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 2ohn_1_A DATA FIRST_RESID -1 DATA SEQUENCE FVEMVDNLRG KSGQGYYVEM TVGSPPQTLN ILVDTGSSNF AVGAAPHPFL DATA SEQUENCE HRYYQRQLSS TYRDLRKGVY VPYTQGKWEG ELGTDLVSIP HGPNVTVRAN DATA SEQUENCE IAAITESDKF FINGSNWEGI LGLAYAEIAR PDDSLEPFFD SLVKQTHVPN DATA SEQUENCE LFSLQLcGAX XXXXXXXXXA SVGGSMIIGG IDHSLYTGSL WYTPIRREWY DATA SEQUENCE YEVIIVRVEI NGQDLKMDcK EYNYDKSIVD SGTTNLRLPK KVFEAAVKSI DATA SEQUENCE KAASSTEKFP DGFWLGEQLV cWQAGTTPWN IFPVISLYLM GEVTNQSFRI DATA SEQUENCE TILPQQYLRP VEDVATSQDD cYKFAISQSS TGTVMGAVIM EGFYVVFDRA DATA SEQUENCE RKRIGFAVSA cHVHDEFRTA AVEGPFVTLD MEDcGYN 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 -1 F HA 0.000 nan 4.527 nan 0.000 0.279 -1 F C 0.000 175.829 175.800 0.048 0.000 0.967 -1 F CA 0.000 58.035 58.000 0.058 0.000 1.383 -1 F CB 0.000 39.036 39.000 0.059 0.000 1.145 0 V N 2.108 122.126 119.914 0.172 0.000 2.594 0 V HA -0.262 3.858 4.120 -0.000 0.000 0.253 0 V C 2.349 178.504 176.094 0.102 0.000 1.069 0 V CA 2.479 64.846 62.300 0.112 0.000 1.082 0 V CB -0.740 31.122 31.823 0.066 0.000 0.680 0 V HN 0.502 nan 8.190 nan 0.000 0.469 1 E N 0.816 121.083 120.200 0.112 0.000 2.097 1 E HA -0.291 4.058 4.350 -0.000 0.000 0.196 1 E C 1.981 178.672 176.600 0.151 0.000 1.000 1 E CA 2.028 58.505 56.400 0.127 0.000 0.804 1 E CB -0.401 29.373 29.700 0.123 0.000 0.740 1 E HN 0.595 nan 8.360 nan 0.000 0.454 2 M N 1.220 120.922 119.600 0.169 0.000 2.541 2 M HA 0.116 4.596 4.480 -0.000 0.000 0.252 2 M C 0.410 176.766 176.300 0.094 0.000 1.125 2 M CA -0.029 55.364 55.300 0.155 0.000 1.091 2 M CB 0.643 33.354 32.600 0.186 0.000 1.420 2 M HN -0.130 nan 8.290 nan 0.000 0.486 3 V N 2.573 122.533 119.914 0.077 0.000 2.673 3 V HA -0.095 4.025 4.120 -0.000 0.000 0.303 3 V C 0.642 176.735 176.094 -0.002 0.000 1.046 3 V CA 0.749 63.069 62.300 0.035 0.000 1.126 3 V CB 0.384 32.224 31.823 0.028 0.000 0.934 3 V HN 0.568 nan 8.190 nan 0.000 0.487 4 D N 3.181 123.574 120.400 -0.011 0.000 2.907 4 D HA -0.179 4.461 4.640 -0.000 0.000 0.226 4 D C 0.914 177.175 176.300 -0.065 0.000 1.141 4 D CA 1.090 55.070 54.000 -0.034 0.000 0.779 4 D CB -0.882 39.892 40.800 -0.042 0.000 1.095 4 D HN 0.878 nan 8.370 nan 0.000 0.430 5 N N 0.003 118.679 118.700 -0.040 0.000 2.322 5 N HA 0.039 4.778 4.740 -0.000 0.000 0.194 5 N C 0.346 175.838 175.510 -0.029 0.000 1.126 5 N CA 0.135 53.157 53.050 -0.047 0.000 0.845 5 N CB -0.004 38.508 38.487 0.043 0.000 0.976 5 N HN 0.402 nan 8.380 nan 0.000 0.475 6 L N 0.096 121.294 121.223 -0.043 0.000 2.334 6 L HA 0.574 4.914 4.340 -0.000 0.000 0.276 6 L C 0.097 176.879 176.870 -0.148 0.000 1.014 6 L CA -0.849 53.950 54.840 -0.069 0.000 0.815 6 L CB 1.714 43.786 42.059 0.021 0.000 1.268 6 L HN -0.073 nan 8.230 nan 0.000 0.428 7 R N 0.394 120.637 120.500 -0.430 0.000 2.855 7 R HA 0.902 5.242 4.340 -0.000 0.000 0.266 7 R C -0.660 175.133 176.300 -0.844 0.000 1.034 7 R CA -0.652 55.110 56.100 -0.564 0.000 0.944 7 R CB 2.367 32.345 30.300 -0.537 0.000 1.219 7 R HN 0.816 nan 8.270 nan 0.000 0.474 8 G N 0.357 108.867 108.800 -0.485 0.000 2.320 8 G HA2 0.295 4.255 3.960 -0.000 0.000 0.296 8 G HA3 0.295 4.255 3.960 -0.000 0.000 0.296 8 G C -1.817 173.012 174.900 -0.117 0.000 1.306 8 G CA -0.841 44.105 45.100 -0.255 0.000 0.836 8 G HN 0.294 nan 8.290 nan 0.000 0.517 9 K N -0.086 120.284 120.400 -0.050 0.000 2.385 9 K HA 0.658 4.978 4.320 -0.000 0.000 0.248 9 K C -0.057 176.492 176.600 -0.085 0.000 0.955 9 K CA -0.673 55.586 56.287 -0.047 0.000 0.816 9 K CB 2.209 34.719 32.500 0.017 0.000 1.250 9 K HN 0.496 nan 8.250 nan 0.000 0.434 10 S N 0.475 116.131 115.700 -0.072 0.000 2.575 10 S HA 0.140 4.610 4.470 -0.000 0.000 0.295 10 S C 1.217 175.799 174.600 -0.029 0.000 1.267 10 S CA 1.675 59.840 58.200 -0.058 0.000 1.074 10 S CB -0.450 62.731 63.200 -0.032 0.000 0.829 10 S HN 0.859 nan 8.310 nan 0.000 0.497 11 G N 4.106 112.892 108.800 -0.023 0.000 2.212 11 G HA2 -0.274 3.685 3.960 -0.000 0.000 0.266 11 G HA3 -0.274 3.685 3.960 -0.000 0.000 0.266 11 G C 0.503 175.422 174.900 0.031 0.000 0.978 11 G CA 0.708 45.812 45.100 0.008 0.000 0.632 11 G HN 0.718 nan 8.290 nan 0.000 0.537 12 Q N 0.146 119.970 119.800 0.041 0.000 2.219 12 Q HA 0.460 4.800 4.340 -0.000 0.000 0.209 12 Q C 1.227 177.315 176.000 0.146 0.000 0.854 12 Q CA 0.325 56.220 55.803 0.154 0.000 0.960 12 Q CB 0.971 29.830 28.738 0.201 0.000 1.116 12 Q HN 1.639 nan 8.270 nan 0.000 0.500 13 G N 0.716 109.504 108.800 -0.019 0.000 2.795 13 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.664 13 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.664 13 G C -1.228 173.575 174.900 -0.162 0.000 1.381 13 G CA -0.891 44.166 45.100 -0.072 0.000 0.853 13 G HN 0.188 nan 8.290 nan 0.000 0.545 14 Y N 0.008 120.253 120.300 -0.092 0.000 2.360 14 Y HA 0.674 5.224 4.550 -0.000 0.000 0.337 14 Y C 0.620 176.460 175.900 -0.101 0.000 1.039 14 Y CA -0.298 57.727 58.100 -0.125 0.000 1.109 14 Y CB 1.798 40.187 38.460 -0.117 0.000 1.201 14 Y HN 0.804 nan 8.280 nan 0.000 0.458 15 Y N 0.071 120.395 120.300 0.040 0.000 2.536 15 Y HA 0.823 5.373 4.550 -0.000 0.000 0.347 15 Y C -1.616 174.301 175.900 0.029 0.000 1.000 15 Y CA -1.726 56.369 58.100 -0.008 0.000 1.051 15 Y CB 0.967 39.443 38.460 0.025 0.000 1.259 15 Y HN 0.435 nan 8.280 nan 0.000 0.468 16 V N 2.133 122.165 119.914 0.197 0.000 2.715 16 V HA 0.371 4.490 4.120 -0.000 0.000 0.310 16 V C -0.536 175.671 176.094 0.189 0.000 1.054 16 V CA -0.877 61.505 62.300 0.137 0.000 0.928 16 V CB 1.739 33.582 31.823 0.034 0.000 1.007 16 V HN 0.984 nan 8.190 nan 0.000 0.437 17 E N 5.183 125.495 120.200 0.188 0.000 2.344 17 E HA 0.376 4.725 4.350 -0.000 0.000 0.270 17 E C -0.767 175.871 176.600 0.064 0.000 1.021 17 E CA -0.032 56.454 56.400 0.143 0.000 0.887 17 E CB 0.675 30.477 29.700 0.169 0.000 0.997 17 E HN 0.645 nan 8.360 nan 0.000 0.429 18 M N 2.071 121.691 119.600 0.034 0.000 2.658 18 M HA 0.333 4.813 4.480 -0.000 0.000 0.295 18 M C -0.557 175.749 176.300 0.010 0.000 1.248 18 M CA -0.981 54.313 55.300 -0.011 0.000 0.843 18 M CB 2.417 34.979 32.600 -0.062 0.000 1.749 18 M HN 0.511 nan 8.290 nan 0.000 0.464 19 T N -0.628 113.928 114.554 0.005 0.000 2.863 19 T HA 0.832 5.182 4.350 -0.000 0.000 0.285 19 T C -0.858 173.859 174.700 0.028 0.000 1.009 19 T CA -0.707 61.403 62.100 0.016 0.000 0.989 19 T CB 1.479 70.354 68.868 0.012 0.000 1.004 19 T HN 0.433 nan 8.240 nan 0.000 0.455 20 V N 1.728 121.651 119.914 0.015 0.000 2.914 20 V HA 0.911 5.031 4.120 -0.000 0.000 0.314 20 V C 0.966 177.106 176.094 0.078 0.000 1.084 20 V CA 0.215 62.512 62.300 -0.004 0.000 0.963 20 V CB 1.056 32.728 31.823 -0.251 0.000 1.025 20 V HN 1.663 nan 8.190 nan 0.000 0.432 21 G N 3.164 112.046 108.800 0.138 0.000 2.828 21 G HA2 -0.042 3.918 3.960 -0.000 0.000 0.463 21 G HA3 -0.042 3.918 3.960 -0.000 0.000 0.463 21 G C -0.387 174.590 174.900 0.129 0.000 1.394 21 G CA -0.189 45.035 45.100 0.207 0.000 0.862 21 G HN 1.053 nan 8.290 nan 0.000 0.540 22 S N 2.436 118.207 115.700 0.119 0.000 2.707 22 S HA 0.695 5.165 4.470 -0.000 0.000 0.303 22 S C -2.073 172.565 174.600 0.064 0.000 1.132 22 S CA -0.490 57.756 58.200 0.077 0.000 1.046 22 S CB 2.714 65.955 63.200 0.068 0.000 1.004 22 S HN 0.796 nan 8.310 nan 0.000 0.483 23 P HA 0.306 nan 4.420 nan 0.000 0.273 23 P C -2.956 174.373 177.300 0.048 0.000 1.250 23 P CA -1.627 61.496 63.100 0.039 0.000 0.793 23 P CB -0.816 30.899 31.700 0.024 0.000 1.011 24 P HA 0.200 nan 4.420 nan 0.000 0.276 24 P C -0.571 176.750 177.300 0.036 0.000 1.243 24 P CA 0.265 63.389 63.100 0.040 0.000 0.768 24 P CB 0.210 31.924 31.700 0.023 0.000 0.856 25 Q N 1.445 121.276 119.800 0.052 0.000 2.274 25 Q HA 0.290 4.630 4.340 -0.000 0.000 0.256 25 Q C -0.152 175.861 176.000 0.022 0.000 0.927 25 Q CA -0.323 55.504 55.803 0.040 0.000 0.939 25 Q CB 0.714 29.502 28.738 0.084 0.000 1.201 25 Q HN 0.366 nan 8.270 nan 0.000 0.426 26 T N 4.024 118.583 114.554 0.008 0.000 2.794 26 T HA 0.426 4.776 4.350 -0.000 0.000 0.296 26 T C -0.204 174.500 174.700 0.006 0.000 0.949 26 T CA -0.158 61.947 62.100 0.008 0.000 1.101 26 T CB 0.179 69.052 68.868 0.007 0.000 0.905 26 T HN 0.324 nan 8.240 nan 0.000 0.516 27 L N 3.508 124.742 121.223 0.018 0.000 2.422 27 L HA 0.483 4.823 4.340 -0.000 0.000 0.264 27 L C -0.328 176.565 176.870 0.038 0.000 0.984 27 L CA -1.254 53.599 54.840 0.021 0.000 0.819 27 L CB 1.984 44.061 42.059 0.030 0.000 1.330 27 L HN 0.440 nan 8.230 nan 0.000 0.410 28 N N 3.426 122.129 118.700 0.006 0.000 2.444 28 N HA 0.483 5.223 4.740 -0.000 0.000 0.271 28 N C -0.923 174.638 175.510 0.085 0.000 1.069 28 N CA -0.246 52.810 53.050 0.009 0.000 0.965 28 N CB 1.690 39.995 38.487 -0.302 0.000 1.092 28 N HN 0.321 nan 8.380 nan 0.000 0.476 29 I N 2.644 123.303 120.570 0.149 0.000 2.447 29 I HA 0.228 4.398 4.170 -0.000 0.000 0.287 29 I C 0.104 176.262 176.117 0.068 0.000 1.023 29 I CA -0.876 60.503 61.300 0.132 0.000 1.083 29 I CB 1.599 39.671 38.000 0.119 0.000 1.245 29 I HN 0.275 nan 8.210 nan 0.000 0.434 30 L N 7.225 128.389 121.223 -0.098 0.000 2.499 30 L HA 0.088 4.428 4.340 -0.000 0.000 0.273 30 L C -0.117 176.652 176.870 -0.168 0.000 1.195 30 L CA 0.458 55.117 54.840 -0.302 0.000 0.882 30 L CB 0.644 42.231 42.059 -0.787 0.000 1.133 30 L HN 0.331 nan 8.230 nan 0.000 0.483 31 V N 4.935 124.773 119.914 -0.127 0.000 2.408 31 V HA 0.264 4.383 4.120 -0.000 0.000 0.267 31 V C -0.403 175.610 176.094 -0.135 0.000 1.047 31 V CA -0.240 61.975 62.300 -0.140 0.000 0.937 31 V CB 1.139 32.886 31.823 -0.125 0.000 0.999 31 V HN 0.782 nan 8.190 nan 0.000 0.472 32 D N 2.837 123.156 120.400 -0.136 0.000 2.476 32 D HA 0.243 4.883 4.640 -0.000 0.000 0.251 32 D C 0.876 177.140 176.300 -0.060 0.000 1.291 32 D CA -0.173 53.779 54.000 -0.080 0.000 0.939 32 D CB 1.795 42.566 40.800 -0.048 0.000 1.221 32 D HN 0.566 nan 8.370 nan 0.000 0.567 33 T N -0.049 114.478 114.554 -0.045 0.000 3.148 33 T HA 0.190 4.540 4.350 -0.000 0.000 0.253 33 T C 1.432 176.254 174.700 0.203 0.000 1.134 33 T CA 0.264 62.393 62.100 0.048 0.000 1.051 33 T CB 0.233 69.023 68.868 -0.130 0.000 0.959 33 T HN 0.301 nan 8.240 nan 0.000 0.525 34 G N 0.845 109.729 108.800 0.139 0.000 3.337 34 G HA2 0.462 4.421 3.960 -0.000 0.000 0.246 34 G HA3 0.462 4.421 3.960 -0.000 0.000 0.246 34 G C 0.229 175.223 174.900 0.158 0.000 1.131 34 G CA 0.091 45.313 45.100 0.202 0.000 0.773 34 G HN 0.778 nan 8.290 nan 0.000 0.544 35 S N -2.058 113.688 115.700 0.076 0.000 2.656 35 S HA 0.644 5.114 4.470 -0.000 0.000 0.273 35 S C -0.148 174.468 174.600 0.028 0.000 1.168 35 S CA -0.242 57.988 58.200 0.051 0.000 0.817 35 S CB 1.715 65.009 63.200 0.157 0.000 1.146 35 S HN -0.021 nan 8.310 nan 0.000 0.475 36 S N 0.054 115.786 115.700 0.054 0.000 2.960 36 S HA 0.370 4.840 4.470 -0.000 0.000 0.256 36 S C -0.591 174.091 174.600 0.137 0.000 1.017 36 S CA -0.471 57.766 58.200 0.061 0.000 1.144 36 S CB -0.336 62.876 63.200 0.019 0.000 1.109 36 S HN 0.685 nan 8.310 nan 0.000 0.638 37 N N 1.418 120.236 118.700 0.196 0.000 2.430 37 N HA 0.451 5.190 4.740 -0.000 0.000 0.292 37 N C -1.258 174.424 175.510 0.287 0.000 1.051 37 N CA -0.428 52.778 53.050 0.261 0.000 0.917 37 N CB 0.681 39.387 38.487 0.365 0.000 1.164 37 N HN 0.124 nan 8.380 nan 0.000 0.484 38 F N 2.746 122.750 119.950 0.090 0.000 2.413 38 F HA 0.631 5.157 4.527 -0.000 0.000 0.359 38 F C -0.432 175.350 175.800 -0.029 0.000 1.122 38 F CA -1.452 56.554 58.000 0.011 0.000 1.160 38 F CB -0.355 38.658 39.000 0.021 0.000 1.146 38 F HN 0.458 nan 8.300 nan 0.000 0.514 39 A N 6.215 128.872 122.820 -0.271 0.000 2.422 39 A HA 0.771 5.090 4.320 -0.000 0.000 0.302 39 A C -1.481 175.821 177.584 -0.471 0.000 1.041 39 A CA -0.346 51.360 52.037 -0.551 0.000 0.708 39 A CB 1.454 19.876 19.000 -0.963 0.000 1.257 39 A HN 1.156 nan 8.150 nan 0.000 0.414 40 V N -0.089 119.578 119.914 -0.412 0.000 2.789 40 V HA 0.921 5.041 4.120 -0.000 0.000 0.311 40 V C 0.393 176.501 176.094 0.024 0.000 1.073 40 V CA -0.219 61.984 62.300 -0.161 0.000 0.921 40 V CB 1.253 32.910 31.823 -0.276 0.000 1.009 40 V HN 1.695 nan 8.190 nan 0.000 0.426 41 G N 1.953 110.866 108.800 0.189 0.000 2.305 41 G HA2 0.498 4.458 3.960 -0.000 0.000 0.243 41 G HA3 0.498 4.458 3.960 -0.000 0.000 0.243 41 G C 0.584 175.584 174.900 0.168 0.000 1.288 41 G CA 0.213 45.417 45.100 0.173 0.000 0.901 41 G HN 1.979 nan 8.290 nan 0.000 0.516 42 A N 1.415 124.308 122.820 0.122 0.000 2.628 42 A HA 0.774 5.094 4.320 -0.000 0.000 0.267 42 A C 0.827 178.404 177.584 -0.012 0.000 1.159 42 A CA 0.849 52.971 52.037 0.142 0.000 0.972 42 A CB 0.230 19.278 19.000 0.079 0.000 1.211 42 A HN 1.714 nan 8.150 nan 0.000 0.576 43 A N 0.514 123.170 122.820 -0.272 0.000 2.515 43 A HA 0.768 5.088 4.320 -0.000 0.000 0.296 43 A C -2.998 174.004 177.584 -0.971 0.000 1.094 43 A CA -1.664 50.042 52.037 -0.550 0.000 0.718 43 A CB 0.970 19.831 19.000 -0.232 0.000 1.307 43 A HN -0.015 nan 8.150 nan 0.000 0.408 44 P HA 0.070 nan 4.420 nan 0.000 0.226 44 P C -0.352 176.755 177.300 -0.322 0.000 1.783 44 P CA 0.266 62.932 63.100 -0.723 0.000 0.980 44 P CB -0.957 30.507 31.700 -0.394 0.000 1.967 45 H N 3.666 122.514 119.070 -0.371 0.000 2.928 45 H