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 1kv3_1_C DATA FIRST_RESID 15 DATA SEQUENCE ETNGRDHHTA DLCREKLVVR RGQPFWLTLX XXXXXXXXXX XSLTFSVVTG DATA SEQUENCE PAPSQEAGTK ARFPLRDAVE EGDWTATVVD QQDCTLSLQL TTPANAPIGL DATA SEQUENCE YRLSLEASXX XXXXXXXXGH FILLFNAWCP ADAVYLDSEE ERQEYVLTQQ DATA SEQUENCE GFIYQGSAKF IKNIPWNFGQ FQDGILDICL ILLDVNPKFL KNAGRDCSRR DATA SEQUENCE SSPVYVGRVG SGMVNCNDDQ GVLLGRWDNN YGDGVSPMSW IGSVDILRRW DATA SEQUENCE KNHGCQRVKY GQCWVFAAVA CTVLRCLGIP TRVVTNYNSA HDQNSNLLIE DATA SEQUENCE YFRNEFGEIQ GDKSEMIWNF HCWVESWMTR PDLQPGYEGW QALDPTPQEK DATA SEQUENCE SEGTYCCGPV PVRAIKEGDL STKYDAPFVF AEVNADVVDW IQQDDGSVHK DATA SEQUENCE SINRSLIVGL KISTKSVGRD EREDITHTYK YPEGSSEERE AFTRANHLNK DATA SEQUENCE LAEKEETGMA MRIRVGQSMN MGSDFDVFAH ITNNTAEEYV CRLLLCARTV DATA SEQUENCE SYNGILGPEC GTKYLLNLTL EPFSEKSVPL CILYEKYRDC LTESNLIKVR DATA SEQUENCE ALLVEPVINS YLLAERDLYL ENPEIKIRIL GEPKQKRKLV AEVSLQNPLP DATA SEQUENCE VALEGCTFTV EGAGLTEEQK TVEIPDPVEA GEEVKVRMDL VPLHMGLHKL DATA SEQUENCE VVNFESDKLK AVKGFRNVII GPA 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 15 E HA 0.000 nan 4.350 nan 0.000 0.291 15 E C 0.000 176.606 176.600 0.010 0.000 1.382 15 E CA 0.000 56.411 56.400 0.019 0.000 0.976 15 E CB 0.000 29.706 29.700 0.010 0.000 0.812 16 T N -0.942 113.616 114.554 0.007 0.000 3.155 16 T HA 0.058 4.408 4.350 -0.000 0.000 0.264 16 T C 0.894 175.626 174.700 0.053 0.000 1.160 16 T CA 1.133 63.226 62.100 -0.011 0.000 1.075 16 T CB -0.512 68.306 68.868 -0.083 0.000 0.921 16 T HN 0.173 nan 8.240 nan 0.000 0.533 17 N N 1.267 120.023 118.700 0.094 0.000 2.290 17 N HA 0.074 4.814 4.740 -0.000 0.000 0.179 17 N C 2.205 177.752 175.510 0.062 0.000 1.016 17 N CA 1.161 54.302 53.050 0.152 0.000 0.871 17 N CB -0.819 37.698 38.487 0.050 0.000 0.987 17 N HN 0.591 nan 8.380 nan 0.000 0.431 18 G N 1.926 110.716 108.800 -0.017 0.000 2.514 18 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.217 18 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.217 18 G C 1.515 176.366 174.900 -0.082 0.000 1.198 18 G CA 0.836 45.902 45.100 -0.057 0.000 0.780 18 G HN 0.304 nan 8.290 nan 0.000 0.565 19 R N 0.418 120.878 120.500 -0.067 0.000 2.139 19 R HA -0.124 4.216 4.340 -0.000 0.000 0.243 19 R C 1.806 177.982 176.300 -0.207 0.000 1.145 19 R CA 1.995 58.034 56.100 -0.101 0.000 0.976 19 R CB -0.335 29.931 30.300 -0.056 0.000 0.866 19 R HN 0.269 nan 8.270 nan 0.000 0.449 20 D N -1.011 119.304 120.400 -0.142 0.000 2.183 20 D HA -0.040 4.600 4.640 -0.000 0.000 0.205 20 D C 1.228 177.201 176.300 -0.545 0.000 0.962 20 D CA 0.988 54.854 54.000 -0.224 0.000 0.849 20 D CB -0.013 40.819 40.800 0.054 0.000 0.978 20 D HN 0.404 nan 8.370 nan 0.000 0.488 21 H N -0.738 118.063 119.070 -0.448 0.000 2.551 21 H HA 0.107 4.663 4.556 -0.000 0.000 0.271 21 H C -0.230 174.779 175.328 -0.531 0.000 0.984 21 H CA 0.148 55.930 56.048 -0.442 0.000 1.164 21 H CB 0.133 29.760 29.762 -0.225 0.000 1.437 21 H HN 0.308 nan 8.280 nan 0.000 0.550 22 H N 0.317 119.181 119.070 -0.344 0.000 2.748 22 H HA -0.141 4.415 4.556 -0.000 0.000 0.322 22 H C 0.356 175.519 175.328 -0.275 0.000 1.208 22 H CA 0.868 56.677 56.048 -0.399 0.000 1.151 22 H CB -1.832 27.391 29.762 -0.899 0.000 1.505 22 H HN 0.441 nan 8.280 nan 0.000 0.429 23 T N -4.422 110.036 114.554 -0.159 0.000 3.403 23 T HA 0.598 4.948 4.350 -0.000 0.000 0.308 23 T C 1.747 176.331 174.700 -0.193 0.000 0.952 23 T CA 0.096 62.067 62.100 -0.215 0.000 0.970 23 T CB 0.428 69.221 68.868 -0.124 0.000 1.189 23 T HN 0.509 nan 8.240 nan 0.000 0.528 24 A N 2.656 125.393 122.820 -0.139 0.000 1.903 24 A HA -0.189 4.131 4.320 -0.000 0.000 0.219 24 A C 2.012 179.570 177.584 -0.042 0.000 1.191 24 A CA 2.197 54.194 52.037 -0.068 0.000 0.638 24 A CB -0.838 18.148 19.000 -0.023 0.000 0.823 24 A HN 0.458 nan 8.150 nan 0.000 0.451 25 D N -0.953 119.406 120.400 -0.069 0.000 2.264 25 D HA -0.047 4.593 4.640 -0.000 0.000 0.208 25 D C 1.573 177.877 176.300 0.007 0.000 0.966 25 D CA 0.650 54.671 54.000 0.035 0.000 0.864 25 D CB -0.119 40.717 40.800 0.060 0.000 0.933 25 D HN 0.297 nan 8.370 nan 0.000 0.499 26 L N -0.062 121.093 121.223 -0.114 0.000 2.249 26 L HA 0.045 4.385 4.340 -0.000 0.000 0.207 26 L C 0.817 177.679 176.870 -0.013 0.000 1.090 26 L CA 0.455 55.263 54.840 -0.054 0.000 0.802 26 L CB -0.080 41.906 42.059 -0.122 0.000 0.947 26 L HN -0.035 nan 8.230 nan 0.000 0.453 27 C N 1.947 121.228 119.300 -0.031 0.000 2.645 27 C HA 0.301 4.761 4.460 -0.000 0.000 0.451 27 C C 0.690 175.687 174.990 0.011 0.000 1.018 27 C CA -0.449 58.562 59.018 -0.012 0.000 1.180 27 C CB -2.215 25.507 27.740 -0.030 0.000 1.563 27 C HN 0.225 nan 8.230 nan 0.000 0.551 28 R N 1.322 121.837 120.500 0.026 0.000 2.518 28 R HA 0.255 4.595 4.340 -0.000 0.000 0.296 28 R C -0.009 176.312 176.300 0.035 0.000 1.080 28 R CA -0.352 55.767 56.100 0.031 0.000 0.922 28 R CB 0.788 31.110 30.300 0.038 0.000 1.184 28 R HN 0.627 nan 8.270 nan 0.000 0.445 29 E N 1.512 121.733 120.200 0.035 0.000 2.868 29 E HA -0.255 4.095 4.350 -0.000 0.000 0.278 29 E C -0.803 175.826 176.600 0.049 0.000 1.009 29 E CA 1.074 57.499 56.400 0.040 0.000 0.856 29 E CB -0.629 29.092 29.700 0.035 0.000 1.428 29 E HN 0.550 nan 8.360 nan 0.000 0.423 30 K N 0.142 120.575 120.400 0.055 0.000 2.806 30 K HA 0.221 4.541 4.320 -0.000 0.000 0.293 30 K C -1.752 174.886 176.600 0.064 0.000 1.135 30 K CA -0.684 55.645 56.287 0.071 0.000 0.960 30 K CB 0.716 33.252 32.500 0.059 0.000 1.374 30 K HN 0.017 nan 8.250 nan 0.000 0.400 31 L N 4.118 125.394 121.223 0.088 0.000 2.371 31 L HA 0.662 5.002 4.340 -0.000 0.000 0.272 31 L C -1.088 175.801 176.870 0.031 0.000 1.124 31 L CA 0.088 54.958 54.840 0.049 0.000 0.816 31 L CB 1.604 43.709 42.059 0.075 0.000 1.129 31 L HN 0.378 nan 8.230 nan 0.000 0.448 32 V N 6.979 126.860 119.914 -0.054 0.000 2.612 32 V HA 0.751 4.871 4.120 -0.000 0.000 0.301 32 V C -1.032 174.951 176.094 -0.184 0.000 1.059 32 V CA 0.153 62.419 62.300 -0.056 0.000 0.886 32 V CB 1.861 33.683 31.823 -0.001 0.000 1.007 32 V HN 0.916 nan 8.190 nan 0.000 0.426 33 V N 4.222 123.980 119.914 -0.259 0.000 3.156 33 V HA 0.777 4.897 4.120 -0.000 0.000 0.311 33 V C -0.608 175.433 176.094 -0.088 0.000 1.208 33 V CA -1.268 60.785 62.300 -0.413 0.000 1.063 33 V CB 2.298 33.483 31.823 -1.064 0.000 1.098 33 V HN 0.937 nan 8.190 nan 0.000 0.452 34 R N 0.951 121.559 120.500 0.180 0.000 2.589 34 R HA 0.569 4.909 4.340 -0.000 0.000 0.293 34 R C -0.209 176.160 176.300 0.114 0.000 0.963 34 R CA -0.868 55.347 56.100 0.191 0.000 0.905 34 R CB 2.008 32.468 30.300 0.268 0.000 1.144 34 R HN 0.964 nan 8.270 nan 0.000 0.459 35 R N 0.272 120.791 120.500 0.033 0.000 2.827 35 R HA 0.176 4.516 4.340 -0.000 0.000 0.269 35 R C 0.551 176.826 176.300 -0.042 0.000 1.048 35 R CA 0.523 56.584 56.100 -0.066 0.000 1.173 35 R CB 0.033 30.273 30.300 -0.101 0.000 1.070 35 R HN 0.796 nan 8.270 nan 0.000 0.498 36 G N -0.343 108.378 108.800 -0.133 0.000 2.175 36 G HA2 -0.377 3.583 3.960 -0.000 0.000 0.265 36 G HA3 -0.377 3.583 3.960 -0.000 0.000 0.265 36 G C -0.067 174.778 174.900 -0.092 0.000 0.979 36 G CA 0.897 45.928 45.100 -0.115 0.000 0.663 36 G HN 0.849 nan 8.290 nan 0.000 0.533 37 Q N 0.341 120.103 119.800 -0.064 0.000 2.331 37 Q HA 0.574 4.914 4.340 -0.000 0.000 0.272 37 Q C -2.806 173.213 176.000 0.032 0.000 1.062 37 Q CA -2.341 53.425 55.803 -0.062 0.000 0.806 37 Q CB 2.978 31.624 28.738 -0.153 0.000 1.312 37 Q HN 0.169 nan 8.270 nan 0.000 0.431 38 P HA 0.107 nan 4.420 nan 0.000 0.271 38 P C -1.195 176.154 177.300 0.080 0.000 1.216 38 P CA 0.147 63.192 63.100 -0.091 0.000 0.771 38 P CB 0.049 31.603 31.700 -0.243 0.000 0.864 39 F N 0.337 120.170 119.950 -0.195 0.000 2.540 39 F HA 0.596 5.123 4.527 -0.000 0.000 0.317 39 F C -0.905 174.750 175.800 -0.242 0.000 1.104 39 F CA -1.868 56.044 58.000 -0.148 0.000 0.913 39 F CB 0.595 39.435 39.000 -0.267 0.000 1.170 39 F HN 0.185 nan 8.300 nan 0.000 0.450 40 W N 4.490 125.811 121.300 0.034 0.000 2.181 40 W HA 0.466 5.126 4.660 -0.000 0.000 0.335 40 W C -0.737 175.743 176.519 -0.066 0.000 1.310 40 W CA -0.180 57.134 57.345 -0.052 0.000 1.226 40 W CB 0.728 30.189 29.460 0.003 0.000 1.155 40 W HN 0.529 nan 8.180 nan 0.000 0.565 41 L N 3.463 124.751 121.223 0.108 0.000 2.470 41 L HA 0.514 4.854 4.340 -0.000 0.000 0.268 41 L C -0.649 176.285 176.870 0.107 0.000 0.964 41 L CA -0.545 54.328 54.840 0.055 0.000 0.839 41 L CB 1.883 43.864 42.059 -0.130 0.000 1.276 41 L HN 0.340 nan 8.230 nan 0.000 0.403 42 T N 5.475 120.099 114.554 0.117 0.000 2.841 42 T HA 0.788 5.138 4.350 -0.000 0.000 0.283 42 T C -0.585 174.168 174.700 0.087 0.000 1.000 42 T CA -0.332 61.830 62.100 0.103 0.000 0.977 42 T CB 0.635 69.556 68.868 0.090 0.000 0.979 42 T HN 0.542 nan 8.240 nan 0.000 0.446 57 L N 0.506 121.651 121.223 -0.130 0.000 2.330 57 L HA 1.016 5.356 4.340 -0.000 0.000 0.271 57 L C -0.165 176.538 176.870 -0.277 0.000 1.013 57 L CA -0.617 54.096 54.840 -0.211 0.000 0.816 57 L CB 0.426 42.324 42.059 -0.269 0.000 1.287 57 L HN 1.011 nan 8.230 nan 0.000 0.435 58 T N -1.367 112.993 114.554 -0.324 0.000 2.863 58 T HA 0.704 5.054 4.350 -0.000 0.000 0.285 58 T C -0.445 173.956 174.700 -0.499 0.000 1.009 58 T CA -0.389 61.512 62.100 -0.331 0.000 0.989 58 T CB 1.313 70.080 68.868 -0.168 0.000 1.004 58 T HN 0.357 nan 8.240 nan 0.000 