.300 -0.136 0.000 1.053 326 V CB -0.613 31.127 31.823 -0.138 0.000 0.679 326 V HN 0.463 nan 8.190 nan 0.000 0.458 327 N N -1.700 116.917 118.700 -0.139 0.000 2.227 327 N HA 0.103 4.843 4.740 -0.000 0.000 0.196 327 N C 0.249 175.641 175.510 -0.197 0.000 1.142 327 N CA -0.073 52.888 53.050 -0.149 0.000 0.887 327 N CB 0.748 39.151 38.487 -0.141 0.000 1.022 327 N HN 0.244 nan 8.380 nan 0.000 0.500 328 E N 0.884 120.911 120.200 -0.288 0.000 2.221 328 E HA 0.365 4.715 4.350 -0.000 0.000 0.268 328 E C -2.432 174.043 176.600 -0.208 0.000 0.933 328 E CA -2.573 53.580 56.400 -0.411 0.000 0.809 328 E CB 0.936 29.980 29.700 -1.093 0.000 1.190 328 E HN -0.078 nan 8.360 nan 0.000 0.406 329 P HA 0.017 nan 4.420 nan 0.000 0.266 329 P C -2.482 174.851 177.300 0.056 0.000 1.186 329 P CA -0.707 62.378 63.100 -0.025 0.000 0.767 329 P CB -0.446 31.237 31.700 -0.027 0.000 0.820 330 P HA 0.286 nan 4.420 nan 0.000 0.276 330 P C -2.242 175.041 177.300 -0.028 0.000 1.252 330 P CA -1.809 61.331 63.100 0.068 0.000 0.802 330 P CB -1.017 30.699 31.700 0.027 0.000 1.035 331 P HA 0.187 nan 4.420 nan 0.000 0.271 331 P C -0.606 176.589 177.300 -0.176 0.000 1.218 331 P CA 0.209 63.228 63.100 -0.135 0.000 0.780 331 P CB 0.923 32.499 31.700 -0.206 0.000 0.901 332 K N 1.232 121.545 120.400 -0.146 0.000 2.340 332 K HA 0.500 4.820 4.320 -0.000 0.000 0.244 332 K C -0.314 176.182 176.600 -0.174 0.000 0.973 332 K CA -1.074 55.114 56.287 -0.164 0.000 0.828 332 K CB 1.667 34.104 32.500 -0.106 0.000 1.226 332 K HN 0.399 nan 8.250 nan 0.000 0.437 333 L N 4.034 125.120 121.223 -0.229 0.000 2.331 333 L HA 0.254 4.594 4.340 -0.000 0.000 0.278 333 L C -1.907 174.954 176.870 -0.015 0.000 1.106 333 L CA -1.905 52.818 54.840 -0.195 0.000 0.824 333 L CB 0.684 42.467 42.059 -0.460 0.000 1.142 333 L HN 0.360 nan 8.230 nan 0.000 0.443 334 P HA -0.006 nan 4.420 nan 0.000 0.267 334 P C -0.760 176.579 177.300 0.066 0.000 1.209 334 P CA -0.293 62.845 63.100 0.062 0.000 0.763 334 P CB 0.215 31.950 31.700 0.059 0.000 0.816 335 N N 2.391 121.105 118.700 0.024 0.000 3.103 335 N HA 0.049 4.789 4.740 -0.000 0.000 0.305 335 N C 0.623 176.127 175.510 -0.010 0.000 1.232 335 N CA -0.219 52.841 53.050 0.017 0.000 1.190 335 N CB -0.084 38.408 38.487 0.009 0.000 1.461 335 N HN 0.503 nan 8.380 nan 0.000 0.538 336 G N -0.425 108.341 108.800 -0.057 0.000 2.610 336 G HA2 -0.041 3.919 3.960 -0.000 0.000 0.171 336 G HA3 -0.041 3.919 3.960 -0.000 0.000 0.171 336 G C 0.642 175.404 174.900 -0.229 0.000 1.281 