HA 0.046 4.601 4.556 -0.000 0.000 0.338 45 H C -0.817 174.356 175.328 -0.259 0.000 1.047 45 H CA -0.880 54.994 56.048 -0.290 0.000 1.435 45 H CB 0.841 30.442 29.762 -0.269 0.000 1.428 45 H HN 0.116 nan 8.280 nan 0.000 0.590 46 P HA -0.192 nan 4.420 nan 0.000 0.221 46 P C 0.745 178.125 177.300 0.133 0.000 1.145 46 P CA 1.043 64.061 63.100 -0.136 0.000 0.795 46 P CB 0.135 31.712 31.700 -0.205 0.000 0.775 47 F N -0.511 119.506 119.950 0.112 0.000 2.661 47 F HA 0.114 4.641 4.527 -0.000 0.000 0.298 47 F C 1.529 177.214 175.800 -0.192 0.000 1.137 47 F CA -0.466 57.523 58.000 -0.018 0.000 1.454 47 F CB -1.083 37.938 39.000 0.034 0.000 1.103 47 F HN -0.155 nan 8.300 nan 0.000 0.577 48 L N -0.143 121.068 121.223 -0.021 0.000 2.292 48 L HA 0.169 4.509 4.340 -0.000 0.000 0.284 48 L C 1.335 178.160 176.870 -0.076 0.000 1.065 48 L CA -0.394 54.358 54.840 -0.146 0.000 0.806 48 L CB 1.036 42.957 42.059 -0.230 0.000 1.175 48 L HN 0.019 nan 8.230 nan 0.000 0.431 49 H N 1.924 120.945 119.070 -0.083 0.000 2.428 49 H HA 0.119 4.675 4.556 -0.000 0.000 0.296 49 H C 0.086 175.397 175.328 -0.029 0.000 1.062 49 H CA 1.023 57.041 56.048 -0.051 0.000 1.350 49 H CB 0.248 29.962 29.762 -0.080 0.000 1.403 49 H HN 0.450 nan 8.280 nan 0.000 0.533 50 R N -0.934 119.630 120.500 0.105 0.000 2.692 50 R HA 0.346 4.686 4.340 -0.000 0.000 0.269 50 R C -1.791 174.563 176.300 0.091 0.000 1.030 50 R CA -0.973 55.134 56.100 0.012 0.000 0.882 50 R CB 2.143 32.432 30.300 -0.018 0.000 1.250 50 R HN 0.127 nan 8.270 nan 0.000 0.465 51 Y N -1.622 118.665 120.300 -0.022 0.000 2.656 51 Y HA 0.440 4.989 4.550 -0.000 0.000 0.334 51 Y C -1.537 174.406 175.900 0.070 0.000 1.179 51 Y CA -1.467 56.629 58.100 -0.007 0.000 1.050 51 Y CB 0.519 38.951 38.460 -0.046 0.000 1.308 51 Y HN 0.502 nan 8.280 nan 0.000 0.456 52 Y N 2.940 123.287 120.300 0.079 0.000 2.496 52 Y HA 0.307 4.857 4.550 -0.000 0.000 0.334 52 Y C -0.441 175.472 175.900 0.022 0.000 1.080 52 Y CA -0.761 57.338 58.100 -0.001 0.000 1.355 52 Y CB 0.829 39.278 38.460 -0.018 0.000 1.193 52 Y HN 0.713 nan 8.280 nan 0.000 0.523 53 Q N 7.297 127.014 119.800 -0.139 0.000 2.506 53 Q HA 0.260 4.600 4.340 -0.000 0.000 0.242 53 Q C 0.890 176.618 176.000 -0.454 0.000 1.060 53 Q CA -0.411 55.248 55.803 -0.239 0.000 0.826 53 Q CB 0.884 29.529 28.738 -0.156 0.000 1.169 53 Q HN 0.795 nan 8.270 nan 0.000 0.521 54 R N 0.982 121.019 120.500 -0.772 0.000 2.200 54 R HA -0.192 4.148 4.340 -0.000 0.000 0.234 54 R C 2.135 178.152 176.300 -0.471 0.000 1.127 54 R CA 1.273 56.820 56.100 -0.922 0.000 0.989 54 R CB 0.128 29.650 30.300 -1.297 0.000 0.869 54 R HN 0.595 nan 8.270 nan 0.000 0.459 55 Q N 0.909 120.524 119.800 -0.308 0.000 2.291 55 Q HA -0.133 4.207 4.340 -0.000 0.000 0.205 55 Q C 1.568 177.512 176.000 -0.093 0.000 0.970 55 Q CA 1.353 57.061 55.803 -0.158 0.000 0.876 55 Q CB -0.113 28.556 28.738 -0.114 0.000 0.935 55 Q HN 0.426 nan 8.270 nan 0.000 0.455 56 L N 1.231 122.396 121.223 -0.098 0.000 2.591 56 L HA 0.176 4.516 4.340 -0.000 0.000 0.228 56 L C 0.854 177.723 176.870 -0.001 0.000 1.133 56 L CA -0.087 54.728 54.840 -0.042 0.000 0.880 56 L CB 0.316 42.350 42.059 -0.041 0.000 1.033 56 L HN 0.028 nan 8.230 nan 0.000 0.450 57 S N -1.179 114.526 115.700 0.008 0.000 2.498 57 S HA 0.215 4.685 4.470 -0.000 0.000 0.324 57 S C 1.172 175.836 174.600 0.108 0.000 1.071 57 S CA -0.595 57.656 58.200 0.084 0.000 1.113 57 S CB 1.421 64.717 63.200 0.160 0.000 0.976 57 S HN 0.148 nan 8.310 nan 0.000 0.462 58 S N 3.177 118.929 115.700 0.087 0.000 2.402 58 S HA -0.125 4.345 4.470 -0.000 0.000 0.233 58 S C 1.749 176.408 174.600 0.099 0.000 1.030 58 S CA 2.011 60.259 58.200 0.079 0.000 1.003 58 S CB -0.381 62.854 63.200 0.058 0.000 0.813 58 S HN 0.950 nan 8.310 nan 0.000 0.477 59 T N -1.785 112.844 114.554 0.125 0.000 3.086 59 T HA 0.201 4.551 4.350 -0.000 0.000 0.250 59 T C 0.295 175.082 174.700 0.144 0.000 1.074 59 T CA -0.442 61.726 62.100 0.114 0.000 0.988 59 T CB -0.436 68.492 68.868 0.099 0.000 0.988 59 T HN 0.367 nan 8.240 nan 0.000 0.530 60 Y N 3.186 123.537 120.300 0.084 0.000 2.497 60 Y HA 0.400 4.950 4.550 -0.000 0.000 0.334 60 Y C 0.098 176.038 175.900 0.067 0.000 1.199 60 Y CA -0.856 57.303 58.100 0.099 0.000 1.425 60 Y CB 0.446 38.950 38.460 0.073 0.000 1.291 60 Y HN 0.035 nan 8.280 nan 0.000 0.562 61 R N 4.660 124.648 120.500 -0.855 0.000 2.514 61 R HA 0.166 4.505 4.340 -0.000 0.000 0.296 61 R C -1.672 174.093 176.300 -0.891 0.000 1.012 61 R CA -1.055 54.631 56.100 -0.691 0.000 0.897 61 R CB 1.345 31.483 30.300 -0.271 0.000 1.184 61 R HN 0.641 nan 8.270 nan 0.000 0.440 62 D N 2.871 122.889 120.400 -0.637 0.000 2.351 62 D HA 0.082 4.722 4.640 -0.000 0.000 0.251 62 D C 0.632 176.868 176.300 -0.107 0.000 1.137 62 D CA -0.078 53.776 54.000 -0.243 0.000 0.879 62 D CB 1.267 42.086 40.800 0.032 0.000 1.181 62 D HN 0.497 nan 8.370 nan 0.000 0.448 63 L N 3.387 124.592 121.223 -0.031 0.000 2.592 63 L HA 0.180 4.520 4.340 -0.000 0.000 0.227 63 L C 0.847 177.731 176.870 0.023 0.000 1.127 63 L CA -0.090 54.749 54.840 -0.001 0.000 0.884 63 L CB -0.084 41.989 42.059 0.024 0.000 1.065 63 L HN 0.447 nan 8.230 nan 0.000 0.457 64 R N 0.931 121.454 120.500 0.039 0.000 3.322 64 R HA -0.216 4.124 4.340 -0.000 0.000 0.253 64 R C -0.052 176.274 176.300 0.044 0.000 0.987 64 R CA 0.711 56.838 56.100 0.044 0.000 0.666 64 R CB -1.531 28.787 30.300 0.030 0.000 1.072 64 R HN 0.274 nan 8.270 nan 0.000 0.447 65 K N -0.341 120.092 120.400 0.056 0.000 2.527 65 K HA 0.552 4.871 4.320 -0.000 0.000 0.260 65 K C -0.215 176.429 176.600 0.072 0.000 0.937 65 K CA -0.240 56.080 56.287 0.055 0.000 0.826 65 K CB 1.973 34.502 32.500 0.048 0.000 1.359 65 K HN 0.137 nan 8.250 nan 0.000 0.434 66 G N 0.718 109.558 108.800 0.066 0.000 2.488 66 G HA2 0.619 4.579 3.960 -0.000 0.000 0.318 66 G HA3 0.619 4.579 3.960 -0.000 0.000 0.318 66 G C -0.927 174.020 174.900 0.077 0.000 1.188 66 G CA -0.634 44.514 45.100 0.080 0.000 0.944 66 G HN 0.492 nan 8.290 nan 0.000 0.495 67 V N -1.947 118.021 119.914 0.089 0.000 2.760 67 V HA 0.685 4.805 4.120 -0.000 0.000 0.309 67 V C -1.612 174.455 176.094 -0.044 0.000 1.077 67 V CA -1.293 61.026 62.300 0.031 0.000 0.910 67 V CB 1.466 33.327 31.823 0.063 0.000 1.008 67 V HN 0.735 nan 8.190 nan 0.000 0.424 68 Y N 3.274 123.419 120.300 -0.258 0.000 2.326 68 Y HA 0.784 5.334 4.550 -0.000 0.000 0.331 68 Y C -0.803 174.764 175.900 -0.555 0.000 0.962 68 Y CA -0.891 56.998 58.100 -0.352 0.000 1.167 68 Y CB 2.114 40.444 38.460 -0.217 0.000 1.148 68 Y HN 0.605 nan 8.280 nan 0.000 0.463 69 V N 9.313 128.563 119.914 -1.107 0.000 2.327 69 V HA 0.382 4.501 4.120 -0.000 0.000 0.272 69 V C -2.485 172.879 176.094 -1.217 0.000 1.019 69 V CA -1.593 59.976 62.300 -1.218 0.000 0.814 69 V CB 1.025 31.647 31.823 -2.001 0.000 1.040 69 V HN 0.622 nan 8.190 nan 0.000 0.440 70 P HA 0.561 nan 4.420 nan 0.000 0.290 70 P C -1.378 175.535 177.300 -0.644 0.000 1.275 70 P CA -0.275 62.496 63.100 -0.547 0.000 0.841 70 P CB 1.415 33.066 31.700 -0.081 0.000 1.042 71 Y N -1.487 118.788 120.300 -0.043 0.000 2.968 71 Y HA 0.457 5.006 4.550 -0.000 0.000 0.316 71 Y C 1.180 177.099 175.900 0.032 0.000 1.359 71 Y CA -1.078 57.033 58.100 0.017 0.000 1.107 71 Y CB -0.123 38.371 38.460 0.056 0.000 1.374 71 Y HN 0.070 nan 8.280 nan 0.000 0.621 72 T N 2.821 117.508 114.554 0.220 0.000 2.784 72 T HA 0.012 4.362 4.350 -0.000 0.000 0.291 72 T C -0.320 174.457 174.700 0.129 0.000 0.942 72 T CA -0.451 61.728 62.100 0.132 0.000 1.161 72 T CB -0.458 68.469 68.868 0.098 0.000 0.885 72 T HN 0.530 nan 8.240 nan 0.000 0.534 73 Q N 2.675 122.535 119.800 0.100 0.000 3.116 73 Q HA -0.146 4.193 4.340 -0.000 0.000 0.334 73 Q C 0.781 176.849 176.000 0.113 0.000 1.149 73 Q CA 0.559 56.418 55.803 0.095 0.000 1.099 73 Q CB -1.229 27.554 28.738 0.076 0.000 1.081 73 Q HN 0.955 nan 8.270 nan 0.000 0.396 74 G N 2.350 111.234 108.800 0.141 0.000 3.768 74 G HA2 0.025 3.985 3.960 -0.000 0.000 0.109 74 G HA3 0.025 3.985 3.960 -0.000 0.000 0.109 74 G C -0.733 174.266 174.900 0.166 0.000 1.126 74 G CA -0.027 45.158 45.100 0.142 0.000 1.143 74 G HN 0.614 nan 8.290 nan 0.000 0.407 75 K N 0.332 120.738 120.400 0.010 0.000 2.313 75 K HA 0.773 5.092 4.320 -0.000 0.000 0.235 75 K C -0.597 175.863 176.600 -0.234 0.000 1.035 75 K CA -0.861 55.270 56.287 -0.261 0.000 0.868 75 K CB 1.639 33.855 32.500 -0.473 0.000 1.232 75 K HN 0.825 nan 8.250 nan 0.000 0.459 76 W N -0.385 120.558 121.300 -0.596 0.000 3.029 76 W HA 0.679 5.339 4.660 -0.000 0.000 0.339 76 W C -1.426 174.744 176.519 -0.582 0.000 1.198 76 W CA -0.588 56.403 57.345 -0.589 0.000 1.148 76 W CB 1.225 30.192 29.460 -0.821 0.000 1.451 76 W HN 0.831 nan 8.180 nan 0.000 0.564 77 E N 0.924 121.140 120.200 0.027 0.000 2.321 77 E HA 0.589 4.939 4.350 -0.000 0.000 0.278 77 E C -0.980 175.758 176.600 0.231 0.000 0.902 77 E CA -0.475 55.904 56.400 -0.036 0.000 0.758 77 E CB 2.343 31.978 29.700 -0.108 0.000 1.213 77 E HN 0.827 nan 8.360 nan 0.000 0.426 78 G N 2.395 111.346 108.800 0.251 0.000 2.645 78 G HA2 0.416 4.376 3.960 -0.000 0.000 0.292 78 G HA3 0.416 4.376 3.960 -0.000 0.000 0.292 78 G C -1.443 173.566 174.900 0.181 0.000 1.415 78 G CA -0.686 44.559 45.100 0.243 0.000 0.785 78 G HN 0.458 nan 8.290 nan 0.000 0.483 79 E N 0.008 120.301 120.200 0.155 0.000 2.176 79 E HA 0.451 4.801 4.350 -0.000 0.000 0.267 79 E C -0.480 176.222 176.600 0.169 0.000 0.893 79 E CA -0.490 55.995 56.400 0.142 0.000 0.761 79 E CB 2.494 32.267 29.700 0.121 0.000 1.133 79 E HN 0.267 nan 8.360 nan 0.000 0.409 80 L N 2.115 123.431 121.223 0.156 0.000 2.395 80 L HA 0.653 4.993 4.340 -0.000 0.000 0.269 80 L C 0.744 177.709 176.870 0.158 0.000 1.133 80 L CA -0.038 54.895 54.840 0.155 0.000 0.812 80 L CB 0.948 43.081 42.059 0.122 0.000 1.125 80 L HN 0.698 nan 8.230 nan 0.000 0.452 81 G N 0.121 109.015 108.800 0.156 0.000 2.554 81 G HA2 0.605 4.564 3.960 -0.000 0.000 0.306 81 G HA3 0.605 4.564 3.960 -0.000 0.000 0.306 81 G C -1.314 173.633 174.900 0.078 0.000 1.320 81 G CA -0.023 45.122 45.100 0.074 0.000 0.800 81 G HN 0.595 nan 8.290 nan 0.000 0.481 82 T N -2.119 112.435 114.554 -0.000 0.000 2.896 82 T HA 0.774 5.123 4.350 -0.000 0.000 0.297 82 T C -1.531 173.228 174.700 0.098 0.000 1.108 82 T CA -0.599 61.542 62.100 0.068 0.000 1.004 82 T CB 2.985 71.871 68.868 0.030 0.000 1.159 82 T HN 0.686 nan 8.240 nan 0.000 0.499 83 D N -0.221 120.273 120.400 0.158 0.000 2.713 83 D HA 0.354 4.994 4.640 -0.000 0.000 0.306 83 D C -1.088 175.301 176.300 0.149 0.000 1.299 83 D CA -0.622 53.490 54.000 0.187 0.000 0.823 83 D CB 1.737 42.728 40.800 0.318 0.000 1.353 83 D HN 0.678 nan 8.370 nan 0.000 0.447 84 L N 0.867 122.169 121.223 0.132 0.000 2.350 84 L HA 0.593 4.932 4.340 -0.000 0.000 0.275 84 L C -0.265 176.674 176.870 0.114 0.000 1.099 84 L CA -0.672 54.230 54.840 0.102 0.000 0.808 84 L CB 1.374 43.479 42.059 0.077 0.000 1.149 84 L HN 0.086 nan 8.230 nan 0.000 0.442 85 V N 1.937 121.922 119.914 0.118 0.000 2.686 85 V HA 0.471 4.590 4.120 -0.000 0.000 0.306 85 V C -0.422 175.736 176.094 0.105 0.000 1.065 85 V CA -0.416 61.964 62.300 0.133 0.000 0.894 85 V CB 2.151 34.112 31.823 0.229 0.000 1.004 85 V HN 0.832 nan 8.190 nan 0.000 0.424 86 S N 4.108 119.844 115.700 0.060 0.000 2.634 86 S HA 0.737 5.207 4.470 -0.000 0.000 0.296 86 S C -0.720 173.885 174.600 0.009 0.000 1.104 86 S CA -0.607 57.618 58.200 0.041 0.000 0.920 86 S CB 1.941 65.151 63.200 0.018 0.000 1.111 86 S HN 0.561 nan 8.310 nan 0.000 0.493 87 I N 2.782 123.360 120.570 0.014 0.000 2.405 87 I HA 0.272 4.442 4.170 -0.000 0.000 0.280 87 I C -1.999 174.101 176.117 -0.027 0.000 1.027 87 I CA -2.244 59.053 61.300 -0.006 0.000 1.161 87 I CB 1.542 39.553 38.000 0.019 0.000 1.300 87 I HN 0.378 nan 8.210 nan 0.000 0.463 88 P HA -0.200 nan 4.420 nan 0.000 0.216 88 P C 0.685 177.797 177.300 -0.314 0.000 1.157 88 P CA 1.638 64.597 63.100 -0.236 0.000 0.880 88 P CB 0.039 31.527 31.700 -0.352 0.000 0.791 89 H N -1.165 117.929 119.070 0.040 0.000 2.655 89 H HA 0.491 5.046 4.556 -0.000 0.000 0.309 89 H C 1.062 176.428 175.328 0.063 0.000 1.180 89 H CA 0.136 56.213 56.048 0.049 0.000 1.087 89 H CB -0.330 29.458 29.762 0.043 0.000 1.494 89 H HN 0.134 nan 8.280 nan 0.000 0.515 90 G N 0.912 109.782 108.800 0.116 0.000 3.243 90 G HA2 0.342 4.302 3.960 -0.000 0.000 0.248 90 G HA3 0.342 4.302 3.960 -0.000 0.000 0.248 90 G C -2.603 172.365 174.900 0.114 0.000 1.267 90 G CA -1.319 43.855 45.100 0.123 0.000 0.906 90 G HN -0.062 nan 8.290 nan 0.000 0.592 91 P HA 0.124 nan 4.420 nan 0.000 0.271 91 P C -0.696 176.638 177.300 0.056 0.000 1.244 91 P CA -0.176 62.984 63.100 0.100 0.000 0.793 91 P CB 0.836 32.594 31.700 0.096 0.000 0.984 92 N N -0.169 118.556 118.700 0.042 0.000 3.324 92 N HA 0.270 5.009 4.740 -0.000 0.000 0.302 92 N C -0.498 175.019 175.510 0.012 0.000 1.360 92 N CA -0.298 52.766 53.050 0.022 0.000 1.190 92 N CB -0.552 37.947 38.487 0.019 0.000 1.462 92 N HN 0.195 nan 8.380 nan 0.000 0.532 93 V N -2.815 117.103 119.914 0.007 0.000 3.160 93 V HA 0.734 4.854 4.120 -0.000 0.000 0.310 93 V C -0.129 175.961 176.094 -0.006 0.000 1.181 93 V CA -0.704 61.589 62.300 -0.011 0.000 