0.455 59 F N 1.790 121.447 119.950 -0.490 0.000 2.377 59 F HA 0.626 5.153 4.527 -0.000 0.000 0.328 59 F C 1.094 176.554 175.800 -0.567 0.000 1.094 59 F CA -0.313 57.298 58.000 -0.649 0.000 1.093 59 F CB 1.787 40.093 39.000 -1.157 0.000 1.214 59 F HN 0.884 nan 8.300 nan 0.000 0.518 60 S N 1.031 116.689 115.700 -0.071 0.000 2.548 60 S HA 0.793 5.263 4.470 -0.000 0.000 0.276 60 S C -1.225 173.423 174.600 0.079 0.000 1.129 60 S CA -0.853 57.346 58.200 -0.001 0.000 0.931 60 S CB 1.245 64.433 63.200 -0.020 0.000 1.068 60 S HN 0.719 nan 8.310 nan 0.000 0.480 61 V N -0.119 119.821 119.914 0.043 0.000 2.735 61 V HA 0.983 5.103 4.120 -0.000 0.000 0.310 61 V C -0.800 175.324 176.094 0.051 0.000 1.061 61 V CA -0.758 61.572 62.300 0.050 0.000 0.913 61 V CB 1.344 33.104 31.823 -0.105 0.000 1.005 61 V HN 0.848 nan 8.190 nan 0.000 0.428 62 V N 2.887 122.879 119.914 0.130 0.000 2.760 62 V HA 0.583 4.703 4.120 -0.000 0.000 0.309 62 V C 0.562 176.649 176.094 -0.012 0.000 1.077 62 V CA 0.731 63.070 62.300 0.065 0.000 0.910 62 V CB 2.293 34.130 31.823 0.023 0.000 1.008 62 V HN 1.188 nan 8.190 nan 0.000 0.424 63 T N 2.708 117.162 114.554 -0.166 0.000 3.182 63 T HA 0.317 4.667 4.350 -0.000 0.000 0.244 63 T C 0.973 175.559 174.700 -0.189 0.000 0.981 63 T CA 0.979 62.826 62.100 -0.422 0.000 1.182 63 T CB 0.020 68.261 68.868 -1.043 0.000 1.043 63 T HN 0.857 nan 8.240 nan 0.000 0.424 64 G N 1.658 110.401 108.800 -0.095 0.000 2.525 64 G HA2 0.399 4.359 3.960 -0.000 0.000 0.276 64 G HA3 0.399 4.359 3.960 -0.000 0.000 0.276 64 G C -1.578 173.334 174.900 0.019 0.000 1.388 64 G CA -0.246 44.856 45.100 0.004 0.000 1.050 64 G HN 0.398 nan 8.290 nan 0.000 0.520 65 P HA 0.309 nan 4.420 nan 0.000 0.268 65 P C -0.250 177.037 177.300 -0.023 0.000 1.329 65 P CA 0.532 63.644 63.100 0.021 0.000 0.899 65 P CB 1.002 32.731 31.700 0.048 0.000 1.378 66 A N 0.993 123.794 122.820 -0.033 0.000 3.455 66 A HA 0.425 4.745 4.320 -0.000 0.000 0.225 66 A C -2.560 175.008 177.584 -0.026 0.000 1.052 66 A CA -0.842 51.172 52.037 -0.038 0.000 1.005 66 A CB -0.057 18.904 19.000 -0.065 0.000 1.318 66 A HN -0.008 nan 8.150 nan 0.000 0.639 67 P HA 0.321 nan 4.420 nan 0.000 0.269 67 P C 0.026 177.325 177.300 -0.002 0.000 1.211 67 P CA 0.556 63.653 63.100 -0.006 0.000 0.781 67 P CB 1.159 32.857 31.700 -0.003 0.000 0.877 68 S N -0.190 115.515 115.700 0.009 0.000 2.543 68 S HA 0.131 4.601 4.470 -0.000 0.000 0.274 68 S C 0.612 175.225 174.600 0.023 0.000 1.149 68 S CA -0.647 57.559 58.200 0.011 0.000 0.866 68 S CB 1.521 64.725 63.200 0.006 0.000 1.111 68 S HN 0.361 nan 8.310 nan 0.000 0.457 69 Q N 1.800 121.612 119.800 0.021 0.000 1.990 69 Q HA -0.089 4.251 4.340 -0.000 0.000 0.200 69 Q C 1.979 178.005 176.000 0.044 0.000 0.980 69 Q CA 2.158 57.979 55.803 0.030 0.000 0.832 69 Q CB -0.389 28.364 28.738 0.026 0.000 0.897 69 Q HN 0.951 nan 8.270 nan 0.000 0.427 70 E N -0.198 120.023 120.200 0.035 0.000 2.268 70 E HA -0.087 4.263 4.350 -0.000 0.000 0.195 70 E C 1.327 177.952 176.600 0.042 0.000 0.995 70 E CA 1.081 57.504 56.400 0.038 0.000 0.836 70 E CB -0.091 29.625 29.700 