336 G CA -0.019 45.013 45.100 -0.113 0.000 0.691 336 G HN 0.214 nan 8.290 nan 0.000 0.691 337 V N 0.978 120.609 119.914 -0.471 0.000 2.951 337 V HA 0.353 4.473 4.120 -0.000 0.000 0.255 337 V C 0.123 175.885 176.094 -0.553 0.000 1.088 337 V CA 0.556 62.448 62.300 -0.680 0.000 1.109 337 V CB -0.501 30.691 31.823 -1.052 0.000 0.724 337 V HN 0.117 nan 8.190 nan 0.000 0.471 338 F N 0.534 120.442 119.950 -0.071 0.000 2.397 338 F HA 0.473 5.000 4.527 -0.000 0.000 0.331 338 F C 0.864 176.679 175.800 0.025 0.000 1.090 338 F CA -0.984 57.023 58.000 0.011 0.000 1.065 338 F CB 0.608 39.595 39.000 -0.021 0.000 1.184 338 F HN -0.226 nan 8.300 nan 0.000 0.499 339 T N 2.712 117.443 114.554 0.295 0.000 2.907 339 T HA 0.115 4.465 4.350 -0.000 0.000 0.298 339 T C -1.791 173.011 174.700 0.169 0.000 1.017 339 T CA -1.160 61.056 62.100 0.192 0.000 1.118 339 T CB 0.922 69.912 68.868 0.204 0.000 0.948 339 T HN 0.314 nan 8.240 nan 0.000 0.531 340 P HA -0.188 nan 4.420 nan 0.000 0.219 340 P C 1.036 178.412 177.300 0.128 0.000 1.151 340 P CA 1.224 64.380 63.100 0.093 0.000 0.850 340 P CB 0.148 31.894 31.700 0.076 0.000 0.784 341 D N -2.415 118.097 120.400 0.187 0.000 2.183 341 D HA -0.070 4.569 4.640 -0.000 0.000 0.205 341 D C 1.683 178.127 176.300 0.241 0.000 0.962 341 D CA 0.625 54.794 54.000 0.283 0.000 0.849 341 D CB -0.533 40.458 40.800 0.318 0.000 0.978 341 D HN 0.098 nan 8.370 nan 0.000 0.488 342 F N 2.212 122.078 119.950 -0.140 0.000 2.163 342 F HA -0.097 4.430 4.527 -0.000 0.000 0.297 342 F C 2.479 178.056 175.800 -0.372 0.000 1.094 342 F CA 1.066 58.670 58.000 -0.659 0.000 1.290 342 F CB -0.682 38.006 39.000 -0.520 0.000 1.017 342 F HN -0.113 nan 8.300 nan 0.000 0.483 343 Q N 0.392 120.105 119.800 -0.145 0.000 2.082 343 Q HA -0.295 4.045 4.340 -0.000 0.000 0.211 343 Q C 2.257 178.160 176.000 -0.162 0.000 1.002 343 Q CA 2.741 58.426 55.803 -0.197 0.000 0.868 343 Q CB -0.452 28.256 28.738 -0.050 0.000 0.931 343 Q HN 0.558 nan 8.270 nan 0.000 0.414 344 E N -0.997 119.187 120.200 -0.028 0.000 2.106 344 E HA -0.163 4.186 4.350 -0.000 0.000 0.192 344 E C 1.652 178.198 176.600 -0.089 0.000 0.984 344 E CA 0.798 57.209 56.400 0.019 0.000 0.806 344 E CB -0.172 29.646 29.700 0.197 0.000 0.750 344 E HN 0.399 nan 8.360 nan 0.000 0.458 345 F N 1.076 120.813 119.950 -0.355 0.000 2.046 345 F HA -0.270 4.257 4.527 -0.000 0.000 0.297 345 F C 2.273 177.851 175.800 -0.370 0.000 1.123 345 F CA 1.957 59.627 58.000 -0.550 0.000 1.199 345 F CB -0.670 37.988 39.000 -0.569 0.000 0.972 345 F HN -0.041 nan 8.300 nan 0.000 0.474 346 V N -0.988 118.728 119.914 -0.331 0.000 2.407 346 V HA -0.247 3.873 4.120 -0.000 0.000 0.248 346 V C 1.905 177.771 176.094 -0.379 0.000 1.055 346 V CA 2.286 64.337 62.300 -0.414 0.000 1.049 346 V CB -1.366 30.168 31.823 -0.481 0.000 0.662 346 V HN 0.342 nan 8.190 nan 0.000 0.455 347 N N 0.520 119.039 118.700 -0.302 0.000 2.364 347 N HA -0.052 4.688 4.740 -0.000 0.000 0.183 347 N C 1.735 177.131 175.510 -0.190 0.000 1.022 347 N CA 1.190 54.110 53.050 -0.217 0.000 0.883 347 N CB -0.311 38.087 38.487 -0.150 0.000 0.965 347 N HN 0.578 nan 8.380 nan 0.000 0.438 348 K N -0.760 119.492 120.400 -0.248 0.000 2.314 348 K HA 0.143 4.463 4.320 -0.000 0.000 0.198 348 K C 1.167 177.621 176.600 -0.243 0.000 1.045 348 K CA 0.416 56.574 56.287 -0.215 0.000 0.988 348 K CB 0.196 32.560 32.500 -0.227 0.000 0.783 348 K HN 0.258 nan 8.250 nan 0.000 0.484 349 C N 0.501 119.591 119.300 -0.351 0.000 2.514 349 C HA 0.148 4.608 4.460 -0.000 0.000 0.271 349 C C 1.458 176.334 174.990 -0.189 0.000 1.399 349 C CA 0.042 58.882 59.018 -0.297 0.000 1.765 349 C CB -0.501 26.994 27.740 -0.410 0.000 1.893 349 C HN 0.278 nan 8.230 nan 0.000 0.531 350 L N 0.485 121.576 121.223 -0.220 0.000 3.154 350 L HA 0.399 4.739 4.340 -0.000 0.000 0.266 350 L C -0.394 176.525 176.870 0.081 0.000 1.300 350 L CA 0.137 54.834 54.840 -0.237 0.000 1.028 350 L CB -0.166 41.561 42.059 -0.554 0.000 1.412 350 L HN 0.199 nan 8.230 nan 0.000 0.564 351 I N 0.270 120.915 120.570 0.125 0.000 2.371 351 I HA 0.087 4.257 4.170 -0.000 0.000 0.290 351 I C 1.393 177.632 176.117 0.203 0.000 1.028 351 I CA -0.032 61.344 61.300 0.125 0.000 1.345 351 I CB 1.328 39.351 38.000 0.038 0.000 1.407 351 I HN 0.206 nan 8.210 nan 0.000 0.501 352 K N 3.777 124.272 120.400 0.158 0.000 2.009 352 K HA -0.169 4.151 4.320 -0.000 0.000 0.210 352 K C 0.776 177.343 176.600 -0.056 0.000 1.049 352 K CA 1.140 57.437 56.287 0.017 0.000 0.929 352 K CB -0.205 32.275 32.500 -0.033 0.000 0.714 352 K HN 0.582 nan 8.250 nan 0.000 0.440 353 N N 1.833 120.514 118.700 -0.033 0.000 2.417 353 N HA -0.042 4.698 4.740 -0.000 0.000 0.272 353 N C -1.804 173.684 175.510 -0.037 0.000 1.304 353 N CA -1.052 51.969 53.050 -0.048 0.000 0.906 353 N CB 1.005 39.467 38.487 -0.041 0.000 1.135 353 N HN -0.033 nan 8.380 nan 0.000 0.483 354 P HA -0.202 nan 4.420 nan 0.000 0.216 354 P C 0.717 177.993 177.300 -0.039 0.000 1.150 354 P CA 1.117 64.196 63.100 -0.035 0.000 0.837 354 P CB 0.112 