1.047 93 V CB 2.027 33.828 31.823 -0.036 0.000 1.068 93 V HN -0.015 nan 8.190 nan 0.000 0.441 94 T N 1.745 116.289 114.554 -0.016 0.000 2.879 94 T HA 0.689 5.039 4.350 -0.000 0.000 0.290 94 T C -0.657 174.029 174.700 -0.024 0.000 0.993 94 T CA -0.198 61.901 62.100 -0.001 0.000 0.975 94 T CB 1.378 70.251 68.868 0.008 0.000 0.981 94 T HN 1.583 nan 8.240 nan 0.000 0.439 95 V N 2.287 122.192 119.914 -0.015 0.000 2.864 95 V HA 0.774 4.893 4.120 -0.000 0.000 0.314 95 V C -0.416 175.677 176.094 -0.001 0.000 1.073 95 V CA -1.404 60.860 62.300 -0.061 0.000 0.956 95 V CB 1.903 33.610 31.823 -0.194 0.000 1.023 95 V HN 0.848 nan 8.190 nan 0.000 0.435 96 R N 3.270 123.761 120.500 -0.016 0.000 2.202 96 R HA 0.776 5.116 4.340 -0.000 0.000 0.334 96 R C -0.325 175.993 176.300 0.028 0.000 1.036 96 R CA 0.402 56.516 56.100 0.024 0.000 0.878 96 R CB 0.799 31.105 30.300 0.010 0.000 1.067 96 R HN 1.234 nan 8.270 nan 0.000 0.457 97 A N 4.320 127.205 122.820 0.109 0.000 2.401 97 A HA 0.409 4.728 4.320 -0.000 0.000 0.310 97 A C -0.969 176.741 177.584 0.210 0.000 1.075 97 A CA -1.079 51.060 52.037 0.170 0.000 0.746 97 A CB 1.232 20.437 19.000 0.342 0.000 1.277 97 A HN 0.812 nan 8.150 nan 0.000 0.425 98 N N 0.744 119.565 118.700 0.201 0.000 2.458 98 N HA 0.246 4.986 4.740 -0.000 0.000 0.258 98 N C -0.802 174.870 175.510 0.270 0.000 1.219 98 N CA 0.859 54.029 53.050 0.200 0.000 0.902 98 N CB 0.465 39.055 38.487 0.172 0.000 1.076 98 N HN 0.523 nan 8.380 nan 0.000 0.455 99 I N 0.818 121.488 120.570 0.166 0.000 2.512 99 I HA 0.279 4.449 4.170 -0.000 0.000 0.287 99 I C -0.277 175.858 176.117 0.029 0.000 1.069 99 I CA -1.014 60.281 61.300 -0.009 0.000 1.056 99 I CB 1.909 39.852 38.000 -0.096 0.000 1.229 99 I HN 0.359 nan 8.210 nan 0.000 0.429 100 A N 5.034 127.824 122.820 -0.049 0.000 2.310 100 A HA 0.719 5.039 4.320 -0.000 0.000 0.300 100 A C 0.397 177.948 177.584 -0.056 0.000 1.269 100 A CA -0.367 51.683 52.037 0.021 0.000 0.909 100 A CB 0.326 19.393 19.000 0.111 0.000 1.144 100 A HN 0.821 nan 8.150 nan 0.000 0.540 101 A N 4.221 127.090 122.820 0.082 0.000 2.376 101 A HA 0.511 4.831 4.320 -0.000 0.000 0.298 101 A C 0.173 177.790 177.584 0.054 0.000 1.271 101 A CA -0.303 51.794 52.037 0.099 0.000 0.926 101 A CB -0.453 18.626 19.000 0.131 0.000 1.141 101 A HN 0.767 nan 8.150 nan 0.000 0.539 102 I N 3.546 124.115 120.570 -0.002 0.000 2.505 102 I HA 0.068 4.237 4.170 -0.000 0.000 0.287 102 I C 1.432 177.598 176.117 0.083 0.000 1.104 102 I CA 0.359 61.674 61.300 0.025 0.000 1.387 102 I CB 0.924 38.897 38.000 -0.046 0.000 1.404 102 I HN 0.830 nan 8.210 nan 0.000 0.528 103 T N 0.872 115.479 114.554 0.089 0.000 2.975 103 T HA 0.236 4.586 4.350 -0.000 0.000 0.257 103 T C 0.304 175.044 174.700 0.066 0.000 1.003 103 T CA -0.242 61.892 62.100 0.057 0.000 0.932 103 T CB 0.465 69.359 68.868 0.045 0.000 1.087 103 T HN 0.629 nan 8.240 nan 0.000 0.512 104 E N 0.770 121.024 120.200 0.090 0.000 2.352 104 E HA 0.544 4.894 4.350 -0.000 0.000 0.280 104 E C -1.538 175.112 176.600 0.083 0.000 0.930 104 E CA -0.620 55.831 56.400 0.084 0.000 0.765 104 E CB 2.037 31.770 29.700 0.055 0.000 1.219 104 E HN 0.336 nan 8.360 nan 0.000 0.434 105 S N 2.193 117.955 115.700 0.103 0.000 2.625 105 S HA 0.614 5.084 4.470 -0.000 0.000 0.271 105 S C -1.570 173.088 174.600 0.097 0.000 1.161 105 S CA -0.991 57.251 58.200 0.070 0.000 0.820 105 S CB 1.831 65.058 63.200 0.046 0.000 1.137 105 S HN 0.523 nan 8.310 nan 0.000 0.470 106 D N -0.127 120.329 120.400 0.094 0.000 2.763 106 D HA 0.413 5.052 4.640 -0.000 0.000 0.235 106 D C -1.005 175.397 176.300 0.170 0.000 1.334 106 D CA -0.430 53.642 54.000 0.121 0.000 0.950 106 D CB 0.853 41.701 40.800 0.081 0.000 1.433 106 D HN 0.734 nan 8.370 nan 0.000 0.580 107 K N 2.293 122.809 120.400 0.193 0.000 3.035 107 K HA -0.249 4.071 4.320 -0.000 0.000 0.262 107 K C -0.149 176.603 176.600 0.252 0.000 1.024 107 K CA 0.628 57.040 56.287 0.208 0.000 0.748 107 K CB -1.125 31.479 32.500 0.173 0.000 1.247 107 K HN 0.478 nan 8.250 nan 0.000 0.482 108 F N 0.241 120.210 119.950 0.032 0.000 2.387 108 F HA 0.267 4.794 4.527 -0.000 0.000 0.278 108 F C 0.615 176.375 175.800 -0.067 0.000 1.010 108 F CA 0.024 58.002 58.000 -0.036 0.000 1.236 108 F CB 0.258 39.120 39.000 -0.230 0.000 1.137 108 F HN -0.088 nan 8.300 nan 0.000 0.604 109 F N 2.058 121.950 119.950 -0.097 0.000 2.459 109 F HA 0.292 4.819 4.527 -0.000 0.000 0.346 109 F C 0.243 175.949 175.800 -0.156 0.000 1.128 109 F CA -0.446 57.314 58.000 -0.401 0.000 1.268 109 F CB 0.008 38.757 39.000 -0.419 0.000 1.161 109 F HN -0.221 nan 8.300 nan 0.000 0.583 110 I N 2.373 122.842 120.570 -0.168 0.000 2.377 110 I HA 0.181 4.351 4.170 -0.000 0.000 0.293 110 I C -0.170 175.746 176.117 -0.334 0.000 0.987 110 I CA -0.958 60.245 61.300 -0.162 0.000 1.185 110 I CB 1.409 39.309 38.000 -0.165 0.000 1.341 110 I HN 0.441 nan 8.210 nan 0.000 0.455 111 N N 4.204 122.527 118.700 -0.627 0.000 2.442 111 N HA 0.280 5.020 4.740 -0.000 0.000 0.265 111 N C 0.684 175.898 175.510 -0.494 0.000 1.138 111 N CA 1.220 53.628 53.050 -1.070 0.000 0.956 111 N CB 0.903 38.541 38.487 -1.416 0.000 1.067 111 N HN 0.869 nan 8.380 nan 0.000 0.474 112 G N 1.419 110.002 108.800 -0.362 0.000 2.179 112 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.220 112 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.220 112 G C 0.162 174.992 174.900 -0.115 0.000 0.990 112 G CA 0.321 45.305 45.100 -0.193 0.000 0.646 112 G HN 0.951 nan 8.290 nan 0.000 0.517 113 S N -0.792 114.798 115.700 -0.182 0.000 2.669 113 S HA 0.569 5.039 4.470 -0.000 0.000 0.270 113 S C 0.642 175.169 174.600 -0.123 0.000 1.225 113 S CA 0.249 58.338 58.200 -0.185 0.000 0.991 113 S CB 1.712 64.635 63.200 -0.461 0.000 0.987 113 S HN 0.367 nan 8.310 nan 0.000 0.552 114 N N 0.661 119.255 118.700 -0.177 0.000 2.235 114 N HA 0.163 4.902 4.740 -0.000 0.000 0.231 114 N C -0.574 174.624 175.510 -0.521 0.000 1.177 114 N CA -0.530 52.302 53.050 -0.364 0.000 0.874 114 N CB 0.308 38.596 38.487 -0.332 0.000 1.097 114 N HN 0.813 nan 8.380 nan 0.000 0.518 115 W N 0.127 121.185 121.300 -0.404 0.000 2.706 115 W HA 0.515 5.175 4.660 -0.000 0.000 0.346 115 W C -0.741 175.698 176.519 -0.135 0.000 1.071 115 W CA -0.612 56.514 57.345 -0.364 0.000 1.206 115 W CB 0.716 30.008 29.460 -0.281 0.000 1.413 115 W HN -0.121 nan 8.180 nan 0.000 0.542 116 E N 1.173 121.509 120.200 0.227 0.000 2.715 116 E HA 0.362 4.712 4.350 -0.000 0.000 0.224 116 E C 0.419 177.240 176.600 0.367 0.000 0.962 116 E CA -0.022 56.440 56.400 0.104 0.000 1.145 116 E CB 1.460 31.158 29.700 -0.003 0.000 1.083 116 E HN 0.680 nan 8.360 nan 0.000 0.506 117 G N 0.171 109.299 108.800 0.546 0.000 2.548 117 G HA2 0.594 4.554 3.960 -0.000 0.000 0.301 117 G HA3 0.594 4.554 3.960 -0.000 0.000 0.301 117 G C -1.825 173.247 174.900 0.286 0.000 1.349 117 G CA -0.691 44.649 45.100 0.401 0.000 0.792 117 G HN 0.051 nan 8.290 nan 0.000 0.481 118 I N -0.128 120.547 120.570 0.175 0.000 2.607 118 I HA 0.598 4.768 4.170 -0.000 0.000 0.290 118 I C -1.667 174.553 176.117 0.171 0.000 1.129 118 I CA -1.084 60.271 61.300 0.093 0.000 1.042 118 I CB 1.965 40.063 38.000 0.163 0.000 1.242 118 I HN 0.480 nan 8.210 nan 0.000 0.421 119 L N 8.072 129.336 121.223 0.069 0.000 2.277 119 L HA 0.659 4.998 4.340 -0.000 0.000 0.284 119 L C 0.052 176.904 176.870 -0.029 0.000 1.028 119 L CA 0.022 54.861 54.840 -0.002 0.000 0.835 119 L CB 1.058 42.966 42.059 -0.253 0.000 1.215 119 L HN 0.626 nan 8.230 nan 0.000 0.425 120 G N 5.252 114.086 108.800 0.057 0.000 2.333 120 G HA2 0.415 4.375 3.960 -0.000 0.000 0.290 120 G HA3 0.415 4.375 3.960 -0.000 0.000 0.290 120 G C 0.353 175.250 174.900 -0.005 0.000 1.150 120 G CA -0.409 44.718 45.100 0.045 0.000 0.895 120 G HN 0.742 nan 8.290 nan 0.000 0.444 121 L N 1.896 123.077 121.223 -0.071 0.000 2.693 121 L HA 0.275 4.615 4.340 -0.000 0.000 0.235 121 L C 1.875 178.716 176.870 -0.049 0.000 1.127 121 L CA -0.082 54.670 54.840 -0.147 0.000 0.914 121 L CB 0.081 41.856 42.059 -0.474 0.000 1.193 121 L HN 0.601 nan 8.230 nan 0.000 0.502 122 A N -0.788 121.979 122.820 -0.089 0.000 2.336 122 A HA 0.404 4.724 4.320 -0.000 0.000 0.278 122 A C -0.730 176.614 177.584 -0.400 0.000 1.371 122 A CA -0.023 51.763 52.037 -0.418 0.000 0.842 122 A CB 0.023 18.850 19.000 -0.289 0.000 1.363 122 A HN 0.073 nan 8.150 nan 0.000 0.517 123 Y N -2.190 118.008 120.300 -0.171 0.000 2.432 123 Y HA 0.465 5.015 4.550 -0.000 0.000 0.322 123 Y C 1.617 177.511 175.900 -0.009 0.000 1.246 123 Y CA 0.158 58.226 58.100 -0.053 0.000 1.268 123 Y CB 1.106 39.540 38.460 -0.043 0.000 1.276 123 Y HN 0.655 nan 8.280 nan 0.000 0.499 124 A N 0.348 123.299 122.820 0.219 0.000 1.986 124 A HA -0.224 4.095 4.320 -0.000 0.000 0.220 124 A C 1.918 179.569 177.584 0.110 0.000 1.171 124 A CA 1.998 54.117 52.037 0.136 0.000 0.640 124 A CB -0.654 18.419 19.000 0.123 0.000 0.811 124 A HN 0.957 nan 8.150 nan 0.000 0.451 125 E N -0.533 119.748 120.200 0.134 0.000 2.171 125 E HA -0.205 4.145 4.350 -0.000 0.000 0.197 125 E C 1.525 178.188 176.600 0.105 0.000 0.997 125 E CA 1.566 58.040 56.400 0.123 0.000 0.810 125 E CB -0.253 29.555 29.700 0.180 0.000 0.738 125 E HN 0.935 nan 8.360 nan 0.000 0.467 126 I N -3.326 117.271 120.570 0.046 0.000 3.976 126 I HA 0.346 4.516 4.170 -0.000 0.000 0.337 126 I C 0.562 176.667 176.117 -0.019 0.000 1.359 126 I CA -0.590 60.684 61.300 -0.043 0.000 1.098 126 I CB 0.445 38.249 38.000 -0.328 0.000 1.027 126 I HN -0.220 nan 8.210 nan 0.000 0.394 127 A N 1.757 124.595 122.820 0.029 0.000 2.445 127 A HA 0.496 4.816 4.320 -0.000 0.000 0.242 127 A C 0.086 177.695 177.584 0.041 0.000 1.075 127 A CA -0.037 52.033 52.037 0.055 0.000 0.777 127 A CB 0.265 19.312 19.000 0.079 0.000 1.013 127 A HN 0.552 nan 8.150 nan 0.000 0.493 128 R N 1.704 122.230 120.500 0.043 0.000 2.589 128 R HA 0.449 4.789 4.340 -0.000 0.000 0.293 128 R C -1.825 174.497 176.300 0.035 0.000 0.963 128 R CA -1.701 54.402 56.100 0.005 0.000 0.905 128 R CB 1.633 31.885 30.300 -0.080 0.000 1.144 128 R HN 0.561 nan 8.270 nan 0.000 0.459 129 P HA -0.016 nan 4.420 nan 0.000 0.236 129 P C -1.033 176.274 177.300 0.011 0.000 1.177 129 P CA 0.862 63.962 63.100 0.000 0.000 0.773 129 P CB 0.292 31.995 31.700 0.006 0.000 0.878 130 D N -2.089 118.327 120.400 0.027 0.000 2.665 130 D HA 0.074 4.714 4.640 -0.000 0.000 0.287 130 D C -0.118 176.207 176.300 0.042 0.000 1.266 130 D CA -0.664 53.354 54.000 0.030 0.000 0.830 130 D CB -0.270 40.545 40.800 0.024 0.000 1.356 130 D HN -0.322 nan 8.370 nan 0.000 0.437 131 D N -0.714 119.712 120.400 0.043 0.000 2.392 131 D HA -0.111 4.528 4.640 -0.000 0.000 0.228 131 D C 1.365 177.696 176.300 0.052 0.000 1.003 131 D CA 0.994 55.026 54.000 0.053 0.000 0.917 131 D CB -0.319 40.511 40.800 0.051 0.000 0.890 131 D HN 0.297 nan 8.370 nan 0.000 0.532 132 S N -0.485 115.241 115.700 0.044 0.000 2.461 132 S HA -0.039 4.431 4.470 -0.000 0.000 0.228 132 S C 0.889 175.520 174.600 0.051 0.000 1.005 132 S CA -0.507 57.718 58.200 0.042 0.000 0.942 132 S CB -0.551 62.669 63.200 0.033 0.000 0.776 132 S HN 0.245 nan 8.310 nan 0.000 0.514 133 L N 3.355 124.614 121.223 0.061 0.000 2.485 133 L HA 0.314 4.654 4.340 -0.000 0.000 0.279 133 L C 0.230 177.152 176.870 0.087 0.000 1.124 133 L CA 0.030 54.916 54.840 0.077 0.000 0.888 133 L CB -0.076 42.037 42.059 0.089 0.000 1.217 133 L HN 0.302 nan 8.230 nan 0.000 0.464 134 E N 7.103 127.352 120.200 0.080 0.000 2.328 134 E HA 0.151 4.501 4.350 -0.000 0.000 0.265 134 E C -2.158 174.504 176.600 0.104 0.000 1.057 134 E CA -1.665 54.782 56.400 0.079 0.000 0.916 134 E CB 0.581 30.311 29.700 0.050 0.000 0.993 134 E HN 0.452 nan 8.360 nan 0.000 0.446 135 P HA -0.085 nan 4.420 nan 0.000 0.268 135 P C 0.041 177.431 177.300 0.149 0.000 1.208 135 P CA -0.011 63.180 63.100 0.152 0.000 0.777 135 P CB 0.357 32.135 31.700 0.131 0.000 0.875 136 F N 2.574 122.551 119.950 0.044 0.000 2.087 136 F HA -0.269 4.258 4.527 -0.000 0.000 0.299 136 F C 1.930 177.708 175.800 -0.037 0.000 1.100 136 F CA 1.664 59.643 58.000 -0.035 0.000 1.226 136 F CB -0.710 38.185 39.000 -0.175 0.000 0.983 136 F HN 0.232 nan 8.300 nan 0.000 0.479 137 F N 1.226 121.125 119.950 -0.085 0.000 2.186 137 F HA -0.130 4.397 4.527 -0.000 0.000 0.299 137 F C 2.040 177.740 175.800 -0.167 0.000 1.090 137 F CA 1.928 59.825 58.000 -0.171 0.000 1.307 137 F CB -0.671 38.312 39.000 -0.028 0.000 1.019 137 F HN -0.022 nan 8.300 nan 0.000 0.489 138 D N -0.421 120.009 120.400 0.051 0.000 2.106 138 D HA -0.207 4.433 4.640 -0.000 0.000 0.191 138 D C 2.431 178.645 176.300 -0.144 0.000 0.997 138 D CA 1.995 55.999 54.000 0.007 0.000 0.834 138 D CB -0.652 40.189 40.800 0.068 0.000 0.956 138 D HN 0.160 nan 8.370 nan 0.000 0.448 139 S N 0.129 115.707 115.700 -0.202 0.000 2.370 139 S HA -0.157 4.313 4.470 -0.000 0.000 0.226 139 S C 1.791 176.161 174.600 -0.383 0.000 1.033 139 S CA 0.517 58.566 58.200 -0.253 0.000 1.011 139 S CB -0.387 62.670 63.200 -0.239 0.000 0.852 139 S HN 0.175 nan 8.310 nan 0.000 0.457 140 L N 1.816 122.654 121.223 -0.642 0.000 2.012 140 L HA -0.042 4.298 4.340 -0.000 0.000 0.210 140 L C 2.231 178.819 176.870 -0.469 0.000 1.073 