0.027 0.000 0.763 70 E HN 0.187 nan 8.360 nan 0.000 0.491 71 A N 0.908 123.750 122.820 0.038 0.000 2.235 71 A HA 0.310 4.630 4.320 -0.000 0.000 0.208 71 A C 1.938 179.561 177.584 0.066 0.000 1.172 71 A CA 0.951 53.010 52.037 0.036 0.000 0.786 71 A CB -0.653 18.358 19.000 0.018 0.000 0.804 71 A HN 0.509 nan 8.150 nan 0.000 0.479 72 G N -1.295 107.563 108.800 0.095 0.000 2.220 72 G HA2 -0.368 3.592 3.960 -0.000 0.000 0.269 72 G HA3 -0.368 3.592 3.960 -0.000 0.000 0.269 72 G C 1.139 176.163 174.900 0.207 0.000 0.977 72 G CA 1.429 46.627 45.100 0.164 0.000 0.634 72 G HN 1.007 nan 8.290 nan 0.000 0.539 73 T N -0.628 114.005 114.554 0.131 0.000 3.148 73 T HA 0.329 4.679 4.350 -0.000 0.000 0.253 73 T C 0.714 175.474 174.700 0.100 0.000 1.134 73 T CA 1.693 63.863 62.100 0.117 0.000 1.051 73 T CB -0.213 68.680 68.868 0.042 0.000 0.959 73 T HN 0.655 nan 8.240 nan 0.000 0.525 74 K N 0.227 120.670 120.400 0.071 0.000 2.525 74 K HA 0.651 4.971 4.320 -0.000 0.000 0.254 74 K C -2.039 174.512 176.600 -0.081 0.000 0.934 74 K CA -0.805 55.483 56.287 0.003 0.000 0.802 74 K CB 2.019 34.522 32.500 0.005 0.000 1.295 74 K HN 0.041 nan 8.250 nan 0.000 0.433 75 A N 3.031 125.728 122.820 -0.205 0.000 2.488 75 A HA 0.645 4.965 4.320 -0.000 0.000 0.298 75 A C -1.688 175.888 177.584 -0.014 0.000 1.044 75 A CA -0.754 51.128 52.037 -0.258 0.000 0.693 75 A CB 1.773 20.232 19.000 -0.902 0.000 1.272 75 A HN 0.670 nan 8.150 nan 0.000 0.402 76 R N 1.412 121.977 120.500 0.108 0.000 2.437 76 R HA 0.803 5.143 4.340 -0.000 0.000 0.310 76 R C -1.429 175.066 176.300 0.325 0.000 0.955 76 R CA -0.690 55.503 56.100 0.154 0.000 0.851 76 R CB 0.440 30.776 30.300 0.059 0.000 1.161 76 R HN 0.910 nan 8.270 nan 0.000 0.446 77 F N 2.793 122.774 119.950 0.052 0.000 2.628 77 F HA 0.684 5.211 4.527 -0.000 0.000 0.309 77 F C -2.778 173.100 175.800 0.131 0.000 1.108 77 F CA -2.497 55.559 58.000 0.094 0.000 0.971 77 F CB 1.900 40.975 39.000 0.126 0.000 1.279 77 F HN 0.374 nan 8.300 nan 0.000 0.441 78 P HA 0.124 nan 4.420 nan 0.000 0.277 78 P C -0.596 176.781 177.300 0.128 0.000 1.240 78 P CA -0.386 62.755 63.100 0.068 0.000 0.798 78 P CB 2.394 34.135 31.700 0.069 0.000 0.979 79 L N 2.684 123.949 121.223 0.069 0.000 2.480 79 L HA 0.099 4.439 4.340 -0.000 0.000 0.243 79 L C 1.214 178.133 176.870 0.082 0.000 1.315 79 L CA -0.446 54.470 54.840 0.127 0.000 1.231 79 L CB -0.371 41.732 42.059 0.073 0.000 1.444 79 L HN 0.332 nan 8.230 nan 0.000 0.409 80 R N 0.474 121.030 120.500 0.092 0.000 3.151 80 R HA -0.044 4.296 4.340 -0.000 0.000 0.283 80 R C 0.483 176.809 176.300 0.044 0.000 1.140 80 R CA 0.038 56.174 56.100 0.060 0.000 1.162 80 R CB 0.300 30.638 30.300 0.063 0.000 1.121 80 R HN 0.463 nan 8.270 nan 0.000 0.552 81 D N -1.850 118.567 120.400 0.028 0.000 2.449 81 D HA 0.179 4.819 4.640 -0.000 0.000 0.255 81 D C 0.714 177.020 176.300 0.010 0.000 1.121 81 D CA 0.375 54.386 54.000 0.018 0.000 0.830 81 D CB 0.702 41.512 40.800 0.016 0.000 1.280 81 D HN 0.434 nan 8.370 nan 0.000 0.522 82 A N 0.283 123.109 122.820 0.011 0.000 2.353 82 A HA 0.508 4.828 4.320 -0.000 0.000 