31.783 31.700 -0.048 0.000 0.786 355 A N 0.411 123.192 122.820 -0.066 0.000 1.898 355 A HA -0.190 4.130 4.320 -0.000 0.000 0.216 355 A C 2.297 179.859 177.584 -0.036 0.000 1.181 355 A CA 1.668 53.669 52.037 -0.060 0.000 0.620 355 A CB -1.307 17.645 19.000 -0.081 0.000 0.819 355 A HN 0.145 nan 8.150 nan 0.000 0.442 356 E N -0.511 119.671 120.200 -0.031 0.000 2.106 356 E HA -0.095 4.255 4.350 -0.000 0.000 0.192 356 E C 1.217 177.809 176.600 -0.013 0.000 0.984 356 E CA 0.194 56.582 56.400 -0.020 0.000 0.806 356 E CB -0.055 29.635 29.700 -0.017 0.000 0.750 356 E HN 0.509 nan 8.360 nan 0.000 0.458 357 R N 0.830 121.327 120.500 -0.006 0.000 2.638 357 R HA 0.052 4.392 4.340 -0.000 0.000 0.268 357 R C -0.548 175.740 176.300 -0.020 0.000 1.006 357 R CA 0.115 56.213 56.100 -0.003 0.000 1.088 357 R CB 0.410 30.727 30.300 0.030 0.000 0.950 357 R HN 0.027 nan 8.270 nan 0.000 0.419 358 A N 3.889 126.682 122.820 -0.044 0.000 2.483 358 A HA 0.062 4.382 4.320 -0.000 0.000 0.238 358 A C -0.147 177.413 177.584 -0.040 0.000 1.070 358 A CA 0.103 52.112 52.037 -0.046 0.000 0.770 358 A CB 0.116 19.066 19.000 -0.082 0.000 1.008 358 A HN 0.918 nan 8.150 nan 0.000 0.497 359 D N 0.982 121.371 120.400 -0.018 0.000 2.494 359 D HA 0.227 4.867 4.640 -0.000 0.000 0.259 359 D C 0.912 177.212 176.300 -0.000 0.000 1.109 359 D CA -0.745 53.248 54.000 -0.010 0.000 1.040 359 D CB 0.638 41.436 40.800 -0.004 0.000 1.175 359 D HN 0.207 nan 8.370 nan 0.000 0.584 360 L N 0.772 121.998 121.223 0.006 0.000 2.010 360 L HA -0.214 4.126 4.340 -0.000 0.000 0.219 360 L C 2.533 179.423 176.870 0.034 0.000 1.077 360 L CA 2.069 56.920 54.840 0.018 0.000 0.773 360 L CB -1.005 41.061 42.059 0.013 0.000 0.892 360 L HN 0.585 nan 8.230 nan 0.000 0.436 361 K N -1.653 118.764 120.400 0.029 0.000 2.025 361 K HA -0.138 4.182 4.320 -0.000 0.000 0.207 361 K C 2.111 178.745 176.600 0.057 0.000 1.049 361 K CA 1.448 57.756 56.287 0.036 0.000 0.933 361 K CB -0.114 32.400 32.500 0.023 0.000 0.714 361 K HN 0.231 nan 8.250 nan 0.000 0.438 362 M N 0.574 120.207 119.600 0.054 0.000 2.108 362 M HA -0.225 4.255 4.480 -0.000 0.000 0.261 362 M C 1.990 178.380 176.300 0.150 0.000 1.066 362 M CA 1.584 56.932 55.300 0.081 0.000 1.107 362 M CB -0.237 32.397 32.600 0.057 0.000 1.356 362 M HN 0.165 nan 8.290 nan 0.000 0.406 363 L N -1.495 119.808 121.223 0.133 0.000 2.072 363 L HA -0.140 4.200 4.340 -0.000 0.000 0.205 363 L C 2.551 179.608 176.870 0.313 0.000 1.079 363 L CA 1.209 56.194 54.840 0.242 0.000 