140 L CA 1.681 56.113 54.840 -0.681 0.000 0.748 140 L CB -0.834 40.618 42.059 -1.012 0.000 0.891 140 L HN 0.160 nan 8.230 nan 0.000 0.431 141 V N -0.649 118.995 119.914 -0.450 0.000 2.379 141 V HA -0.227 3.893 4.120 -0.000 0.000 0.245 141 V C 2.628 178.627 176.094 -0.158 0.000 1.044 141 V CA 1.804 63.944 62.300 -0.268 0.000 1.036 141 V CB -0.420 31.305 31.823 -0.162 0.000 0.664 141 V HN 0.470 nan 8.190 nan 0.000 0.453 142 K N -0.380 119.931 120.400 -0.148 0.000 2.097 142 K HA -0.172 4.148 4.320 -0.000 0.000 0.205 142 K C 2.064 178.590 176.600 -0.124 0.000 1.050 142 K CA 1.464 57.691 56.287 -0.100 0.000 0.938 142 K CB 0.011 32.464 32.500 -0.078 0.000 0.718 142 K HN 0.512 nan 8.250 nan 0.000 0.442 143 Q N -0.520 119.179 119.800 -0.167 0.000 2.384 143 Q HA 0.029 4.369 4.340 -0.000 0.000 0.207 143 Q C 0.268 176.145 176.000 -0.205 0.000 0.904 143 Q CA 0.582 56.287 55.803 -0.164 0.000 0.933 143 Q CB 1.208 29.853 28.738 -0.155 0.000 1.077 143 Q HN 0.333 nan 8.270 nan 0.000 0.522 144 T N -3.659 110.756 114.554 -0.231 0.000 2.693 144 T HA 0.256 4.606 4.350 -0.000 0.000 0.278 144 T C 0.168 174.692 174.700 -0.292 0.000 0.994 144 T CA -0.804 61.134 62.100 -0.270 0.000 1.033 144 T CB 1.022 69.783 68.868 -0.179 0.000 1.342 144 T HN -0.005 nan 8.240 nan 0.000 0.538 145 H N -0.416 118.633 119.070 -0.036 0.000 2.519 145 H HA 0.400 4.956 4.556 -0.000 0.000 0.289 145 H C 0.180 175.508 175.328 -0.001 0.000 1.040 145 H CA -0.204 55.835 56.048 -0.015 0.000 1.165 145 H CB -0.315 29.445 29.762 -0.003 0.000 1.462 145 H HN 0.269 nan 8.280 nan 0.000 0.555 146 V N 3.869 123.815 119.914 0.054 0.000 2.529 146 V HA 0.033 4.153 4.120 -0.000 0.000 0.292 146 V C -1.745 174.395 176.094 0.076 0.000 1.028 146 V CA -1.105 61.228 62.300 0.055 0.000 1.074 146 V CB 0.728 32.531 31.823 -0.034 0.000 0.958 146 V HN 0.157 nan 8.190 nan 0.000 0.481 147 P HA 0.053 nan 4.420 nan 0.000 0.269 147 P C -0.093 177.329 177.300 0.204 0.000 1.209 147 P CA -0.259 62.932 63.100 0.153 0.000 0.776 147 P CB 0.298 32.098 31.700 0.167 0.000 0.876 148 N N 3.236 122.061 118.700 0.208 0.000 2.971 148 N HA 0.163 4.903 4.740 -0.000 0.000 0.294 148 N C -0.721 174.991 175.510 0.338 0.000 1.210 148 N CA 0.120 53.367 53.050 0.329 0.000 1.157 148 N CB -1.252 37.388 38.487 0.254 0.000 1.450 148 N HN 0.352 nan 8.380 nan 0.000 0.527 149 L N -1.112 120.347 121.223 0.393 0.000 2.794 149 L HA 0.726 5.066 4.340 -0.000 0.000 0.261 149 L C -1.661 175.358 176.870 0.248 0.000 0.989 149 L CA -1.206 53.746 54.840 0.188 0.000 0.900 149 L CB 1.268 43.351 42.059 0.040 0.000 1.473 149 L HN 0.002 nan 8.230 nan 0.000 0.414 150 F N -0.135 119.763 119.950 -0.087 0.000 2.626 150 F HA 0.951 5.478 4.527 -0.000 0.000 0.311 150 F C -0.886 174.845 175.800 -0.114 0.000 1.088 150 F CA -0.329 57.602 58.000 -0.116 0.000 0.949 150 F CB 1.695 40.550 39.000 -0.242 0.000 1.322 150 F HN 0.741 nan 8.300 nan 0.000 0.461 151 S N 1.807 117.486 115.700 -0.036 0.000 2.549 151 S HA 0.853 5.323 4.470 -0.000 0.000 0.280 151 S C -1.612 172.992 174.600 0.007 0.000 1.109 151 S CA -0.843 57.225 58.200 -0.218 0.000 0.905 151 S CB 1.918 64.807 63.200 -0.518 0.000 1.081 151 S HN 0.877 nan 8.310 nan 0.000 0.477 152 L N 1.779 122.979 121.223 -0.038 0.000 2.381 152 L HA 0.547 4.886 4.340 -0.000 0.000 0.274 152 L C -0.455 176.495 176.870 0.133 0.000 0.988 152 L CA -0.359 54.525 54.840 0.073 0.000 0.824 152 L CB 2.070 44.177 42.059 0.079 0.000 1.263 152 L HN 0.776 nan 8.230 nan 0.000 0.410 153 Q N 4.984 124.898 119.800 0.190 0.000 2.425 153 Q HA 0.471 4.811 4.340 -0.000 0.000 0.254 153 Q C -1.540 174.446 176.000 -0.024 0.000 1.032 153 Q CA -0.559 55.338 55.803 0.157 0.000 0.798 153 Q CB 1.088 29.908 28.738 0.137 0.000 1.210 153 Q HN 0.612 nan 8.270 nan 0.000 0.491 154 L N 3.672 124.827 121.223 -0.112 0.000 2.264 154 L HA 0.332 4.672 4.340 -0.000 0.000 0.289 154 L C 0.407 177.247 176.870 -0.051 0.000 1.044 154 L CA -0.716 53.932 54.840 -0.320 0.000 0.807 154 L CB 0.913 42.611 42.059 -0.603 0.000 1.192 154 L HN 0.784 nan 8.230 nan 0.000 0.425 155 c N 1.156 119.802 118.600 0.077 0.000 3.544 155 c HA 0.463 5.033 4.570 -0.000 0.000 0.276 155 c C 1.227 175.414 174.090 0.162 0.000 1.526 155 c CA 0.451 56.846 56.329 0.109 0.000 1.636 155 c CB -0.369 42.188 42.510 0.079 0.000 1.986 155 c HN 1.077 nan 8.230 nan 0.000 0.666 156 G N 0.784 109.697 108.800 0.188 0.000 2.884 156 G HA2 0.444 4.404 3.960 -0.000 0.000 0.261 156 G HA3 0.444 4.404 3.960 -0.000 0.000 0.261 156 G C 0.032 174.964 174.900 0.054 0.000 1.025 156 G CA 0.080 45.253 45.100 0.121 0.000 1.228 156 G HN 2.256 nan 8.290 nan 0.000 0.558 169 S N 0.759 116.443 115.700 -0.027 0.000 2.549 169 S HA 0.479 4.949 4.470 -0.000 0.000 0.283 169 S C 0.490 175.055 174.600 -0.059 0.000 1.320 169 S CA 0.269 58.444 58.200 -0.042 0.000 1.058 169 S CB -0.167 63.016 63.200 -0.029 0.000 0.882 169 S HN 1.984 nan 8.310 nan 0.000 0.498 170 V N 2.793 122.640 119.914 -0.112 0.000 2.966 170 V HA 1.054 5.174 4.120 -0.000 0.000 0.317 170 V C 0.625 176.675 176.094 -0.072 0.000 1.070 170 V CA -0.156 62.080 62.300 -0.108 0.000 1.008 170 V CB 1.124 32.788 31.823 -0.264 0.000 1.070 170 V HN 1.015 nan 8.190 nan 0.000 0.457 171 G N -0.858 107.979 108.800 0.062 0.000 2.708 171 G HA2 0.916 4.876 3.960 -0.000 0.000 0.289 171 G HA3 0.916 4.876 3.960 -0.000 0.000 0.289 171 G C -0.484 174.523 174.900 0.178 0.000 1.416 171 G CA -0.307 44.839 45.100 0.076 0.000 0.829 171 G HN 1.710 nan 8.290 nan 0.000 0.480 172 G N -1.433 107.418 108.800 0.085 0.000 2.321 172 G HA2 0.572 4.532 3.960 -0.000 0.000 0.296 172 G HA3 0.572 4.532 3.960 -0.000 0.000 0.296 172 G C -1.413 173.490 174.900 0.005 0.000 1.287 172 G CA -0.037 45.082 45.100 0.032 0.000 0.846 172 G HN 1.214 nan 8.290 nan 0.000 0.508 173 S N -0.184 115.518 115.700 0.002 0.000 2.571 173 S HA 0.622 5.092 4.470 -0.000 0.000 0.284 173 S C -0.474 174.152 174.600 0.043 0.000 1.128 173 S CA -0.489 57.726 58.200 0.025 0.000 0.970 173 S CB 1.622 64.843 63.200 0.034 0.000 1.039 173 S HN 0.786 nan 8.310 nan 0.000 0.485 174 M N 5.094 124.719 119.600 0.042 0.000 2.044 174 M HA 0.467 4.947 4.480 -0.000 0.000 0.333 174 M C -1.588 174.762 176.300 0.083 0.000 1.004 174 M CA -0.669 54.666 55.300 0.058 0.000 0.954 174 M CB 0.090 32.694 32.600 0.007 0.000 1.468 174 M HN 0.436 nan 8.290 nan 0.000 0.414 175 I N 6.858 127.480 120.570 0.086 0.000 2.312 175 I HA 0.291 4.461 4.170 -0.000 0.000 0.291 175 I C -0.128 176.014 176.117 0.043 0.000 1.031 175 I CA -0.320 60.986 61.300 0.010 0.000 1.293 175 I CB 0.216 38.130 38.000 -0.145 0.000 1.403 175 I HN 0.725 nan 8.210 nan 0.000 0.484 176 I N 5.201 125.842 120.570 0.117 0.000 2.321 176 I HA 0.390 4.560 4.170 -0.000 0.000 0.291 176 I C 1.131 177.392 176.117 0.240 0.000 0.998 176 I CA -0.140 61.308 61.300 0.246 0.000 1.227 176 I CB 1.440 39.590 38.000 0.251 0.000 1.368 176 I HN 0.866 nan 8.210 nan 0.000 0.466 177 G N 4.109 113.083 108.800 0.290 0.000 2.157 177 G HA2 -0.108 3.852 3.960 -0.000 0.000 0.248 177 G HA3 -0.108 3.852 3.960 -0.000 0.000 0.248 177 G C 0.245 175.243 174.900 0.163 0.000 0.979 177 G CA -0.117 45.140 45.100 0.262 0.000 0.650 177 G HN 1.184 nan 8.290 nan 0.000 0.529 178 G N -1.314 107.415 108.800 -0.118 0.000 2.428 178 G HA2 0.605 4.565 3.960 -0.000 0.000 0.304 178 G HA3 0.605 4.565 3.960 -0.000 0.000 0.304 178 G C -1.494 173.096 174.900 -0.518 0.000 1.303 178 G CA -0.377 44.514 45.100 -0.347 0.000 0.825 178 G HN 0.791 nan 8.290 nan 0.000 0.484 179 I N 0.755 121.063 120.570 -0.436 0.000 2.465 179 I HA 0.369 4.539 4.170 -0.000 0.000 0.291 179 I C -1.396 174.552 176.117 -0.283 0.000 1.014 179 I CA -0.704 60.452 61.300 -0.240 0.000 1.093 179 I CB 2.339 40.265 38.000 -0.124 0.000 1.267 179 I HN 0.329 nan 8.210 nan 0.000 0.431 180 D N 4.960 125.283 120.400 -0.129 0.000 2.414 180 D HA 0.222 4.862 4.640 -0.000 0.000 0.232 180 D C 0.831 177.032 176.300 -0.165 0.000 1.070 180 D CA -0.272 53.667 54.000 -0.103 0.000 0.839 180 D CB 0.865 41.650 40.800 -0.025 0.000 1.079 180 D HN 0.483 nan 8.370 nan 0.000 0.521 181 H N 1.655 120.771 119.070 0.077 0.000 2.524 181 H HA -0.081 4.475 4.556 -0.000 0.000 0.282 181 H C 1.905 177.049 175.328 -0.306 0.000 1.016 181 H CA 1.003 56.967 56.048 -0.140 0.000 1.270 181 H CB 0.195 29.891 29.762 -0.111 0.000 1.394 181 H HN 0.416 nan 8.280 nan 0.000 0.568 182 S N 0.925 116.578 115.700 -0.078 0.000 2.442 182 S HA -0.072 4.398 4.470 -0.000 0.000 0.236 182 S C 1.970 176.471 174.600 -0.165 0.000 1.007 182 S CA 0.533 58.670 58.200 -0.105 0.000 0.965 182 S CB -0.606 62.565 63.200 -0.048 0.000 0.773 182 S HN 0.324 nan 8.310 nan 0.000 0.504 183 L N 0.328 121.394 121.223 -0.262 0.000 2.554 183 L HA 0.272 4.612 4.340 -0.000 0.000 0.226 183 L C 0.529 177.263 176.870 -0.227 0.000 1.137 183 L CA -0.030 54.588 54.840 -0.370 0.000 0.863 183 L CB -0.452 41.133 42.059 -0.789 0.000 0.985 183 L HN 0.624 nan 8.230 nan 0.000 0.451 184 Y N -2.637 117.522 120.300 -0.235 0.000 2.625 184 Y HA 0.618 5.168 4.550 -0.000 0.000 0.338 184 Y C -0.355 175.557 175.900 0.020 0.000 1.123 184 Y CA -1.413 56.658 58.100 -0.048 0.000 1.046 184 Y CB 1.079 39.576 38.460 0.062 0.000 1.299 184 Y HN -0.122 nan 8.280 nan 0.000 0.464 185 T N -0.471 114.175 114.554 0.152 0.000 2.912 185 T HA 0.744 5.094 4.350 -0.000 0.000 0.288 185 T C 0.481 175.302 174.700 0.203 0.000 1.030 185 T CA -0.038 62.099 62.100 0.061 0.000 1.020 185 T CB 1.010 69.910 68.868 0.054 0.000 1.056 185 T HN 2.267 nan 8.240 nan 0.000 0.480 186 G N 1.662 110.537 108.800 0.126 0.000 2.552 186 G HA2 -0.104 3.856 3.960 -0.000 0.000 0.265 186 G HA3 -0.104 3.856 3.960 -0.000 0.000 0.265 186 G C 0.028 175.092 174.900 0.273 0.000 1.234 186 G CA -0.005 45.197 45.100 0.170 0.000 0.944 186 G HN 1.547 nan 8.290 nan 0.000 0.568 187 S N -1.075 114.764 115.700 0.230 0.000 2.537 187 S HA 0.712 5.182 4.470 -0.000 0.000 0.301 187 S C 0.196 174.793 174.600 -0.004 0.000 1.092 187 S CA -0.609 57.659 58.200 0.114 0.000 1.048 187 S CB 0.962 64.131 63.200 -0.050 0.000 1.053 187 S HN 0.770 nan 8.310 nan 0.000 0.501 188 L N 3.519 124.605 121.223 -0.230 0.000 2.331 188 L HA 0.384 4.724 4.340 -0.000 0.000 0.278 188 L C -0.988 175.472 176.870 -0.683 0.000 1.106 188 L CA -0.294 54.245 54.840 -0.502 0.000 0.824 188 L CB 0.551 42.191 42.059 -0.699 0.000 1.142 188 L HN 0.677 nan 8.230 nan 0.000 0.443 189 W N 2.741 123.607 121.300 -0.723 0.000 2.529 189 W HA 0.466 5.125 4.660 -0.000 0.000 0.321 189 W C -0.713 175.174 176.519 -1.054 0.000 1.047 189 W CA -0.261 56.508 57.345 -0.960 0.000 1.216 189 W CB 1.049 29.617 29.460 -1.486 0.000 1.357 189 W HN 0.203 nan 8.180 nan 0.000 0.489 190 Y N 1.415 121.511 120.300 -0.340 0.000 2.409 190 Y HA 0.547 5.097 4.550 -0.000 0.000 0.339 190 Y C 0.540 176.610 175.900 0.282 0.000 1.033 190 Y CA -0.851 57.219 58.100 -0.050 0.000 1.094 190 Y CB 2.158 40.572 38.460 -0.077 0.000 1.210 190 Y HN 0.158 nan 8.280 nan 0.000 0.456 191 T N 4.526 119.407 114.554 0.545 0.000 2.856 191 T HA 0.509 4.859 4.350 -0.000 0.000 0.283 191 T C -2.873 171.999 174.700 0.287 0.000 1.008 191 T CA -2.635 59.744 62.100 0.464 0.000 0.997 191 T CB 1.064 70.173 68.868 0.402 0.000 0.992 191 T HN 0.245 nan 8.240 nan 0.000 0.454 192 P HA 0.305 nan 4.420 nan 0.000 0.271 192 P C -0.485 176.919 177.300 0.174 0.000 1.216 192 P CA -0.277 62.921 63.100 0.163 0.000 0.776 192 P CB 0.256 32.034 31.700 0.130 0.000 0.881 193 I N 3.454 124.129 120.570 0.176 0.000 2.421 193 I HA 0.098 4.268 4.170 -0.000 0.000 0.291 193 I C 2.012 178.232 176.117 0.172 0.000 1.089 193 I CA 0.085 61.516 61.300 0.218 0.000 1.354 193 I CB 0.320 38.482 38.000 0.270 0.000 1.413 193 I HN 0.432 nan 8.210 nan 0.000 0.513 194 R N 5.596 126.210 120.500 0.190 0.000 2.115 194 R HA 0.010 4.349 4.340 -0.000 0.000 0.230 194 R C 0.679 177.053 176.300 0.123 0.000 1.111 194 R CA 1.147 57.339 56.100 0.153 0.000 0.976 194 R CB 0.278 30.684 30.300 0.178 0.000 0.870 194 R HN 0.622 nan 8.270 nan 0.000 0.445 195 R N -0.134 120.476 120.500 0.184 0.000 2.561 195 R HA 0.088 4.428 4.340 -0.000 0.000 0.266 195 R C -1.634 174.769 176.300 0.172 0.000 1.091 195 R CA -0.453 55.708 56.100 0.102 0.000 0.927 195 R CB 1.479 31.765 30.300 -0.024 0.000 1.240 195 R HN 0.020 nan 8.270 nan 0.000 0.449 196 E N 4.983 125.108 120.200 -0.125 0.000 1.852 196 E HA 0.067 4.417 4.350 -0.000 0.000 0.276 196 E C -0.202 176.311 176.600 -0.145 0.000 1.163 196 E CA 0.014 56.046 56.400 -0.612 0.000 1.117 196 E CB 0.201 29.208 29.700 -1.155 0.000 1.124 196 E HN 0.476 nan 8.360 nan 0.000 0.458 197 W N 1.324 122.581 121.300 -0.071 0.000 4.502 197 W HA 0.180 4.840 4.660 -0.000 0.000 0.167 197 W C -0.216 176.311 176.519 0.014 0.000 3.423 197 W CA -0.277 57.079 57.345 0.018 0.000 1.274 197 W CB -0.634 28.834 29.460 0.014 0.000 2.073 197 W HN 0.009 nan 8.180 nan 0.000 0.398 198 Y N 0.724 120.695 120.300 -0.549 0.000 2.240 198 Y HA 0.202 4.752 4.550 -0.000 0.000 0.341 198 Y C -0.034 175.785 175.900 -0.136 0.000 1.326 198 Y CA -0.127 57.734 58.100 -0.398 0.000 1.569 198 Y CB -0.070 38.049 38.460 -0.570 0.000 1.426 198 Y HN -0.158 nan 8.280 nan 0.000 0.587 199 Y N 0.947 121.429 120.300 0.303 0.000 2.568 199 Y HA 0.102 4.652 4.550 -0.000 0.000 0.338 199 Y C 0.382 176.435 175.900 0.255 0.000 1.245 199 Y CA -0.430 57.872 58.100 0.338 0.000 1.667 199 Y CB -0.487 38.192 38.460 0.365 0.000 1.568 199 Y HN 0.400 nan 8.280 nan 0.000 0.471 200 E N 2.668 123.081 120.200 0.356 0.000 2.289 200 E HA 0.445 4.795 4.350 -0.000 0.000 0.278 200 E C -0.633 176.131 176.600 0.275 0.000 1.032 200 E CA -0.440 56.143 56.400 0.304 0.000 0.854 200 E CB 0.820 30.790 29.700 0.450 0.000 1.046 200 E HN 0.436 nan 8.360 nan 0.000 0.409 201 V N 1.563 121.605 119.914 0.214 0.000 3.164 201 V HA 0.652 4.772 4.120 -0.000 0.000 0.313 201 V C -0.488 175.687 176.094 0.134 0.000 1.188 201 V CA -0.965 61.438 62.300 0.173 0.000 1.058 201 V CB 1.706 33.624 31.823 0.159 0.000 1.110 201 V HN 0.581 nan 8.190 nan 0.000 0.453 202 I N 1.450 122.077 120.570 0.095 0.000 2.447 202 I HA 0.485 4.655 4.170 -0.000 0.000 0.287 202 I C -0.814 175.311 176.117 0.013 0.000 1.023 202 I CA -0.401 60.946 61.300 0.079 0.000 1.083 202 I CB 1.861 39.916 38.000 0.093 0.000 1.245 202 I HN 0.509 nan 8.210 nan 0.000 0.434 203 I N 6.525 127.101 120.570 0.010 0.000 2.395 203 I HA 0.120 4.290 4.170 -0.000 0.000 0.289 203 I C 1.136 177.259 176.117 0.010 0.000 1.023 203 I CA -0.175 61.084 61.300 -0.068 0.000 1.350 203 I CB 1.603 39.524 38.000 -0.132 0.000 1.409 203 I HN 0.509 nan 8.210 nan 0.000 0.507 204 V N 2.851 122.738 119.914 -0.045 0.000 3.635 204 V HA 0.416 4.536 4.120 -0.000 0.000 0.266 204 V C 0.465 176.543 176.094 -0.026 0.000 1.316 204 V CA 0.069 62.376 62.300 0.012 0.000 1.060 204 V CB 0.027 31.840 31.823 -0.017 0.000 0.820 204 V HN 0.871 nan 8.190 nan 0.000 0.447 205 R N -0.333 120.060 120.500 -0.179 0.000 2.634 205 R HA 0.670 5.009 4.340 -0.000 0.000 0.263 205 R C -2.509 173.575 176.300 -0.360 0.000 1.060 205 R CA -0.345 55.581 56.100 -0.290 0.000 0.898 205 R CB 2.564 32.513 30.300 -0.585 0.000 1.253 205 R HN 0.049 nan 8.270 nan 0.000 0.461 206 V N 2.633 122.307 119.914 -0.401 0.000 2.623 206 V HA 0.457 4.576 4.120 -0.000 0.000 0.304 206 V C -0.861 175.159 176.094 -0.122 0.000 1.054 206 V CA -0.746 61.361 62.300 -0.322 0.000 0.882 206 V CB 1.917 33.402 31.823 -0.563 0.000 1.002 206 V HN 0.777 nan 8.190 nan 0.000 0.424 207 E N 3.993 124.165 120.200 -0.047 0.000 2.222 207 E HA 0.631 4.981 4.350 -0.000 0.000 0.267 207 E C -1.365 175.229 176.600 -0.011 0.000 0.884 207 E CA -0.688 55.706 56.400 -0.010 0.000 0.764 207 E CB 2.959 32.686 29.700 0.045 0.000 1.169 207 E HN 0.555 nan 8.360 nan 0.000 0.413 208 I N 3.143 123.715 120.570 0.004 0.000 2.355 208 I HA 0.154 4.324 4.170 -0.000 0.000 0.288 208 I C 0.896 177.041 176.117 0.047 0.000 0.999 208 I CA 0.044 61.361 61.300 0.028 0.000 1.163 208 I CB 0.653 38.668 38.000 0.026 0.000 1.316 208 I HN 0.702 nan 8.210 nan 0.000 0.454 209 N N 4.809 123.549 118.700 0.067 0.000 2.815 209 N HA -0.208 4.532 4.740 -0.000 0.000 0.247 209 N C 0.767 176.304 175.510 0.046 0.000 1.030 209 N CA 0.822 53.912 53.050 0.067 0.000 0.881 209 N CB -0.258 38.274 38.487 0.074 0.000 1.134 209 N HN 1.134 nan 8.380 nan 0.000 0.582 210 G N 0.023 108.843 108.800 0.034 0.000 2.167 210 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.194 210 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.194 210 G C -0.581 174.331 174.900 0.020 0.000 1.027 210 G CA 0.268 45.386 45.100 0.029 0.000 0.717 210 G HN 0.509 nan 8.290 nan 0.000 0.501 211 Q N 0.139 119.946 119.800 0.012 0.000 2.292 211 Q HA 0.424 4.764 4.340 -0.000 0.000 0.270 211 Q C -0.986 175.006 176.000 -0.012 0.000 1.024 211 Q CA -1.037 54.766 55.803 -0.000 0.000 0.768 211 Q CB 2.168 30.908 28.738 0.004 0.000 1.250 211 Q HN 0.247 nan 8.270 nan 0.000 0.447 212 D N 1.533 121.916 120.400 -0.029 0.000 2.400 212 D HA 0.019 4.659 4.640 -0.000 0.000 0.238 212 D C 0.067 176.364 176.300 -0.005 0.000 1.157 212 D CA -0.047 53.931 54.000 -0.037 0.000 0.889 212 D CB 0.968 41.729 40.800 -0.065 0.000 1.199 212 D HN 0.334 nan 8.370 nan 0.000 0.436 213 L N 2.796 124.040 121.223 0.036 0.000 2.653 213 L HA 0.156 4.496 4.340 -0.000 0.000 0.231 213 L C 0.965 177.857 176.870 0.036 0.000 1.153 213 L CA 0.110 54.982 54.840 0.054 0.000 0.933 213 L CB -0.911 41.224 42.059 0.127 0.000 1.175 213 L HN 0.477 nan 8.230 nan 0.000 0.473 214 K N -0.262 120.147 120.400 0.016 0.000 3.100 214 K HA -0.244 4.076 4.320 -0.000 0.000 0.261 214 K C 0.241 176.812 176.600 -0.049 0.000 0.920 214 K CA 0.901 57.177 56.287 -0.019 0.000 0.683 214 K CB -1.261 31.222 32.500 -0.029 0.000 1.349 214 K HN 0.382 nan 8.250 nan 0.000 0.473 215 M N 1.139 120.698 119.600 -0.068 0.000 2.268 215 M HA 0.088 4.567 4.480 -0.000 0.000 0.344 215 M C -0.047 176.075 176.300 -0.296 0.000 1.106 215 M CA -0.620 54.556 55.300 -0.207 0.000 1.010 215 M CB 1.179 33.592 32.600 -0.311 0.000 1.649 215 M HN 0.022 nan 8.290 nan 0.000 0.443 216 D N 3.698 123.954 120.400 -0.241 0.000 2.854 216 D HA -0.110 4.530 4.640 -0.000 0.000 0.243 216 D C 1.323 177.416 176.300 -0.344 0.000 1.243 216 D CA 0.068 53.935 54.000 -0.220 0.000 0.883 216 D CB 0.473 41.163 40.800 -0.183 0.000 1.145 216 D HN 0.798 nan 8.370 nan 0.000 0.555 217 c N 3.408 121.858 118.600 -0.250 0.000 2.401 217 c HA -0.094 4.476 4.570 -0.000 0.000 0.286 217 c C 2.283 176.294 174.090 -0.132 0.000 1.332 217 c CA 0.336 56.541 56.329 -0.207 0.000 1.795 217 c CB -0.814 41.764 42.510 0.113 0.000 1.922 217 c HN 0.689 nan 8.230 nan 0.000 0.520 218 K N 0.856 121.189 120.400 -0.112 0.000 2.211 218 K HA -0.132 4.188 4.320 -0.000 0.000 0.204 218 K C 2.206 178.753 176.600 -0.088 0.000 1.047 218 K CA 1.537 57.796 56.287 -0.048 0.000 0.935 218 K CB -0.070 32.399 32.500 -0.052 0.000 0.728 218 K HN 0.586 nan 8.250 nan 0.000 0.452 219 E N -0.133 119.940 120.200 -0.212 0.000 2.047 219 E HA -0.197 4.153 4.350 -0.000 0.000 0.191 219 E C 1.884 178.463 176.600 -0.035 0.000 0.987 219 E CA 1.344 57.632 56.400 -0.186 0.000 0.799 219 E CB -0.516 29.012 29.700 -0.288 0.000 0.752 219 E HN 0.517 nan 8.360 nan 0.000 0.449 220 Y N 1.377 121.690 120.300 0.022 0.000 2.348 220 Y HA -0.170 4.380 4.550 -0.000 0.000 0.285 220 Y C 1.177 177.105 175.900 0.048 0.000 1.173 220 Y CA 0.713 58.829 58.100 0.026 0.000 1.263 220 Y CB -0.066 38.393 38.460 -0.001 0.000 0.974 220 Y HN 0.045 nan 8.280 nan 0.000 0.547 221 N N -1.131 117.690 118.700 0.202 0.000 2.480 221 N HA 0.004 4.744 4.740 -0.000 0.000 0.281 221 N C -1.308 174.320 175.510 0.197 0.000 1.381 221 N CA -0.123 53.038 53.050 0.184 0.000 0.903 221 N CB 0.213 38.814 38.487 0.191 0.000 1.274 221 N HN 0.152 nan 8.380 nan 0.000 0.505 222 Y N 2.939 123.227 120.300 -0.020 0.000 2.434 222 Y HA 0.167 4.717 4.550 -0.000 0.000 0.341 222 Y C 0.749 176.612 175.900 -0.061 0.000 0.965 222 Y CA -1.578 56.441 58.100 -0.136 0.000 1.205 222 Y CB 0.498 38.844 38.460 -0.190 0.000 1.121 222 Y HN 0.067 nan 8.280 nan 0.000 0.507 223 D N 3.416 123.656 120.400 -0.267 0.000 2.340 223 D HA 0.098 4.738 4.640 -0.000 0.000 0.217 223 D C -0.328 176.130 176.300 0.262 0.000 1.081 223 D CA 0.187 54.229 54.000 0.070 0.000 0.842 223 D CB 0.403 41.300 40.800 0.162 0.000 0.934 223 D HN 0.371 nan 8.370 nan 0.000 0.511 224 K N -0.499 119.976 120.400 0.124 0.000 2.532 224 K HA 0.487 4.807 4.320 -0.000 0.000 0.265 224 K C -1.421 175.217 176.600 0.063 0.000 0.948 224 K CA -0.682 55.673 56.287 0.114 0.000 0.842 224 K CB 2.504 34.970 32.500 -0.055 0.000 1.392 224 K HN -0.196 nan 8.250 nan 0.000 0.436 225 S N 2.100 117.849 115.700 0.083 0.000 2.557 225 S HA 0.662 5.132 4.470 -0.000 0.000 0.291 225 S C -0.851 173.779 174.600 0.051 0.000 1.116 225 S CA -0.842 57.389 58.200 0.051 0.000 0.992 225 S CB 0.956 64.200 63.200 0.073 0.000 1.028 225 S HN 0.593 nan 8.310 nan 0.000 0.484 226 I N -0.992 119.592 120.570 0.023 0.000 2.994 226 I HA 0.798 4.967 4.170 -0.000 0.000 0.306 226 I C -1.509 174.682 176.117 0.123 0.000 1.195 226 I CA -1.277 60.061 61.300 0.063 0.000 1.001 226 I CB 1.884 39.830 38.000 -0.089 0.000 1.244 226 I HN 0.303 nan 8.210 nan 0.000 0.437 227 V N 2.684 122.735 119.914 0.229 0.000 2.370 227 V HA 0.487 4.607 4.120 -0.000 0.000 0.283 227 V C -0.968 175.288 176.094 0.271 0.000 1.023 227 V CA 0.032 62.483 62.300 0.251 0.000 0.857 227 V CB 1.034 33.024 31.823 0.278 0.000 0.985 227 V HN 0.762 nan 8.190 nan 0.000 0.443 228 D N 2.691 123.202 120.400 0.185 0.000 2.386 228 D HA 0.232 4.872 4.640 -0.000 0.000 0.247 228 D C 1.019 177.376 176.300 0.095 0.000 1.336 228 D CA -0.058 54.025 54.000 0.137 0.000 0.976 228 D CB 1.933 42.790 40.800 0.095 0.000 1.257 228 D HN 0.482 nan 8.370 nan 0.000 0.570 229 S N 1.288 117.028 115.700 0.067 0.000 2.474 229 S HA -0.007 4.463 4.470 -0.000 0.000 0.235 229 S C 1.802 176.421 174.600 0.033 0.000 0.997 229 S CA 0.688 58.906 58.200 0.030 0.000 0.949 229 S CB 0.066 63.243 63.200 -0.039 0.000 0.766 229 S HN 0.405 nan 8.310 nan 0.000 0.517 230 G N 0.388 109.196 108.800 0.014 0.000 2.985 230 G HA2 0.281 4.240 3.960 -0.000 0.000 0.209 230 G HA3 0.281 4.240 3.960 -0.000 0.000 0.209 230 G C 0.115 175.010 174.900 -0.008 0.000 1.165 230 G CA 0.007 45.096 45.100 -0.020 0.000 0.776 230 G HN 0.478 nan 8.290 nan 0.000 0.541 231 T N 0.010 114.577 114.554 0.021 0.000 2.823 231 T HA 0.377 4.727 4.350 -0.000 0.000 0.279 231 T C 1.248 175.972 174.700 0.040 0.000 0.998 231 T CA -0.374 61.736 62.100 0.016 0.000 0.994 231 T CB 1.975 70.849 68.868 0.010 0.000 0.960 231 T HN -0.041 nan 8.240 nan 0.000 0.448 232 T N 2.374 116.947 114.554 0.032 0.000 2.851 232 T HA 0.024 4.374 4.350 -0.000 0.000 0.262 232 T C 0.915 175.635 174.700 0.033 0.000 1.043 232 T CA 0.799 62.927 62.100 0.046 0.000 1.140 232 T CB -0.111 68.776 68.868 0.032 0.000 0.872 232 T HN 0.477 nan 8.240 nan 0.000 0.446 233 N N 1.390 120.094 118.700 0.006 0.000 2.530 233 N HA 0.271 5.010 4.740 -0.000 0.000 0.277 233 N C -0.839 174.663 175.510 -0.013 0.000 1.168 233 N CA -0.386 52.652 53.050 -0.020 0.000 0.979 233 N CB 0.865 39.323 38.487 -0.047 0.000 1.141 233 N HN 0.192 nan 8.380 nan 0.000 0.459 234 L N 3.165 124.371 121.223 -0.028 0.000 2.418 234 L HA 0.172 4.512 4.340 -0.000 0.000 0.274 234 L C -0.325 176.517 176.870 -0.047 0.000 1.135 234 L CA 0.200 55.022 54.840 -0.030 0.000 0.870 234 L CB -0.059 41.973 42.059 -0.046 0.000 1.154 234 L HN 0.471 nan 8.230 nan 0.000 0.462 235 R N 6.089 126.571 120.500 -0.030 0.000 2.480 235 R HA 0.624 4.963 4.340 -0.000 0.000 0.306 235 R C -1.330 174.969 176.300 -0.002 0.000 0.958 235 R CA -0.760 55.316 56.100 -0.039 0.000 0.861 235 R CB 2.004 32.269 30.300 -0.057 0.000 1.171 235 R HN 0.571 nan 8.270 nan 0.000 0.445 236 L N 3.490 124.735 121.223 0.038 0.000 2.342 236 L HA 0.573 4.913 4.340 -0.000 0.000 0.271 236 L C -2.331 174.604 176.870 0.109 0.000 1.008 236 L CA -2.688 52.220 54.840 0.115 0.000 0.818 236 L CB 1.999 44.196 42.059 0.230 0.000 1.296 236 L HN 0.263 nan 8.230 nan 0.000 0.427 237 P HA 0.080 nan 4.420 nan 0.000 0.270 237 P C -0.007 177.388 177.300 0.157 0.000 1.223 237 P CA -0.290 62.864 63.100 0.091 0.000 0.785 237 P CB 0.587 32.355 31.700 0.114 0.000 0.923 238 K N 1.381 121.858 120.400 0.127 0.000 2.015 238 K HA -0.275 4.045 4.320 -0.000 0.000 0.220 238 K C 1.856 178.584 176.600 0.212 0.000 1.055 238 K CA 2.007 58.399 56.287 0.175 0.000 0.951 238 K CB -0.413 32.164 32.500 0.128 0.000 0.725 238 K HN 0.378 nan 8.250 nan 0.000 0.449 239 K N 0.756 121.245 120.400 0.148 0.000 2.057 239 K HA -0.098 4.221 4.320 -0.000 0.000 0.206 239 K C 2.119 178.762 176.600 0.072 0.000 1.050 239 K CA 1.098 57.436 56.287 0.085 0.000 0.935 239 K CB 0.067 32.588 32.500 0.035 0.000 0.715 239 K HN -0.028 nan 8.250 nan 0.000 0.439 240 V N 0.958 120.935 119.914 0.105 0.000 2.343 240 V HA -0.233 3.886 4.120 -0.000 0.000 0.247 240 V C 1.972 178.153 176.094 0.145 0.000 1.051 240 V CA 1.761 64.135 62.300 0.124 0.000 1.036 240 V CB -0.574 31.371 31.823 0.202 0.000 0.654 240 V HN 0.308 nan 8.190 nan 0.000 0.451 241 F N 1.294 121.281 119.950 0.062 0.000 2.102 241 F HA -0.181 4.346 4.527 -0.000 0.000 0.298 241 F C 2.461 178.291 175.800 0.049 0.000 1.105 241 F CA 2.259 60.297 58.000 0.062 0.000 1.239 241 F CB -0.357 38.682 39.000 0.065 0.000 0.991 241 F HN 0.209 nan 8.300 nan 0.000 0.474 242 E N 0.172 120.337 120.200 -0.058 0.000 2.070 242 E HA -0.270 4.080 4.350 -0.000 0.000 0.197 242 E C 2.235 178.695 176.600 -0.234 0.000 1.004 242 E CA 1.335 57.628 56.400 -0.179 0.000 0.805 242 E CB -0.367 29.336 29.700 0.004 0.000 0.744 242 E HN 0.512 nan 8.360 nan 0.000 0.451 243 A N 1.039 123.781 122.820 -0.130 0.000 1.898 243 A HA 0.036 4.356 4.320 -0.000 0.000 0.214 243 A C 2.378 179.883 177.584 -0.132 0.000 1.183 243 A CA 1.487 53.458 52.037 -0.109 0.000 0.622 243 A CB -0.764 18.207 19.000 -0.048 0.000 0.824 243 A HN 0.401 nan 8.150 nan 0.000 0.444 244 A N -0.182 122.569 122.820 -0.114 0.000 1.873 244 A HA -0.218 4.102 4.320 -0.000 0.000 0.219 244 A C 2.224 179.684 177.584 -0.206 0.000 1.269 244 A CA 2.488 54.457 52.037 -0.113 0.000 0.671 244 A CB -1.405 17.561 19.000 -0.057 0.000 0.842 244 A HN 0.557 nan 8.150 nan 0.000 0.460 245 V N 0.711 120.371 119.914 -0.423 0.000 2.332 245 V HA -0.337 3.783 4.120 -0.000 0.000 0.248 245 V C 2.606 178.426 176.094 -0.457 0.000 1.055 245 V CA 2.713 64.713 62.300 -0.500 0.000 