0.218 82 A C 1.457 179.039 177.584 -0.003 0.000 1.760 82 A CA 1.512 53.551 52.037 0.004 0.000 0.638 82 A CB 0.006 19.010 19.000 0.007 0.000 1.280 82 A HN 0.117 nan 8.150 nan 0.000 0.511 83 V N -2.739 117.176 119.914 0.001 0.000 7.017 83 V HA 0.239 4.359 4.120 -0.000 0.000 0.054 83 V C -1.067 175.026 176.094 -0.001 0.000 0.798 83 V CA 1.228 63.523 62.300 -0.009 0.000 0.630 83 V CB -0.581 31.226 31.823 -0.027 0.000 1.141 83 V HN 0.924 nan 8.190 nan 0.000 0.724 84 E N 1.750 121.945 120.200 -0.008 0.000 2.302 84 E HA -0.167 4.183 4.350 -0.000 0.000 0.186 84 E C 0.667 177.261 176.600 -0.010 0.000 1.444 84 E CA 0.945 57.342 56.400 -0.005 0.000 0.671 84 E CB -0.917 28.788 29.700 0.008 0.000 1.122 84 E HN 0.612 nan 8.360 nan 0.000 0.366 85 E N 0.260 120.442 120.200 -0.030 0.000 1.907 85 E HA -0.277 4.073 4.350 -0.000 0.000 0.234 85 E C 1.836 178.411 176.600 -0.042 0.000 0.881 85 E CA 1.757 58.127 56.400 -0.050 0.000 0.985 85 E CB -0.930 28.731 29.700 -0.065 0.000 0.795 85 E HN 0.769 nan 8.360 nan 0.000 0.595 86 G N 1.020 109.794 108.800 -0.043 0.000 4.026 86 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.309 86 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.309 86 G C 0.552 175.422 174.900 -0.050 0.000 1.411 86 G CA 1.055 46.138 45.100 -0.028 0.000 1.037 86 G HN 0.429 nan 8.290 nan 0.000 0.687 87 D N -0.530 119.850 120.400 -0.034 0.000 3.443 87 D HA 0.463 5.103 4.640 -0.000 0.000 0.199 87 D C 0.159 176.363 176.300 -0.160 0.000 1.137 87 D CA -0.260 53.704 54.000 -0.060 0.000 1.258 87 D CB -0.312 40.557 40.800 0.117 0.000 1.001 87 D HN 0.369 nan 8.370 nan 0.000 0.320 88 W N 1.128 122.236 121.300 -0.321 0.000 2.238 88 W HA 0.425 5.085 4.660 -0.000 0.000 0.321 88 W C 0.545 176.669 176.519 -0.658 0.000 1.293 88 W CA -0.155 56.790 57.345 -0.667 0.000 1.204 88 W CB 0.218 29.008 29.460 -1.116 0.000 1.167 88 W HN 0.060 nan 8.180 nan 0.000 0.553 89 T N -0.720 113.618 114.554 -0.360 0.000 2.864 89 T HA 0.817 5.167 4.350 -0.000 0.000 0.299 89 T C -0.920 173.871 174.700 0.151 0.000 1.166 89 T CA -1.008 61.085 62.100 -0.011 0.000 1.007 89 T CB 1.971 70.817 68.868 -0.036 0.000 1.219 89 T HN 0.807 nan 8.240 nan 0.000 0.506 90 A N 1.786 124.773 122.820 0.277 0.000 3.409 90 A HA 0.598 4.918 4.320 -0.000 0.000 0.282 90 A C 0.175 177.803 177.584 0.072 0.000 1.064 90 A CA -0.699 51.426 52.037 0.147 0.000 0.889 90 A CB -0.066 19.054 19.000 0.200 0.000 1.251 90 A HN 0.852 nan 8.150 nan 0.000 0.538 91 T N 0.666 115.213 114.554 -0.010 0.000 2.919 91 T HA 0.338 4.688 4.350 -0.000 0.000 0.302 91 T C 0.374 175.054 174.700 -0.034 0.000 1.031 91 T CA 0.210 62.300 62.100 -0.018 0.000 1.127 91 T CB 1.497 70.334 68.868 -0.051 0.000 0.952 91 T HN 0.657 nan 8.240 nan 0.000 0.540 92 V N 3.910 123.825 119.914 0.001 0.000 2.644 92 V HA 0.376 4.496 4.120 -0.000 0.000 0.295 92 V C 0.367 176.467 176.094 0.011 0.000 1.053 92 V CA 0.056 62.364 62.300 0.014 0.000 0.987 92 V CB 1.455 33.301 31.823 0.037 0.000 1.006 92 V HN 0.788 nan 8.190 nan 0.000 0.472 93 V N 4.122 124.058 119.914 0.038 0.000 3.058 93 V HA 0.361 4.481 4.120 -0.000 0.000 