0.752 363 L CB -0.857 41.275 42.059 0.120 0.000 0.906 363 L HN 0.261 nan 8.230 nan 0.000 0.436 364 T N -0.237 114.420 114.554 0.171 0.000 3.007 364 T HA -0.102 4.248 4.350 -0.000 0.000 0.270 364 T C 1.055 175.810 174.700 0.092 0.000 1.107 364 T CA 1.336 63.501 62.100 0.108 0.000 1.118 364 T CB -0.311 68.588 68.868 0.053 0.000 0.889 364 T HN 0.388 nan 8.240 nan 0.000 0.506 365 N N -0.164 118.606 118.700 0.117 0.000 2.234 365 N HA 0.174 4.914 4.740 -0.000 0.000 0.227 365 N C -0.247 175.334 175.510 0.119 0.000 1.151 365 N CA -0.247 52.853 53.050 0.084 0.000 0.865 365 N CB 0.437 38.954 38.487 0.051 0.000 1.066 365 N HN 0.417 nan 8.380 nan 0.000 0.515 366 H N 0.204 119.347 119.070 0.120 0.000 2.707 366 H HA 0.036 4.592 4.556 -0.000 0.000 0.359 366 H C 1.866 177.265 175.328 0.119 0.000 1.113 366 H CA 0.538 56.687 56.048 0.169 0.000 1.422 366 H CB 1.089 31.060 29.762 0.349 0.000 1.443 366 H HN 0.039 nan 8.280 nan 0.000 0.591 367 T N 3.083 117.549 114.554 -0.147 0.000 2.759 367 T HA -0.248 4.102 4.350 -0.000 0.000 0.269 367 T C 1.897 176.669 174.700 0.120 0.000 1.042 367 T CA 1.773 63.857 62.100 -0.027 0.000 1.140 367 T CB -0.555 68.256 68.868 -0.096 0.000 0.864 367 T HN 0.622 nan 8.240 nan 0.000 0.455 368 F N 1.325 121.409 119.950 0.222 0.000 2.102 368 F HA 0.016 4.542 4.527 -0.000 0.000 0.298 368 F C 1.984 177.693 175.800 -0.152 0.000 1.105 368 F CA 1.231 59.255 58.000 0.041 0.000 1.239 368 F CB -0.246 38.776 39.000 0.037 0.000 0.991 368 F HN 0.100 nan 8.300 nan 0.000 0.474 369 I N 0.853 121.283 120.570 -0.233 0.000 2.226 369 I HA -0.251 3.918 4.170 -0.000 0.000 0.245 369 I C 2.245 178.190 176.117 -0.287 0.000 1.100 369 I CA 1.515 62.588 61.300 -0.378 0.000 1.374 369 I CB -1.266 36.666 38.000 -0.113 0.000 1.057 369 I HN 0.194 nan 8.210 nan 0.000 0.413 370 K N 0.169 120.481 120.400 -0.146 0.000 2.026 370 K HA -0.166 4.154 4.320 -0.000 0.000 0.208 370 K C 2.252 178.759 176.600 -0.156 0.000 1.048 370 K CA 1.134 57.351 56.287 -0.117 0.000 0.929 370 K CB -0.243 32.220 32.500 -0.062 0.000 0.713 370 K HN 0.121 nan 8.250 nan 0.000 0.439 371 R N 0.495 120.891 120.500 -0.174 0.000 2.096 371 R HA -0.099 4.241 4.340 -0.000 0.000 0.235 371 R C 1.784 177.926 176.300 -0.263 0.000 1.127 371 R CA 1.822 57.814 56.100 -0.180 0.000 0.968 371 R CB -0.102 30.113 30.300 -0.141 0.000 0.861 371 R HN 0.090 nan 8.270 nan 0.000 0.440 372 S N 0.523 115.966 115.700 -0.427 0.000 2.428 372 S HA -0.053 4.417 4.470 -0.000 0.000 0.230 372 S C 1.483 175.894 174.600 -0.315 0.000 1.014 372 S CA 0.796 58.710 58.200 -0.476 0.000 0.957 372 S CB 0.037 62.763 63.200 -0.791 0.000 0.784 372 S HN 0.431 nan 8.310 nan 0.000 0.499 373 E N 0.681 120.726 120.200 -0.258 0.000 2.150 373 E HA -0.097 4.253 4.350 -0.000 0.000 0.193 373 E C 1.820 178.344 176.600 -0.125 0.000 0.985 373 E CA 1.348 57.643 56.400 -0.175 0.000 0.814 373 E CB 0.035 29.652 29.700 -0.138 0.000 0.752 373 E HN 0.532 nan 8.360 nan 0.000 0.466 374 V N -2.046 117.795 119.914 -0.121 0.000 3.621 374 V HA 0.181 4.301 4.120 -0.000 0.000 0.285 374 V C 0.510 176.553 176.094 -0.084 0.000 1.346 374 V CA -0.152 62.096 62.300 -0.086 0.000 1.104 374 V CB 0.109 31.891 31.823 -0.069 0.000 0.913 374 V HN -0.040 nan 8.190 nan 0.000 0.432 375 E N 2.069 122.201 120.200 -0.113 0.000 2.383 375 E HA 0.247 4.597 4.350 -0.000 0.000 0.264 375 E C -0.431 176.123 176.600 -0.077 0.000 1.050 375 E CA -0.067 56.272 56.400 -0.102 0.000 0.896 375 E CB 0.624 30.239 29.700 -0.141 0.000 0.982 375 E HN 0.727 nan 8.360 nan 0.000 0.424 376 E N 1.473 121.642 120.200 -0.051 0.000 2.055 376 E HA 0.352 4.702 4.350 -0.000 0.000 0.274 376 E C -1.242 175.349 176.600 -0.016 0.000 0.949 376 E CA -0.603 55.782 56.400 -0.026 0.000 0.775 376 E CB 1.199 30.890 29.700 -0.014 0.000 1.097 376 E HN 0.021 nan 8.360 nan 0.000 0.404 377 V N 2.025 121.938 119.914 -0.002 0.000 2.569 377 V HA 0.208 4.328 4.120 -0.000 0.000 0.301 377 V C -0.359 175.786 176.094 0.085 0.000 1.044 377 V CA -1.024 61.291 62.300 0.025 0.000 0.874 377 V CB 2.022 33.840 31.823 -0.008 0.000 1.002 377 V HN 0.703 nan 8.190 nan 0.000 0.424 378 D N 3.009 123.468 120.400 0.098 0.000 2.671 378 D HA 0.044 4.684 4.640 -0.000 0.000 0.228 378 D C 1.004 177.414 176.300 0.183 0.000 1.102 378 D CA 0.069 54.140 54.000 0.119 0.000 1.044 378 D CB 0.102 40.955 40.800 0.089 0.000 1.113 378 D HN 0.600 nan 8.370 nan 0.000 0.480 379 F N 1.896 121.887 119.950 0.069 0.000 2.171 379 F HA -0.176 4.351 4.527 -0.000 0.000 0.300 379 F C 2.049 177.960 175.800 0.185 0.000 1.090 379 F CA 1.486 59.553 58.000 0.112 0.000 1.293 379 F CB 0.216 39.235 39.000 0.031 0.000 1.013 379 F HN 0.261 nan 8.300 nan 0.000 0.486 380 A N 0.483 123.284 122.820 -0.032 0.000 1.940 380 A HA -0.069 4.251 4.320 -0.000 0.000 0.219 380 A C 2.428 179.951 177.584 -0.103 0.000 1.176 380 A CA 1.726 53.688 52.037 -0.125 0.000 0.631 380 A CB -1.781 17.226 19.000 0.011 0.000 0.814 380 A HN 0.535 nan 8.150 nan 0.000 0.446 381 G N -1.746 107.049 108.800 -0.008 0.000 2.404 381 