1.038 245 V CB -0.808 30.527 31.823 -0.814 0.000 0.651 245 V HN 0.810 nan 8.190 nan 0.000 0.450 246 K N 0.097 120.282 120.400 -0.358 0.000 2.034 246 K HA -0.253 4.067 4.320 -0.000 0.000 0.214 246 K C 2.187 178.657 176.600 -0.217 0.000 1.051 246 K CA 2.439 58.564 56.287 -0.270 0.000 0.931 246 K CB -0.375 32.016 32.500 -0.182 0.000 0.715 246 K HN 0.440 nan 8.250 nan 0.000 0.446 247 S N 0.436 116.042 115.700 -0.156 0.000 2.406 247 S HA 0.033 4.503 4.470 -0.000 0.000 0.228 247 S C 1.860 176.424 174.600 -0.059 0.000 1.020 247 S CA 1.013 59.159 58.200 -0.089 0.000 0.965 247 S CB -0.163 63.007 63.200 -0.051 0.000 0.798 247 S HN 0.290 nan 8.310 nan 0.000 0.488 248 I N 1.510 122.035 120.570 -0.074 0.000 2.252 248 I HA -0.185 3.985 4.170 -0.000 0.000 0.245 248 I C 2.455 178.587 176.117 0.025 0.000 1.102 248 I CA 1.150 62.483 61.300 0.055 0.000 1.385 248 I CB -0.264 37.821 38.000 0.142 0.000 1.064 248 I HN 0.229 nan 8.210 nan 0.000 0.414 249 K N 1.614 121.824 120.400 -0.317 0.000 2.063 249 K HA -0.190 4.129 4.320 -0.000 0.000 0.208 249 K C 2.088 178.628 176.600 -0.100 0.000 1.048 249 K CA 1.782 57.843 56.287 -0.377 0.000 0.928 249 K CB -0.137 31.920 32.500 -0.738 0.000 0.713 249 K HN 0.288 nan 8.250 nan 0.000 0.442 250 A N 0.481 123.240 122.820 -0.102 0.000 1.970 250 A HA 0.125 4.444 4.320 -0.000 0.000 0.216 250 A C 2.280 179.859 177.584 -0.009 0.000 1.170 250 A CA 1.211 53.216 52.037 -0.053 0.000 0.645 250 A CB -0.657 18.306 19.000 -0.063 0.000 0.816 250 A HN 0.451 nan 8.150 nan 0.000 0.447 251 A N 0.333 123.166 122.820 0.022 0.000 2.024 251 A HA -0.056 4.264 4.320 -0.000 0.000 0.220 251 A C 2.032 179.652 177.584 0.058 0.000 1.164 251 A CA 2.025 54.097 52.037 0.058 0.000 0.643 251 A CB -0.566 18.500 19.000 0.110 0.000 0.806 251 A HN 1.076 nan 8.150 nan 0.000 0.451 252 S N -1.861 113.887 115.700 0.080 0.000 2.664 252 S HA 0.255 4.725 4.470 -0.000 0.000 0.245 252 S C 0.990 175.583 174.600 -0.012 0.000 1.019 252 S CA 0.455 58.678 58.200 0.038 0.000 0.996 252 S CB 0.176 63.494 63.200 0.197 0.000 0.878 252 S HN 0.256 nan 8.310 nan 0.000 0.493 253 S N 2.514 118.198 115.700 -0.026 0.000 2.419 253 S HA -0.132 4.337 4.470 -0.000 0.000 0.235 253 S C 1.932 176.474 174.600 -0.097 0.000 1.019 253 S CA 1.837 60.001 58.200 -0.060 0.000 0.982 253 S CB -0.842 62.330 63.200 -0.047 0.000 0.789 253 S HN 0.829 nan 8.310 nan 0.000 0.490 254 T N 1.156 115.655 114.554 -0.091 0.000 2.602 254 T HA -0.234 4.116 4.350 -0.000 0.000 0.264 254 T C 0.835 175.465 174.700 -0.116 0.000 1.085 254 T CA 1.570 63.614 62.100 -0.094 0.000 1.164 254 T CB -0.270 68.538 68.868 -0.098 0.000 0.860 254 T HN 0.565 nan 8.240 nan 0.000 0.442 255 E N 0.246 120.342 120.200 -0.173 0.000 2.277 255 E HA 0.473 4.823 4.350 -0.000 0.000 0.266 255 E C -1.144 175.097 176.600 -0.598 0.000 0.901 255 E CA -0.758 55.494 56.400 -0.246 0.000 0.782 255 E CB 1.396 31.047 29.700 -0.081 0.000 1.228 255 E HN 0.182 nan 8.360 nan 0.000 0.424 256 K N 1.945 121.978 120.400 -0.613 0.000 2.221 256 K HA 0.545 4.865 4.320 -0.000 0.000 0.243 256 K C -1.105 174.953 176.600 -0.903 0.000 0.968 256 K CA -0.562 55.302 56.287 -0.704 0.000 0.846 256 K CB 1.119 33.467 32.500 -0.253 0.000 1.141 256 K HN 0.294 nan 8.250 nan 0.000 0.434 257 F N 0.086 120.065 119.950 0.048 0.000 2.664 257 F HA 0.442 4.969 4.527 -0.000 0.000 0.317 257 F C -2.117 173.698 175.800 0.024 0.000 1.108 257 F CA -2.289 55.628 58.000 -0.139 0.000 0.957 257 F CB 0.402 39.043 39.000 -0.598 0.000 1.365 257 F HN 0.369 nan 8.300 nan 0.000 0.475 258 P HA 0.162 nan 4.420 nan 0.000 0.273 258 P C -0.358 177.134 177.300 0.320 0.000 1.250 258 P CA -0.104 63.112 63.100 0.193 0.000 0.793 258 P CB 0.986 32.760 31.700 0.123 0.000 1.011 259 D N 0.565 121.143 120.400 0.298 0.000 2.104 259 D HA -0.118 4.522 4.640 -0.000 0.000 0.194 259 D C 2.230 178.723 176.300 0.321 0.000 0.994 259 D CA 2.108 56.320 54.000 0.353 0.000 0.830 259 D CB -1.034 39.897 40.800 0.218 0.000 0.959 259 D HN 0.616 nan 8.370 nan 0.000 0.452 260 G N 0.161 109.086 108.800 0.210 0.000 2.440 260 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.218 260 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.218 260 G C 1.489 176.469 174.900 0.134 0.000 1.154 260 G CA 0.730 45.925 45.100 0.158 0.000 0.767 260 G HN 0.311 nan 8.290 nan 0.000 0.552 261 F N 0.610 120.530 119.950 -0.051 0.000 2.115 261 F HA -0.164 4.363 4.527 -0.000 0.000 0.300 261 F C 2.251 177.926 175.800 -0.208 0.000 1.092 261 F CA 1.701 59.574 58.000 -0.212 0.000 1.245 261 F CB -0.390 38.346 39.000 -0.441 0.000 0.995 261 F HN 0.262 nan 8.300 nan 0.000 0.481 262 W N -0.229 120.938 121.300 -0.222 0.000 2.467 262 W HA -0.043 4.617 4.660 -0.000 0.000 0.275 262 W C 1.493 178.043 176.519 0.050 0.000 1.239 262 W CA -0.130 57.005 57.345 -0.350 0.000 1.266 262 W CB -0.306 29.086 29.460 -0.113 0.000 1.112 262 W HN -0.061 nan 8.180 nan 0.000 0.576 263 L N 0.508 121.892 121.223 0.268 0.000 2.629 263 L HA 0.314 4.654 4.340 -0.000 0.000 0.230 263 L C 1.687 178.615 176.870 0.097 0.000 1.151 263 L CA 0.965 55.932 54.840 0.212 0.000 0.924 263 L CB -1.537 40.633 42.059 0.185 0.000 1.137 263 L HN 0.303 nan 8.230 nan 0.000 0.457 264 G N 0.569 109.400 108.800 0.051 0.000 2.225 264 G HA2 -0.329 3.630 3.960 -0.000 0.000 0.267 264 G HA3 -0.329 3.630 3.960 -0.000 0.000 0.267 264 G C 0.949 175.870 174.900 0.035 0.000 1.024 264 G CA 0.713 45.829 45.100 0.025 0.000 0.784 264 G HN 0.503 nan 8.290 nan 0.000 0.507 265 E N -1.126 119.104 120.200 0.050 0.000 2.447 265 E HA 0.165 4.515 4.350 -0.000 0.000 0.195 265 E C 0.946 177.580 176.600 0.058 0.000 1.028 265 E CA 0.566 56.999 56.400 0.055 0.000 0.876 265 E CB 0.405 30.146 29.700 0.068 0.000 0.885 265 E HN 0.638 nan 8.360 nan 0.000 0.500 266 Q N 0.836 120.679 119.800 0.072 0.000 2.377 266 Q HA 0.308 4.648 4.340 -0.000 0.000 0.279 266 Q C -1.665 174.401 176.000 0.111 0.000 1.049 266 Q CA -0.936 54.911 55.803 0.074 0.000 0.825 266 Q CB 1.355 30.134 28.738 0.070 0.000 1.401 266 Q HN 0.018 nan 8.270 nan 0.000 0.404 267 L N 0.809 122.076 121.223 0.075 0.000 2.439 267 L HA 0.808 5.148 4.340 -0.000 0.000 0.259 267 L C -0.435 176.441 176.870 0.011 0.000 1.129 267 L CA -0.699 54.198 54.840 0.096 0.000 0.803 267 L CB 0.364 42.456 42.059 0.054 0.000 1.161 267 L HN 0.425 nan 8.230 nan 0.000 0.462 268 V N -0.011 119.872 119.914 -0.051 0.000 2.769 268 V HA 0.732 4.852 4.120 -0.000 0.000 0.312 268 V C -0.797 175.035 176.094 -0.438 0.000 1.058 268 V CA -0.288 61.741 62.300 -0.451 0.000 0.952 268 V CB 1.771 33.007 31.823 -0.978 0.000 1.019 268 V HN 1.060 nan 8.190 nan 0.000 0.445 269 c N 4.927 123.104 118.600 -0.704 0.000 2.783 269 c HA 0.706 5.276 4.570 -0.000 0.000 0.312 269 c C -0.872 172.817 174.090 -0.668 0.000 1.182 269 c CA -1.149 54.921 56.329 -0.431 0.000 1.432 269 c CB 1.203 43.585 42.510 -0.214 0.000 1.933 269 c HN 0.929 nan 8.230 nan 0.000 0.473 270 W N 0.433 121.774 121.300 0.069 0.000 3.017 270 W HA 0.451 5.111 4.660 -0.000 0.000 0.341 270 W C -0.300 176.236 176.519 0.029 0.000 1.180 270 W CA -0.598 56.774 57.345 0.044 0.000 1.097 270 W CB 0.836 30.324 29.460 0.046 0.000 1.468 270 W HN 0.570 nan 8.180 nan 0.000 0.584 271 Q N 0.524 120.474 119.800 0.250 0.000 2.417 271 Q HA 0.381 4.720 4.340 -0.000 0.000 0.241 271 Q C 0.150 176.216 176.000 0.111 0.000 1.008 271 Q CA -0.225 55.655 55.803 0.128 0.000 0.901 271 Q CB 1.065 29.851 28.738 0.080 0.000 1.259 271 Q HN 0.415 nan 8.270 nan 0.000 0.489 272 A N 0.783 123.638 122.820 0.058 0.000 2.545 272 A HA 0.362 4.681 4.320 -0.000 0.000 0.253 272 A C 0.991 178.578 177.584 0.005 0.000 1.074 272 A CA 0.753 52.809 52.037 0.032 0.000 0.760 272 A CB -0.869 18.138 19.000 0.013 0.000 1.005 272 A HN 0.946 nan 8.150 nan 0.000 0.506 273 G N 2.180 110.967 108.800 -0.022 0.000 2.198 273 G HA2 -0.132 3.828 3.960 -0.000 0.000 0.257 273 G HA3 -0.132 3.828 3.960 -0.000 0.000 0.257 273 G C 0.487 175.316 174.900 -0.119 0.000 1.042 273 G CA 1.143 46.194 45.100 -0.082 0.000 0.791 273 G HN 2.270 nan 8.290 nan 0.000 0.502 274 T N -3.197 111.288 114.554 -0.115 0.000 3.399 274 T HA 0.468 4.818 4.350 -0.000 0.000 0.305 274 T C 0.513 175.058 174.700 -0.258 0.000 0.983 274 T CA 0.721 62.745 62.100 -0.127 0.000 0.967 274 T CB 0.556 69.422 68.868 -0.004 0.000 1.186 274 T HN 0.472 nan 8.240 nan 0.000 0.504 275 T N 4.587 118.876 114.554 -0.442 0.000 2.909 275 T HA 0.521 4.871 4.350 -0.000 0.000 0.289 275 T C -2.588 171.660 174.700 -0.753 0.000 1.005 275 T CA -1.119 60.508 62.100 -0.788 0.000 1.084 275 T CB 1.055 69.429 68.868 -0.824 0.000 0.975 275 T HN 0.144 nan 8.240 nan 0.000 0.509 276 P HA 0.195 nan 4.420 nan 0.000 0.274 276 P C 0.151 177.391 177.300 -0.101 0.000 1.504 276 P CA -0.583 62.285 63.100 -0.386 0.000 1.011 276 P CB 0.311 31.813 31.700 -0.331 0.000 1.366 277 W N 2.503 123.679 121.300 -0.206 0.000 2.315 277 W HA -0.198 4.462 4.660 -0.000 0.000 0.323 277 W C 1.905 178.396 176.519 -0.046 0.000 1.233 277 W CA 0.423 57.688 57.345 -0.133 0.000 1.267 277 W CB -0.478 28.864 29.460 -0.197 0.000 1.160 277 W HN 0.344 nan 8.180 nan 0.000 0.474 278 N N -0.016 118.754 118.700 0.117 0.000 2.446 278 N HA -0.070 4.670 4.740 -0.000 0.000 0.179 278 N C 1.347 176.850 175.510 -0.011 0.000 1.054 278 N CA 0.759 53.828 53.050 0.032 0.000 0.905 278 N CB -0.031 38.416 38.487 -0.067 0.000 0.973 278 N HN 0.105 nan 8.380 nan 0.000 0.448 279 I N 0.591 121.089 120.570 -0.120 0.000 3.176 279 I HA -0.040 4.130 4.170 -0.000 0.000 0.275 279 I C 0.215 176.125 176.117 -0.346 0.000 1.298 279 I CA 0.783 61.926 61.300 -0.261 0.000 1.445 279 I CB -1.058 36.706 38.000 -0.393 0.000 1.075 279 I HN -0.101 nan 8.210 nan 0.000 0.482 280 F N 2.905 122.940 119.950 0.141 0.000 2.450 280 F HA 0.440 4.967 4.527 -0.000 0.000 0.332 280 F C -1.947 173.974 175.800 0.201 0.000 1.093 280 F CA -2.361 55.774 58.000 0.226 0.000 1.003 280 F CB 1.257 40.380 39.000 0.204 0.000 1.151 280 F HN -0.185 nan 8.300 nan 0.000 0.474 281 P HA 0.234 nan 4.420 nan 0.000 0.279 281 P C -0.733 176.765 177.300 0.330 0.000 1.252 281 P CA -0.379 62.899 63.100 0.296 0.000 0.811 281 P CB 1.701 33.542 31.700 0.235 0.000 1.035 282 V N -0.050 119.989 119.914 0.209 0.000 3.051 282 V HA 0.315 4.435 4.120 -0.000 0.000 0.306 282 V C 0.234 176.418 176.094 0.150 0.000 1.083 282 V CA -0.268 62.140 62.300 0.179 0.000 1.104 282 V CB -0.194 31.688 31.823 0.098 0.000 1.027 282 V HN 0.231 nan 8.190 nan 0.000 0.483 283 I N 2.369 123.015 120.570 0.127 0.000 2.493 283 I HA 0.569 4.739 4.170 -0.000 0.000 0.298 283 I C 0.137 176.244 176.117 -0.017 0.000 0.998 283 I CA -0.316 61.003 61.300 0.031 0.000 1.137 283 I CB 1.152 39.146 38.000 -0.010 0.000 1.310 283 I HN 0.760 nan 8.210 nan 0.000 0.445 284 S N 6.255 121.911 115.700 -0.073 0.000 2.605 284 S HA 0.679 5.149 4.470 -0.000 0.000 0.308 284 S C -0.449 174.033 174.600 -0.197 0.000 1.113 284 S CA -0.556 57.546 58.200 -0.164 0.000 1.049 284 S CB 1.509 64.592 63.200 -0.194 0.000 1.001 284 S HN 0.358 nan 8.310 nan 0.000 0.480 285 L N 3.670 124.719 121.223 -0.290 0.000 2.296 285 L HA 0.544 4.883 4.340 -0.000 0.000 0.286 285 L C -1.199 175.417 176.870 -0.425 0.000 1.023 285 L CA -0.850 53.803 54.840 -0.311 0.000 0.812 285 L CB 0.670 42.530 42.059 -0.333 0.000 1.223 285 L HN 0.566 nan 8.230 nan 0.000 0.421 286 Y N 3.595 123.617 120.300 -0.463 0.000 2.327 286 Y HA 0.487 5.037 4.550 -0.000 0.000 0.336 286 Y C 0.200 175.788 175.900 -0.519 0.000 1.035 286 Y CA -0.355 57.442 58.100 -0.506 0.000 1.165 286 Y CB 1.102 39.310 38.460 -0.419 0.000 1.181 286 Y HN 0.349 nan 8.280 nan 0.000 0.494 287 L N 4.004 124.844 121.223 -0.639 0.000 2.334 287 L HA 0.489 4.829 4.340 -0.000 0.000 0.272 287 L C 0.179 176.826 176.870 -0.373 0.000 1.020 287 L CA -1.149 53.347 54.840 -0.574 0.000 0.812 287 L CB 1.470 43.014 42.059 -0.858 0.000 1.264 287 L HN 0.603 nan 8.230 nan 0.000 0.439 288 M N 1.197 120.723 119.600 -0.124 0.000 2.251 288 M HA 0.180 4.659 4.480 -0.000 0.000 0.343 288 M C 0.491 176.883 176.300 0.153 0.000 1.245 288 M CA 0.374 55.691 55.300 0.029 0.000 1.061 288 M CB 0.711 33.353 32.600 0.071 0.000 1.723 288 M HN 0.737 nan 8.290 nan 0.000 0.449 289 G N 3.187 112.127 108.800 0.233 0.000 2.532 289 G HA2 0.233 4.193 3.960 -0.000 0.000 0.291 289 G HA3 0.233 4.193 3.960 -0.000 0.000 0.291 289 G C 0.009 175.081 174.900 0.286 0.000 1.349 289 G CA -0.413 44.921 45.100 0.390 0.000 1.038 289 G HN 0.885 nan 8.290 nan 0.000 0.518 290 E N -1.642 118.722 120.200 0.273 0.000 2.371 290 E HA 0.062 4.412 4.350 -0.000 0.000 0.194 290 E C 0.158 176.832 176.600 0.123 0.000 1.012 290 E CA 0.272 56.773 56.400 0.167 0.000 0.860 290 E CB 0.404 30.174 29.700 0.117 0.000 0.811 290 E HN 0.058 nan 8.360 nan 0.000 0.502 291 V N 1.427 121.426 119.914 0.141 0.000 2.628 291 V HA 0.121 4.241 4.120 -0.000 0.000 0.306 291 V C 0.206 176.363 176.094 0.104 0.000 1.045 291 V CA -0.889 61.475 62.300 0.106 0.000 0.905 291 V CB 1.932 33.819 31.823 0.105 0.000 0.997 291 V HN -0.008 nan 8.190 nan 0.000 0.436 292 T N 4.637 119.237 114.554 0.078 0.000 2.891 292 T HA 0.009 4.358 4.350 -0.000 0.000 0.296 292 T C 0.945 175.690 174.700 0.075 0.000 1.025 292 T CA 0.828 62.969 62.100 0.069 0.000 1.149 