0.233 93 V C 0.196 176.343 176.094 0.089 0.000 1.255 93 V CA 0.654 62.995 62.300 0.069 0.000 1.267 93 V CB 0.741 32.638 31.823 0.123 0.000 1.049 93 V HN 0.918 nan 8.190 nan 0.000 0.486 94 D N -1.176 119.285 120.400 0.101 0.000 2.552 94 D HA 0.499 5.139 4.640 -0.000 0.000 0.239 94 D C -0.724 175.612 176.300 0.061 0.000 1.139 94 D CA -0.342 53.705 54.000 0.078 0.000 0.914 94 D CB 2.157 43.008 40.800 0.085 0.000 1.461 94 D HN 0.044 nan 8.370 nan 0.000 0.462 95 Q N 1.153 120.979 119.800 0.043 0.000 3.007 95 Q HA 0.106 4.446 4.340 -0.000 0.000 0.321 95 Q C -0.741 175.274 176.000 0.025 0.000 0.784 95 Q CA -0.353 55.471 55.803 0.034 0.000 0.990 95 Q CB 1.210 29.965 28.738 0.028 0.000 1.493 95 Q HN 0.319 nan 8.270 nan 0.000 0.382 96 Q N 1.664 121.478 119.800 0.023 0.000 2.434 96 Q HA -0.159 4.181 4.340 -0.000 0.000 0.155 96 Q C 0.097 176.104 176.000 0.012 0.000 1.025 96 Q CA 0.961 56.773 55.803 0.015 0.000 0.960 96 Q CB -0.466 28.278 28.738 0.010 0.000 1.654 96 Q HN 0.563 nan 8.270 nan 0.000 0.414 97 D N -1.264 119.143 120.400 0.012 0.000 4.331 97 D HA -0.314 4.326 4.640 -0.000 0.000 0.234 97 D C 0.856 177.162 176.300 0.009 0.000 1.221 97 D CA 2.489 56.495 54.000 0.009 0.000 2.279 97 D CB -0.955 39.848 40.800 0.006 0.000 1.210 97 D HN 0.610 nan 8.370 nan 0.000 0.417 98 C N 0.796 120.102 119.300 0.010 0.000 2.634 98 C HA 0.219 4.679 4.460 -0.000 0.000 0.268 98 C C 1.459 176.457 174.990 0.014 0.000 1.322 98 C CA 0.496 59.520 59.018 0.010 0.000 1.737 98 C CB -0.590 27.155 27.740 0.008 0.000 1.976 98 C HN 0.628 nan 8.230 nan 0.000 0.547 99 T N -0.847 113.718 114.554 0.018 0.000 2.938 99 T HA 0.710 5.060 4.350 -0.000 0.000 0.285 99 T C -1.095 173.625 174.700 0.033 0.000 1.028 99 T CA -0.517 61.598 62.100 0.026 0.000 1.005 99 T CB 1.876 70.759 68.868 0.025 0.000 1.157 99 T HN 0.123 nan 8.240 nan 0.000 0.550 100 L N 0.688 121.938 121.223 0.046 0.000 2.596 100 L HA 0.609 4.949 4.340 -0.000 0.000 0.265 100 L C -1.092 175.827 176.870 0.082 0.000 0.962 100 L CA -0.245 54.630 54.840 0.058 0.000 0.891 100 L CB 2.059 44.151 42.059 0.055 0.000 1.248 100 L HN 0.790 nan 8.230 nan 0.000 0.410 101 S N 5.999 121.759 115.700 0.100 0.000 2.429 101 S HA 0.854 5.324 4.470 -0.000 0.000 0.302 101 S C -0.451 174.234 174.600 0.142 0.000 1.115 101 S CA -0.571 57.723 58.200 0.156 0.000 1.095 101 S CB 0.639 63.963 63.200 0.207 0.000 0.987 101 S HN 0.669 nan 8.310 nan 0.000 0.474 102 L N 1.369 122.650 121.223 0.097 0.000 2.277 102 L HA 0.716 5.056 4.340 -0.000 0.000 0.254 102 L C -1.105 175.647 176.870 -0.196 0.000 1.044 102 L CA -1.105 53.720 54.840 -0.024 0.000 0.842 102 L CB 1.738 43.795 42.059 -0.003 0.000 1.422 102 L HN 0.344 nan 8.230 nan 0.000 0.422 103 Q N 1.604 121.213 119.800 -0.317 0.000 2.347 103 Q HA 0.514 4.854 4.340 -0.000 0.000 0.265 103 Q C -1.577 174.133 176.000 -0.484 0.000 1.024 103 Q CA -0.711 54.785 55.803 -0.511 0.000 0.731 103 Q CB 2.468 30.848 28.738 -0.598 0.000 1.245 103 Q HN 0.443 nan 8.270 nan 0.000 0.472 104 L N 1.648 122.435 121.223 -0.726 0.000 2.371 104 L HA 0.416 4.756 4.340 -0.000 0.000 0.272 104 L C 0.273 