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.214 381 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.214 381 G C 1.401 176.310 174.900 0.015 0.000 1.189 381 G CA 0.917 46.023 45.100 0.009 0.000 0.789 381 G HN 0.707 nan 8.290 nan 0.000 0.533 382 W N 1.059 122.292 121.300 -0.111 0.000 2.342 382 W HA -0.020 4.640 4.660 -0.000 0.000 0.297 382 W C 2.188 178.612 176.519 -0.159 0.000 1.213 382 W CA 1.176 58.463 57.345 -0.096 0.000 1.251 382 W CB -0.213 29.224 29.460 -0.038 0.000 1.136 382 W HN 0.124 nan 8.180 nan 0.000 0.526 383 L N -0.313 120.823 121.223 -0.146 0.000 1.994 383 L HA -0.300 4.040 4.340 -0.000 0.000 0.208 383 L C 2.456 179.116 176.870 -0.349 0.000 1.071 383 L CA 1.944 56.572 54.840 -0.354 0.000 0.745 383 L CB -0.939 40.887 42.059 -0.388 0.000 0.892 383 L HN 0.053 nan 8.230 nan 0.000 0.431 384 C N -0.348 118.814 119.300 -0.231 0.000 2.432 384 C HA -0.137 4.323 4.460 -0.000 0.000 0.280 384 C C 2.693 177.570 174.990 -0.189 0.000 1.353 384 C CA 0.933 59.848 59.018 -0.172 0.000 1.766 384 C CB -0.876 26.800 27.740 -0.107 0.000 1.924 384 C HN 0.517 nan 8.230 nan 0.000 0.509 385 K N 1.306 121.567 120.400 -0.232 0.000 2.209 385 K HA -0.145 4.175 4.320 -0.000 0.000 0.204 385 K C 1.462 177.889 176.600 -0.288 0.000 1.048 385 K CA 2.190 58.341 56.287 -0.225 0.000 0.940 385 K CB -0.192 32.185 32.500 -0.205 0.000 0.729 385 K HN 0.616 nan 8.250 nan 0.000 0.451 386 T N -0.484 113.815 114.554 -0.426 0.000 3.053 386 T HA 0.090 4.439 4.350 -0.000 0.000 0.236 386 T C 1.860 176.405 174.700 -0.258 0.000 0.996 386 T CA 0.044 61.907 62.100 -0.395 0.000 1.185 386 T CB -0.426 68.058 68.868 -0.640 0.000 0.892 386 T HN 0.092 nan 8.240 nan 0.000 0.432 387 L N 0.402 121.470 121.223 -0.259 0.000 2.362 387 L HA 0.159 4.499 4.340 -0.000 0.000 0.219 387 L C 0.383 177.188 176.870 -0.108 0.000 1.134 387 L CA 0.522 55.270 54.840 -0.154 0.000 0.807 387 L CB -0.334 41.645 42.059 -0.134 0.000 0.927 387 L HN 0.275 nan 8.230 nan 0.000 0.447 388 R N 0.287 120.716 120.500 -0.118 0.000 2.994 388 R HA -0.174 4.166 4.340 -0.000 0.000 0.267 388 R C -0.852 175.414 176.300 -0.056 0.000 0.914 388 R CA 0.391 56.443 56.100 -0.081 0.000 0.668 388 R CB -1.614 28.646 30.300 -0.065 0.000 1.524 388 R HN 0.271 nan 8.270 nan 0.000 0.478 389 L N 0.000 121.190 121.223 -0.055 0.000 2.949 389 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 389 L CA 0.000 54.821 54.840 -0.031 0.000 0.813 389 L CB 0.000 42.048 42.059 -0.019 0.000 0.961 389 L HN 0.000 nan 8.230 nan 0.000 0.502