292 T CB -0.351 68.548 68.868 0.051 0.000 1.007 292 T HN 0.864 nan 8.240 nan 0.000 0.528 293 N N 0.639 119.384 118.700 0.074 0.000 2.828 293 N HA -0.150 4.590 4.740 -0.000 0.000 0.248 293 N C -0.130 175.440 175.510 0.100 0.000 1.044 293 N CA 1.006 54.100 53.050 0.074 0.000 0.851 293 N CB -0.547 37.975 38.487 0.058 0.000 1.136 293 N HN 0.754 nan 8.380 nan 0.000 0.572 294 Q N 0.975 120.852 119.800 0.129 0.000 2.316 294 Q HA 0.571 4.911 4.340 -0.000 0.000 0.264 294 Q C -0.482 175.649 176.000 0.220 0.000 0.987 294 Q CA -0.215 55.695 55.803 0.178 0.000 0.852 294 Q CB 1.641 30.496 28.738 0.195 0.000 1.287 294 Q HN 0.307 nan 8.270 nan 0.000 0.448 295 S N 2.813 118.665 115.700 0.253 0.000 2.704 295 S HA 0.870 5.340 4.470 -0.000 0.000 0.296 295 S C -0.630 174.169 174.600 0.332 0.000 1.138 295 S CA -0.660 57.688 58.200 0.248 0.000 0.875 295 S CB 1.260 64.553 63.200 0.154 0.000 1.151 295 S HN 0.539 nan 8.310 nan 0.000 0.500 296 F N -1.171 118.794 119.950 0.025 0.000 2.650 296 F HA 0.904 5.430 4.527 -0.000 0.000 0.320 296 F C -0.621 174.970 175.800 -0.348 0.000 1.091 296 F CA -1.324 56.554 58.000 -0.204 0.000 0.962 296 F CB 1.277 39.970 39.000 -0.510 0.000 1.363 296 F HN 0.941 nan 8.300 nan 0.000 0.482 297 R N 1.868 122.086 120.500 -0.471 0.000 2.750 297 R HA 0.833 5.173 4.340 -0.000 0.000 0.281 297 R C -1.447 174.553 176.300 -0.499 0.000 0.972 297 R CA -0.957 54.647 56.100 -0.827 0.000 0.912 297 R CB 2.318 31.699 30.300 -1.531 0.000 1.187 297 R HN 0.966 nan 8.270 nan 0.000 0.464 298 I N -0.637 119.598 120.570 -0.559 0.000 2.404 298 I HA 0.535 4.705 4.170 -0.000 0.000 0.293 298 I C -1.057 174.933 176.117 -0.212 0.000 0.992 298 I CA -0.687 60.340 61.300 -0.454 0.000 1.149 298 I CB 2.440 39.873 38.000 -0.946 0.000 1.315 298 I HN 0.542 nan 8.210 nan 0.000 0.446 299 T N 7.513 122.088 114.554 0.036 0.000 2.809 299 T HA 0.565 4.914 4.350 -0.000 0.000 0.284 299 T C 0.238 175.032 174.700 0.155 0.000 0.992 299 T CA -0.481 61.649 62.100 0.050 0.000 0.957 299 T CB 1.520 70.382 68.868 -0.011 0.000 0.942 299 T HN 0.673 nan 8.240 nan 0.000 0.439 300 I N 0.998 121.637 120.570 0.114 0.000 4.126 300 I HA 0.767 4.937 4.170 -0.000 0.000 0.245 300 I C -1.230 174.911 176.117 0.041 0.000 1.367 300 I CA -1.350 59.981 61.300 0.053 0.000 1.178 300 I CB 1.019 39.076 38.000 0.096 0.000 1.495 300 I HN 0.443 nan 8.210 nan 0.000 0.561 301 L N -1.331 119.902 121.223 0.016 0.000 2.403 301 L HA 0.457 4.797 4.340 -0.000 0.000 0.253 301 L C -2.191 174.578 176.870 -0.168 0.000 1.045 301 L CA -1.484 53.328 54.840 -0.046 0.000 0.845 301 L CB 1.858 43.816 42.059 -0.167 0.000 1.447 301 L HN 0.251 nan 8.230 nan 0.000 0.411 302 P HA -0.153 nan 4.420 nan 0.000 0.220 302 P C 0.987 177.907 177.300 -0.633 0.000 1.148 302 P CA 0.918 63.377 63.100 -1.068 0.000 0.803 302 P CB 0.110 31.372 31.700 -0.729 0.000 0.782 303 Q N -0.343 119.185 119.800 -0.453 0.000 2.234 303 Q HA -0.210 4.130 4.340 -0.000 0.000 0.206 303 Q C 1.717 177.618 176.000 -0.164 0.000 0.980 303 Q CA 1.543 57.156 55.803 -0.317 0.000 0.869 303 Q CB -0.993 27.477 28.738 -0.445 0.000 0.912 303 Q HN 0.342 nan 8.270 nan 0.000 0.436 304 Q N 0.114 119.816 119.800 -0.164 0.000 2.165 304 Q HA -0.034 4.306 4.340 -0.000 0.000 0.197 304 Q C 1.570 177.574 176.000 0.007 0.000 0.952 304 Q CA 1.296 57.072 55.803 -0.045 0.000 0.848 304 Q CB -0.177 28.555 28.738 -0.010 0.000 0.931 304 Q HN 0.728 nan 8.270 nan 0.000 0.470 305 Y N -2.035 118.224 120.300 -0.068 0.000 2.466 305 Y HA 0.420 4.970 4.550 -0.000 0.000 0.272 305 Y C -0.394 175.440 175.900 -0.109 0.000 1.169 305 Y CA -0.500 57.527 58.100 -0.122 0.000 1.285 305 Y CB 0.364 38.719 38.460 -0.174 0.000 1.078 305 Y HN -0.139 nan 8.280 nan 0.000 0.523 306 L N 4.394 125.476 121.223 -0.235 0.000 2.301 306 L HA 0.402 4.742 4.340 -0.000 0.000 0.278 306 L C -0.376 176.591 176.870 0.162 0.000 1.022 306 L CA -1.449 53.343 54.840 -0.081 0.000 0.854 306 L CB 1.110 42.948 42.059 -0.368 0.000 1.226 306 L HN 0.313 nan 8.230 nan 0.000 0.429 307 R N 3.435 124.077 120.500 0.237 0.000 2.229 307 R HA 0.574 4.914 4.340 -0.000 0.000 0.332 307 R C -2.641 173.789 176.300 0.216 0.000 0.989 307 R CA -1.635 54.593 56.100 0.213 0.000 0.842 307 R CB 1.006 31.370 30.300 0.106 0.000 1.119 307 R HN 0.231 nan 8.270 nan 0.000 0.456 308 P HA 0.019 nan 4.420 nan 0.000 0.271 308 P C 0.044 177.228 177.300 -0.192 0.000 1.380 308 P CA -0.284 62.602 63.100 -0.357 0.000 0.992 308 P CB 0.796 32.250 31.700 -0.410 0.000 1.230 309 V N 4.471 124.300 119.914 -0.141 0.000 2.509 309 V HA -0.118 4.002 4.120 -0.000 0.000 0.297 309 V C 2.141 178.177 176.094 -0.096 0.000 1.014 309 V CA 0.537 62.791 62.300 -0.077 0.000 1.127 309 V CB -0.314 31.485 31.823 -0.040 0.000 0.925 309 V HN 0.595 nan 8.190 nan 0.000 0.480 310 E N 3.633 123.792 120.200 -0.067 0.000 1.997 310 E HA -0.169 4.181 4.350 -0.000 0.000 0.201 310 E C 0.048 176.614 176.600 -0.057 0.000 1.011 310 E CA 1.406 57.769 56.400 -0.062 0.000 0.847 310 E CB 0.223 29.898 29.700 -0.042 0.000 0.787 310 E HN 0.787 nan 8.360 nan 0.000 0.472 311 D N 0.947 121.320 120.400 -0.044 0.000 2.389 311 D HA 0.173 4.813 4.640 -0.000 0.000 0.256 311 D C -0.933 175.347 176.300 -0.033 0.000 1.239 311 D CA -0.254 53.724 54.000 -0.038 0.000 0.925 311 D CB 1.678 42.459 40.800 -0.031 0.000 1.145 311 D HN 0.124 nan 8.370 nan 0.000 0.542 312 V N -0.014 119.879 119.914 -0.034 0.000 2.555 312 V HA 0.513 4.633 4.120 -0.000 0.000 0.286 312 V C 1.410 177.489 176.094 -0.025 0.000 1.044 312 V CA -0.414 61.870 62.300 -0.028 0.000 1.026 312 V CB 1.247 33.054 31.823 -0.028 0.000 0.981 312 V HN 0.432 nan 8.190 nan 0.000 0.480 313 A N 3.463 126.269 122.820 -0.022 0.000 2.067 313 A HA -0.022 4.298 4.320 -0.000 0.000 0.219 313 A C 1.931 179.504 177.584 -0.018 0.000 1.158 313 A CA 1.643 53.668 52.037 -0.019 0.000 0.661 313 A CB -0.710 18.280 19.000 -0.018 0.000 0.801 313 A HN 1.290 nan 8.150 nan 0.000 0.452 314 T N -1.997 112.546 114.554 -0.018 0.000 3.188 314 T HA 0.355 4.705 4.350 -0.000 0.000 0.250 314 T C 0.370 175.057 174.700 -0.021 0.000 1.077 314 T CA 0.487 62.577 62.100 -0.017 0.000 0.967 314 T CB -0.639 68.220 68.868 -0.015 0.000 1.006 314 T HN 0.851 nan 8.240 nan 0.000 0.552 315 S N -0.507 115.179 115.700 -0.023 0.000 2.552 315 S HA 0.417 4.887 4.470 -0.000 0.000 0.272 315 S C -0.413 174.172 174.600 -0.025 0.000 1.150 315 S CA -0.880 57.305 58.200 -0.026 0.000 0.849 315 S CB 1.938 65.118 63.200 -0.033 0.000 1.113 315 S HN 0.094 nan 8.310 nan 0.000 0.458 316 Q N 0.205 119.992 119.800 -0.021 0.000 2.217 316 Q HA 0.276 4.616 4.340 -0.000 0.000 0.217 316 Q C -0.651 175.339 176.000 -0.016 0.000 0.844 316 Q CA -0.100 55.692 55.803 -0.019 0.000 0.957 316 Q CB 0.322 29.052 28.738 -0.014 0.000 1.127 316 Q HN 0.745 nan 8.270 nan 0.000 0.503 317 D N 0.296 120.687 120.400 -0.016 0.000 2.433 317 D HA 0.029 4.669 4.640 -0.000 0.000 0.255 317 D C -0.592 175.703 176.300 -0.009 0.000 1.226 317 D CA -0.051 53.948 54.000 -0.002 0.000 1.015 317 D CB 0.621 41.420 40.800 -0.000 0.000 1.091 317 D HN -0.060 nan 8.370 nan 0.000 0.527 318 D N 0.296 120.715 120.400 0.032 0.000 2.411 318 D HA 0.176 4.816 4.640 -0.000 0.000 0.225 318 D C -1.072 175.240 176.300 0.020 0.000 1.156 318 D CA -0.291 53.708 54.000 -0.002 0.000 0.874 318 D CB -0.155 40.706 40.800 0.101 0.000 1.034 318 D HN 0.131 nan 8.370 nan 0.000 0.502 319 c N 4.548 123.075 118.600 -0.122 0.000 2.322 319 c HA 0.486 5.056 4.570 -0.000 0.000 0.324 319 c C -0.337 173.682 174.090 -0.120 0.000 1.284 319 c CA -0.831 55.466 56.329 -0.054 0.000 1.606 319 c CB -0.522 41.954 42.510 -0.056 0.000 2.251 319 c HN 0.471 nan 8.230 nan 0.000 0.502 320 Y N 0.948 121.318 120.300 0.117 0.000 2.509 320 Y HA 0.551 5.101 4.550 -0.000 0.000 0.341 320 Y C 0.283 176.270 175.900 0.146 0.000 1.038 320 Y CA -0.707 57.483 58.100 0.150 0.000 1.089 320 Y CB 1.182 39.789 38.460 0.245 0.000 1.241 320 Y HN 0.525 nan 8.280 nan 0.000 0.468 321 K N 2.386 122.956 120.400 0.284 0.000 2.244 321 K HA 0.348 4.668 4.320 -0.000 0.000 0.260 321 K C -1.314 175.411 176.600 0.210 0.000 0.951 321 K CA -0.681 55.733 56.287 0.212 0.000 0.826 321 K CB 0.800 33.367 32.500 0.112 0.000 1.108 321 K HN 0.675 nan 8.250 nan 0.000 0.433 322 F N 3.561 123.486 119.950 -0.042 0.000 2.533 322 F HA 0.137 4.664 4.527 -0.000 0.000 0.378 322 F C 0.681 176.479 175.800 -0.004 0.000 1.070 322 F CA 0.041 57.971 58.000 -0.117 0.000 1.172 322 F CB 0.739 39.362 39.000 -0.628 0.000 1.085 322 F HN 0.709 nan 8.300 nan 0.000 0.552 323 A N 7.668 130.268 122.820 -0.367 0.000 2.327 323 A HA 0.298 4.618 4.320 -0.000 0.000 0.228 323 A C 0.327 177.697 177.584 -0.356 0.000 1.275 323 A CA -0.083 51.809 52.037 -0.240 0.000 0.875 323 A CB -0.836 18.117 19.000 -0.077 0.000 0.925 323 A HN 0.645 nan 8.150 nan 0.000 0.493 324 I N 0.457 120.609 120.570 -0.697 0.000 2.530 324 I HA 0.535 4.705 4.170 -0.000 0.000 0.297 324 I C 0.081 176.171 176.117 -0.045 0.000 1.011 324 I CA -0.477 60.613 61.300 -0.351 0.000 1.107 324 I CB 2.225 40.002 38.000 -0.372 0.000 1.285 324 I HN 0.250 nan 8.210 nan 0.000 0.436 325 S N 3.692 119.324 115.700 -0.113 0.000 2.636 325 S HA 0.498 4.968 4.470 -0.000 0.000 0.268 325 S C -1.308 172.982 174.600 -0.518 0.000 1.159 325 S CA -1.114 56.836 58.200 -0.418 0.000 0.815 325 S CB 1.827 64.891 63.200 -0.226 0.000 1.130 325 S HN 0.618 nan 8.310 nan 0.000 0.471 326 Q N 0.373 119.802 119.800 -0.618 0.000 2.195 326 Q HA 0.840 5.180 4.340 -0.000 0.000 0.250 326 Q C -0.565 175.322 176.000 -0.189 0.000 0.988 326 Q CA -0.938 54.616 55.803 -0.415 0.000 0.911 326 Q CB 1.574 30.063 28.738 -0.415 0.000 1.258 326 Q HN 0.818 nan 8.270 nan 0.000 0.475 327 S N -0.848 114.788 115.700 -0.107 0.000 2.567 327 S HA 0.308 4.777 4.470 -0.000 0.000 0.270 327 S C -0.599 173.952 174.600 -0.082 0.000 1.152 327 S CA -0.156 57.992 58.200 -0.086 0.000 0.835 327 S CB 1.351 64.501 63.200 -0.083 0.000 1.115 327 S HN 0.691 nan 8.310 nan 0.000 0.459 328 S N 0.719 116.366 115.700 -0.089 0.000 2.559 328 S HA 0.131 4.601 4.470 -0.000 0.000 0.226 328 S C 1.265 175.772 174.600 -0.155 0.000 1.000 328 S CA 0.741 58.867 58.200 -0.124 0.000 0.948 328 S CB -0.207 62.948 63.200 -0.076 0.000 0.870 328 S HN 0.992 nan 8.310 nan 0.000 0.497 329 T N -2.329 112.152 114.554 -0.121 0.000 3.023 329 T HA 0.615 4.964 4.350 -0.000 0.000 0.249 329 T C 1.184 175.794 174.700 -0.151 0.000 1.050 329 T CA 0.556 62.583 62.100 -0.122 0.000 1.088 329 T CB 0.263 69.068 68.868 -0.104 0.000 0.946 329 T HN 1.027 nan 8.240 nan 0.000 0.480 330 G N 0.724 109.445 108.800 -0.132 0.000 2.291 330 G HA2 0.234 4.194 3.960 -0.000 0.000 0.249 330 G HA3 0.234 4.194 3.960 -0.000 0.000 0.249 330 G C -0.935 173.932 174.900 -0.055 0.000 1.340 330 G CA -0.436 44.608 45.100 -0.095 0.000 1.017 330 G HN 0.336 nan 8.290 nan 0.000 0.470 331 T N 0.205 114.749 114.554 -0.017 0.000 2.907 331 T HA 0.533 4.882 4.350 -0.000 0.000 0.298 331 T C -0.213 174.469 174.700 -0.030 0.000 1.017 331 T CA 0.040 62.139 62.100 -0.001 0.000 1.118 331 T CB 1.587 70.474 68.868 0.032 0.000 0.948 331 T HN 1.082 nan 8.240 nan 0.000 0.531 332 V N 4.138 124.039 119.914 -0.021 0.000 2.488 332 V HA 0.285 4.404 4.120 -0.000 0.000 0.293 332 V C -0.298 175.804 176.094 0.014 0.000 1.027 332 V CA -0.702 61.589 62.300 -0.015 0.000 0.862 332 V CB 1.491 33.295 31.823 -0.032 0.000 1.008 332 V HN 0.894 nan 8.190 nan 0.000 0.428 333 M N 4.530 124.157 119.600 0.044 0.000 2.201 333 M HA 0.485 4.965 4.480 -0.000 0.000 0.345 333 M C 0.862 177.220 176.300 0.097 0.000 1.352 333 M CA 0.189 55.531 55.300 0.070 0.000 1.218 333 M CB 0.689 33.344 32.600 0.093 0.000 1.512 333 M HN 0.752 nan 8.290 nan 0.000 0.447 334 G N 1.091 109.938 108.800 0.077 0.000 2.857 334 G HA2 0.598 4.558 3.960 -0.000 0.000 0.217 334 G HA3 0.598 4.558 3.960 -0.000 0.000 0.217 334 G C 0.811 175.771 174.900 0.099 0.000 1.357 334 G CA -0.089 45.060 45.100 0.081 0.000 1.033 334 G HN 0.674 nan 8.290 nan 0.000 0.571 335 A N -1.233 121.646 122.820 0.100 0.000 1.997 335 A HA -0.054 4.266 4.320 -0.000 0.000 0.221 335 A C 2.515 180.163 177.584 0.106 0.000 1.172 335 A CA 2.246 54.355 52.037 0.121 0.000 0.645 335 A CB -0.774 18.331 19.000 0.176 0.000 0.813 335 A HN 0.531 nan 8.150 nan 0.000 0.454 336 V N 0.280 120.246 119.914 0.087 0.000 2.287 336 V HA -0.283 3.837 4.120 -0.000 0.000 0.248 336 V C 2.439 178.592 176.094 0.098 0.000 1.053 336 V CA 2.016 64.364 62.300 0.079 0.000 1.027 336 V CB -0.591 31.270 31.823 0.064 0.000 0.646 336 V HN 0.545 nan 8.190 nan 0.000 0.447 337 I N -0.767 119.883 120.570 0.133 0.000 2.193 337 I HA -0.175 3.995 4.170 -0.000 0.000 0.240 337 I C 2.441 178.749 176.117 0.318 0.000 1.084 337 I CA 1.803 63.243 61.300 0.233 0.000 1.365 337 I CB -0.940 37.183 38.000 0.206 0.000 1.064 337 I HN 0.297 nan 8.210 nan 0.000 0.410 338 M N 0.019 119.768 119.600 0.248 0.000 2.279 338 M HA -0.193 4.287 4.480 -0.000 0.000 0.264 338 M C 1.852 178.234 176.300 0.137 0.000 1.062 338 M CA 1.464 56.909 55.300 0.242 0.000 1.099 338 M CB -0.486 32.196 32.600 0.137 0.000 1.394 338 M HN 0.218 nan 8.290 nan 0.000 0.426 339 E N -0.034 120.208 120.200 0.069 0.000 2.409 339 E HA -0.085 4.265 4.350 -0.000 0.000 0.198 339 E C 1.961 178.517 176.600 -0.074 0.000 1.024 339 E CA 0.652 57.065 56.400 0.021 0.000 0.861 339 E CB -0.121 29.613 29.700 0.057 0.000 0.788 339 E HN 0.604 nan 8.360 nan 0.000 0.521 340 G N 0.035 108.672 108.800 -0.272 0.000 2.623 340 G HA2 -0.007 3.953 3.960 -0.000 0.000 0.214 340 G HA3 -0.007 3.953 3.960 -0.000 0.000 0.214 340 G C 0.134 174.401 174.900 -1.055 0.000 1.138 340 G CA 0.149 44.761 45.100 -0.813 0.000 0.794 340 G HN -0.003 nan 8.290 nan 0.000 0.535 341 F N -2.375 117.614 119.950 0.066 0.000 2.599 341 F HA 0.457 4.984 4.527 -0.000 0.000 0.311 341 F C -0.881 174.985 175.800 0.110 0.000 1.076 341 F CA -2.092 55.963 58.000 0.091 0.000 0.937 341 F CB 1.237 40.348 39.000 0.184 0.000 1.282 341 F HN -0.089 nan 8.300 nan 0.000 0.460 342 Y N 2.277 122.659 120.300 0.135 0.000 2.359 342 Y HA 0.607 5.157 4.550 -0.000 0.000 0.334 342 Y C -0.825 174.957 175.900 -0.196 0.000 1.058 342 Y CA -1.107 56.977 58.100 -0.026 0.000 1.244 342 Y CB 0.673 39.113 38.460 -0.033 0.000 1.187 342 Y HN 0.306 nan 8.280 nan 0.000 0.510 343 V N 7.256 126.846 119.914 -0.540 0.000 2.444 343 V HA 0.383 4.503 4.120 -0.000 0.000 0.294 343 V C -0.822 174.660 176.094 -1.021 0.000 1.022 343 V CA -1.046 60.730 62.300 -0.873 0.000 0.850 343 V CB 1.513 32.881 31.823 -0.760 0.000 0.992 343 V HN 0.525 nan 8.190 nan 0.000 0.426 344 V N 5.413 124.655 119.914 -1.120 0.000 2.347 344 V HA 0.437 4.557 4.120 -0.000 0.000 0.280 344 V C -0.563 174.976 176.094 -0.925 0.000 1.021 344 V CA -0.333 61.437 62.300 -0.883 0.000 0.847 344 V CB 1.231 32.660 31.823 -0.656 0.000 0.990 344 V HN 0.712 nan 8.190 nan 0.000 0.444 345 F N 2.860 122.284 119.950 -0.876 0.000 2.451 345 F HA 0.292 4.819 4.527 -0.000 0.000 0.356 345 F C 0.829 176.292 175.800 -0.562 0.000 1.178 345 F CA -0.642 56.799 58.000 -0.932 0.000 1.210 345 F CB 0.310 38.234 39.000 -1.793 0.000 1.504 345 F HN 0.417 nan 8.300 nan 0.000 0.598 346 D N 2.813 123.094 120.400 -0.197 0.000 2.558 346 D HA 0.112 4.752 4.640 -0.000 0.000 0.221 346 D C 1.469 177.798 176.300 0.049 0.000 1.143 346 D CA 0.125 54.089 54.000 -0.059 0.000 1.010 346 D CB 0.191 40.963 40.800 -0.048 0.000 1.068 346 D HN 0.422 nan 8.370 nan 0.000 0.511 347 R N 1.393 121.964 120.500 0.118 0.000 2.073 347 R HA -0.129 4.210 4.340 -0.000 0.000 0.234 347 R C 2.200 178.621 176.300 0.203 0.000 1.134 347 R CA 1.518 57.776 56.100 0.263 0.000 0.952 347 R CB -0.198 30.303 30.300 0.336 0.000 0.850 347 R HN 0.358 nan 8.270 nan 0.000 0.433 348 A N 1.349 124.262 122.820 0.155 0.000 1.940 348 A HA -0.224 4.096 4.320 -0.000 0.000 0.221 348 A C 1.828 179.449 177.584 0.063 0.000 1.190 348 A CA 1.687 53.788 52.037 0.108 0.000 0.647 348 A CB -0.386 18.666 19.000 0.087 0.000 0.821 348 A HN 0.275 nan 8.150 nan 0.000 0.457 349 R N -1.356 119.162 120.500 0.029 0.000 2.427 349 R HA 0.175 4.515 4.340 -0.000 0.000 0.262 349 R C -0.468 175.840 176.300 0.013 0.000 0.943 349 R CA 0.042 56.135 56.100 -0.013 0.000 1.081 349 R CB 0.155 30.396 30.300 -0.098 0.000 1.166 349 R HN 0.464 nan 8.270 nan 0.000 0.534 350 K N 1.656 122.100 120.400 0.074 0.000 3.257 350 K HA -0.229 4.091 4.320 -0.000 0.000 0.270 350 K C -0.683 175.980 176.600 0.105 0.000 0.984 350 K CA 0.943 57.296 56.287 0.110 0.000 0.739 350 K CB -1.166 31.377 32.500 0.071 0.000 1.351 350 K HN 0.486 nan 8.250 nan 0.000 0.463 351 R N -0.814 119.744 120.500 0.096 0.000 2.692 351 R HA 0.666 5.005 4.340 -0.000 0.000 0.269 351 R C -1.197 175.143 176.300 0.066 0.000 1.030 351 R CA -1.133 55.029 56.100 0.102 0.000 0.882 351 R CB 1.276 31.606 30.300 0.051 0.000 1.250 351 R HN 0.060 nan 8.270 nan 0.000 0.465 352 I N 1.100 121.705 120.570 0.058 0.000 2.447 352 I HA 0.447 4.616 4.170 -0.000 0.000 0.287 352 I C 0.019 175.991 176.117 -0.241 0.000 1.023 352 I CA -0.800 60.342 61.300 -0.262 0.000 1.083 352 I CB 2.363 40.129 38.000 -0.390 0.000 1.245 352 I HN 0.867 nan 8.210 nan 0.000 0.434 353 G N 5.346 113.798 108.800 -0.579 0.000 2.371 353 G HA2 0.699 4.658 3.960 -0.000 0.000 0.326 353 G HA3 0.699 4.658 3.960 -0.000 0.000 0.326 353 G C -1.270 173.080 174.900 -0.917 0.000 1.127 353 G CA -0.220 44.328 45.100 -0.920 0.000 0.885 353 G HN 0.326 nan 8.290 nan 0.000 0.477 354 F N 0.742 120.364 119.950 -0.546 0.000 2.507 354 F HA 0.703 5.230 4.527 -0.000 0.000 0.325 354 F C 0.460 176.074 175.800 -0.310 0.000 1.116 354 F CA -0.487 57.279 58.000 -0.389 0.000 0.930 354 F CB 2.658 41.448 39.000 -0.350 0.000 1.146 354 F HN 0.695 nan 8.300 nan 0.000 0.447 355 A N 1.816 124.634 122.820 -0.003 0.000 2.515 355 A HA 0.781 5.101 4.320 -0.000 0.000 0.296 355 A C -1.254 176.538 177.584 0.347 0.000 1.094 355 A CA -0.862 51.239 52.037 0.106 0.000 0.718 355 A CB 1.169 20.096 19.000 -0.122 0.000 1.307 355 A HN 0.451 nan 8.150 nan 0.000 0.408 356 V N 1.648 121.756 119.914 0.323 0.000 2.599 356 V HA 0.200 4.320 4.120 -0.000 0.000 0.300 356 V C 1.189 177.407 176.094 0.207 0.000 1.034 356 V CA 0.435 62.857 62.300 0.204 0.000 1.115 356 V CB 1.063 32.926 31.823 0.066 0.000 0.934 356 V HN 0.908 nan 8.190 nan 0.000 0.485 357 S N 4.149 119.916 115.700 0.112 0.000 2.528 357 S HA 0.368 4.837 4.470 -0.000 0.000 0.277 357 S C 1.322 176.069 174.600 0.245 0.000 1.297 357 S CA -0.174 58.137 58.200 0.185 0.000 1.052 357 S CB 1.207 64.489 63.200 0.137 0.000 0.917 357 S HN 1.014 nan 8.310 nan 0.000 0.492 358 A N 3.397 126.305 122.820 0.147 0.000 2.178 358 A HA -0.053 4.267 4.320 -0.000 0.000 0.218 358 A C 1.883 179.532 177.584 0.108 0.000 1.157 358 A CA 1.355 53.456 52.037 0.106 0.000 0.689 358 A CB -1.141 17.866 19.000 0.012 0.000 0.787 358 A HN 1.285 nan 8.150 nan 0.000 0.465 359 c N -1.289 117.380 118.600 0.116 0.000 3.243 359 c HA 0.352 4.922 4.570 -0.000 0.000 0.286 359 c C 0.861 174.992 174.090 0.069 0.000 1.373 359 c CA -0.160 56.207 56.329 0.064 0.000 1.749 359 c CB -1.634 40.899 42.510 0.038 0.000 2.313 359 c HN 0.679 nan 8.230 nan 0.000 0.644 360 H N 0.852 119.951 119.070 0.048 0.000 2.707 360 H HA 0.436 4.991 4.556 -0.000 0.000 0.359 360 H C -0.698 174.673 175.328 0.072 0.000 1.113 360 H CA -0.023 56.037 56.048 0.019 0.000 1.422 360 H CB 0.842 30.567 29.762 -0.061 0.000 1.443 360 H HN 0.155 nan 8.280 nan 0.000 0.591 361 V N 6.754 126.596 119.914 -0.119 0.000 2.415 361 V HA 0.108 4.228 4.120 -0.000 0.000 0.267 361 V C 0.759 176.717 176.094 -0.226 0.000 1.042 361 V CA 0.067 62.240 62.300 -0.211 0.000 1.000 361 V CB -0.768 30.987 31.823 -0.112 0.000 1.015 361 V HN 0.957 nan 8.190 nan 0.000 0.478 362 H N 3.288 122.166 119.070 -0.321 0.000 3.220 362 H HA 0.837 5.393 4.556 -0.000 0.000 0.299 362 H C -0.810 174.454 175.328 -0.107 0.000 1.604 362 H CA -0.400 55.512 56.048 -0.226 0.000 1.260 362 H CB 2.294 31.894 29.762 -0.270 0.000 1.846 362 H HN 0.604 nan 8.280 nan 0.000 0.632 363 D N -0.569 119.915 120.400 0.140 0.000 4.512 363 D HA 0.148 4.788 4.640 -0.000 0.000 0.329 363 D C -0.870 175.510 176.300 0.133 0.000 1.683 363 D CA -0.572 53.496 54.000 0.114 0.000 0.980 363 D CB 0.725 41.623 40.800 0.162 0.000 1.476 363 D HN 0.501 nan 8.370 nan 0.000 0.668 364 E N -1.353 118.884 120.200 0.061 0.000 3.575 364 E HA 0.398 4.748 4.350 -0.000 0.000 0.201 364 E C -0.823 175.660 176.600 -0.195 0.000 0.999 364 E CA -0.235 56.135 56.400 -0.050 0.000 1.315 364 E CB 0.329 29.963 29.700 -0.110 0.000 1.146 364 E HN 0.287 nan 8.360 nan 0.000 0.453 365 F N 0.330 120.312 119.950 0.053 0.000 2.539 365 F HA 0.395 4.922 4.527 -0.000 0.000 0.277 365 F C 0.879 176.698 175.800 0.032 0.000 0.925 365 F CA 0.068 58.099 58.000 0.051 0.000 1.193 365 F CB 0.677 39.724 39.000 0.077 0.000 1.128 365 F HN -0.225 nan 8.300 nan 0.000 0.740 366 R N -0.688 119.944 120.500 0.219 0.000 2.808 366 R HA 0.671 5.011 4.340 -0.000 0.000 0.272 366 R C -1.375 174.971 176.300 0.077 0.000 0.995 366 R CA -0.719 55.448 56.100 0.111 0.000 0.917 366 R CB 2.060 32.407 30.300 0.078 0.000 1.217 366 R HN -0.092 nan 8.270 nan 0.000 0.471 367 T N 0.173 114.764 114.554 0.063 0.000 2.894 367 T HA 0.484 4.834 4.350 -0.000 0.000 0.309 367 T C -0.847 173.873 174.700 0.032 0.000 1.208 367 T CA -0.751 61.402 62.100 0.089 0.000 1.016 367 T CB 1.991 70.898 68.868 0.066 0.000 1.192 367 T HN 0.703 nan 8.240 nan 0.000 0.491 368 A N 1.277 124.082 122.820 -0.026 0.000 2.462 368 A HA 0.760 5.080 4.320 -0.000 0.000 0.243 368 A C 0.244 177.761 177.584 -0.112 0.000 1.076 368 A CA -0.155 51.756 52.037 -0.210 0.000 0.773 368 A CB -0.199 18.409 19.000 -0.655 0.000 1.010 368 A HN 1.254 nan 8.150 nan 0.000 0.493 369 A N 1.289 124.147 122.820 0.062 0.000 2.539 369 A HA 0.684 5.004 4.320 -0.000 0.000 0.296 369 A C -1.176 176.502 177.584 0.157 0.000 1.073 369 A CA -0.453 51.641 52.037 0.095 0.000 0.700 369 A CB 1.601 20.621 19.000 0.033 0.000 1.296 369 A HN 1.349 nan 8.150 nan 0.000 0.405 370 V N 1.644 121.615 119.914 0.095 0.000 2.447 370 V HA 0.511 4.631 4.120 -0.000 0.000 0.292 370 V C -0.584 175.445 176.094 -0.108 0.000 1.021 370 V CA -0.308 61.990 62.300 -0.003 0.000 0.850 370 V CB 1.137 33.008 31.823 0.081 0.000 1.005 370 V HN 0.941 nan 8.190 nan 0.000 0.426 371 E N 2.449 122.499 120.200 -0.249 0.000 2.293 371 E HA 0.840 5.190 4.350 -0.000 0.000 0.270 371 E C -0.015 176.232 176.600 -0.588 0.000 0.879 371 E CA -0.617 55.613 56.400 -0.284 0.000 0.756 371 E CB 2.900 32.585 29.700 -0.025 0.000 1.208 371 E HN 0.866 nan 8.360 nan 0.000 0.428 372 G N 1.771 110.014 108.800 -0.928 0.000 2.548 372 G HA2 0.495 4.455 3.960 -0.000 0.000 0.301 372 G HA3 0.495 4.455 3.960 -0.000 0.000 0.301 372 G C -2.891 171.692 174.900 -0.528 0.000 1.349 372 G CA -0.833 43.610 45.100 -1.095 0.000 0.792 372 G HN 0.370 nan 8.290 nan 0.000 0.481 373 P HA 0.676 nan 4.420 nan 0.000 0.284 373 P C -1.375 175.703 177.300 -0.370 0.000 1.258 373 P CA -0.405 62.601 63.100 -0.157 0.000 0.824 373 P CB 1.275 33.074 31.700 0.165 0.000 1.038 374 F N -0.527 119.435 119.950 0.020 0.000 2.523 374 F HA 0.381 4.908 4.527 -0.001 0.000 0.329 374 F C 0.322 176.161 175.800 0.066 0.000 1.061 374 F CA -0.997 57.040 58.000 0.062 0.000 0.967 374 F CB 1.639 40.722 39.000 0.139 0.000 1.218 374 F HN -0.061 nan 8.300 nan 0.000 0.480 375 V N 1.490 121.547 119.914 0.238 0.000 2.350 375 V HA 0.415 4.535 4.120 -0.000 0.000 0.276 375 V C -0.530 175.627 176.094 0.105 0.000 1.028 375 V CA -0.314 62.068 62.300 0.137 0.000 0.860 375 V CB 0.954 32.831 31.823 0.090 0.000 0.990 375 V HN 0.785 nan 8.190 nan 0.000 0.453 376 T N 6.572 121.174 114.554 0.080 0.000 2.890 376 T HA 0.580 4.930 4.350 -0.000 0.000 0.295 376 T C -0.349 174.368 174.700 0.028 0.000 0.993 376 T CA -0.422 61.693 62.100 0.024 0.000 0.979 376 T CB 1.101 69.970 68.868 0.003 0.000 0.967 376 T HN 0.300 nan 8.240 nan 0.000 0.441 377 L N 2.373 123.603 121.223 0.012 0.000 2.399 377 L HA 0.435 4.775 4.340 -0.000 0.000 0.265 377 L C 0.127 177.004 176.870 0.012 0.000 1.089 377 L CA -0.725 54.124 54.840 0.016 0.000 0.802 377 L CB 0.371 42.436 42.059 0.011 0.000 1.180 377 L HN 0.666 nan 8.230 nan 0.000 0.454 378 D N 1.463 121.873 120.400 0.017 0.000 2.723 378 D HA -0.210 4.430 4.640 -0.000 0.000 0.236 378 D C 0.909 177.223 176.300 0.023 0.000 1.138 378 D CA 0.785 54.795 54.000 0.017 0.000 0.676 378 D CB -0.651 40.154 40.800 0.008 0.000 1.069 378 D HN 0.599 nan 8.370 nan 0.000 0.430 379 M N -0.655 118.964 119.600 0.032 0.000 2.394 379 M HA -0.110 4.370 4.480 -0.000 0.000 0.264 379 M C 1.913 178.243 176.300 0.049 0.000 1.073 379 M CA 1.137 56.461 55.300 0.040 0.000 1.111 379 M CB 0.053 32.682 32.600 0.048 0.000 1.401 379 M HN -0.067 nan 8.290 nan 0.000 0.448 380 E N 0.916 121.143 120.200 0.044 0.000 2.047 380 E HA -0.157 4.193 4.350 -0.000 0.000 0.191 380 E C 1.420 178.048 176.600 0.048 0.000 0.987 380 E CA 1.117 57.545 56.400 0.046 0.000 0.799 380 E CB -0.164 29.558 29.700 0.037 0.000 0.752 380 E HN 0.315 nan 8.360 nan 0.000 0.449 381 D N -0.552 119.871 120.400 0.038 0.000 2.271 381 D HA -0.166 4.474 4.640 -0.000 0.000 0.207 381 D C 1.472 177.801 176.300 0.047 0.000 0.983 381 D CA 0.706 54.727 54.000 0.035 0.000 0.878 381 D CB -0.339 40.472 40.800 0.017 0.000 0.920 381 D HN 0.270 nan 8.370 nan 0.000 0.479 382 c N 0.491 119.125 118.600 0.057 0.000 2.446 382 c HA 0.146 4.715 4.570 -0.000 0.000 0.279 382 c C 1.678 175.836 174.090 0.113 0.000 1.366 382 c CA 0.038 56.413 56.329 0.077 0.000 1.763 382 c CB -1.080 41.483 42.510 0.088 0.000 1.929 382 c HN 0.257 nan 8.230 nan 0.000 0.509 383 G N -1.074 107.795 108.800 0.115 0.000 2.432 383 G HA2 0.398 4.358 3.960 -0.000 0.000 0.257 383 G HA3 0.398 4.358 3.960 -0.000 0.000 0.257 383 G C -1.075 173.942 174.900 0.195 0.000 1.238 383 G CA 0.073 45.263 45.100 0.149 0.000 0.838 383 G HN 0.373 nan 8.290 nan 0.000 0.547 384 Y N 1.866 122.219 120.300 0.088 0.000 2.330 384 Y HA 0.434 4.984 4.550 -0.000 0.000 0.336 384 Y C 0.229 176.172 175.900 0.072 0.000 1.036 384 Y CA -1.439 56.716 58.100 0.091 0.000 1.125 384 Y CB 0.957 39.509 38.460 0.153 0.000 1.194 384 Y HN 0.660 nan 8.280 nan 0.000 0.469 385 N N 0.000 118.360 118.700 -0.566 0.000 1.763 385 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 385 N CA 0.000 52.736 53.050 -0.522 0.000 0.885 385 N CB 0.000 38.358 38.487 -0.214 0.000 1.341 385 N HN 0.000 nan 8.380 nan 0.000 0.667