176.822 176.870 -0.535 0.000 1.124 104 L CA 0.499 54.952 54.840 -0.644 0.000 0.816 104 L CB 1.414 42.907 42.059 -0.943 0.000 1.129 104 L HN 0.448 nan 8.230 nan 0.000 0.448 105 T N 0.837 115.195 114.554 -0.327 0.000 2.881 105 T HA 0.480 4.830 4.350 -0.000 0.000 0.291 105 T C -0.140 174.311 174.700 -0.415 0.000 0.990 105 T CA -0.758 61.172 62.100 -0.283 0.000 0.976 105 T CB 1.234 69.954 68.868 -0.246 0.000 0.970 105 T HN 0.720 nan 8.240 nan 0.000 0.438 106 T N 2.128 116.392 114.554 -0.484 0.000 2.918 106 T HA 0.643 4.993 4.350 -0.000 0.000 0.283 106 T C -2.682 171.563 174.700 -0.759 0.000 1.001 106 T CA -2.106 59.392 62.100 -1.003 0.000 1.041 106 T CB 1.052 69.392 68.868 -0.881 0.000 1.028 106 T HN 0.230 nan 8.240 nan 0.000 0.511 107 P HA 0.294 nan 4.420 nan 0.000 0.277 107 P C 0.546 177.668 177.300 -0.297 0.000 1.240 107 P CA -0.561 62.254 63.100 -0.476 0.000 0.798 107 P CB 0.766 32.219 31.700 -0.412 0.000 0.979 108 A N 2.643 125.358 122.820 -0.174 0.000 2.178 108 A HA -0.163 4.157 4.320 -0.000 0.000 0.218 108 A C 1.184 178.743 177.584 -0.041 0.000 1.157 108 A CA 1.421 53.405 52.037 -0.088 0.000 0.689 108 A CB -1.118 17.847 19.000 -0.059 0.000 0.787 108 A HN 0.721 nan 8.150 nan 0.000 0.465 109 N N -0.811 117.856 118.700 -0.056 0.000 2.351 109 N HA 0.371 5.111 4.740 -0.000 0.000 0.254 109 N C -0.015 175.492 175.510 -0.004 0.000 1.241 109 N CA 0.339 53.388 53.050 -0.002 0.000 0.883 109 N CB -0.502 38.001 38.487 0.026 0.000 1.202 109 N HN 0.226 nan 8.380 nan 0.000 0.512 110 A N 1.963 124.744 122.820 -0.064 0.000 2.511 110 A HA 0.363 4.683 4.320 -0.000 0.000 0.242 110 A C -2.028 175.600 177.584 0.073 0.000 1.069 110 A CA -0.790 51.255 52.037 0.014 0.000 0.763 110 A CB -0.149 18.755 19.000 -0.160 0.000 1.001 110 A HN 0.259 nan 8.150 nan 0.000 0.498 111 P HA 0.131 nan 4.420 nan 0.000 0.269 111 P C -0.406 176.972 177.300 0.131 0.000 1.215 111 P CA -0.116 63.054 63.100 0.118 0.000 0.780 111 P CB 0.497 32.282 31.700 0.142 0.000 0.898 112 I N 1.012 121.563 120.570 -0.031 0.000 2.519 112 I HA 0.535 4.705 4.170 -0.000 0.000 0.287 112 I C 1.391 177.534 176.117 0.043 0.000 1.047 112 I CA 0.704 61.977 61.300 -0.044 0.000 1.381 112 I CB -0.189 37.688 38.000 -0.204 0.000 1.417 112 I HN 0.721 nan 8.210 nan 0.000 0.540 113 G N 5.459 114.309 108.800 0.085 0.000 2.362 113 G HA2 0.077 4.037 3.960 -0.000 0.000 0.288 113 G HA3 0.077 4.037 3.960 -0.000 0.000 0.288 113 G C -1.616 173.281 174.900 -0.005 0.000 1.305 113 G CA -0.976 44.123 45.100 -0.002 0.000 0.910 113 G HN 0.492 nan 8.290 nan 0.000 0.518 114 L N 0.587 121.751 121.223 -0.098 0.000 2.319 114 L HA 0.631 4.971 4.340 -0.000 0.000 0.280 114 L C -0.793 175.939 176.870 -0.229 0.000 1.099 114 L CA -0.626 54.160 54.840 -0.091 0.000 0.828 114 L CB 0.446 42.449 42.059 -0.094 0.000 1.150 114 L HN 0.582 nan 8.230 nan 0.000 0.442 115 Y N 3.905 124.052 120.300 -0.255 0.000 2.468 115 Y HA 0.463 5.013 4.550 -0.000 0.000 0.342 115 Y C -0.087 175.588 175.900 -0.376 0.000 1.021 115 Y CA -0.798 57.062 58.100 -0.399 0.000 1.079 115 Y CB 1.750 39.715 38.460 -0.825 0.000 1.226 115 Y HN 0.431 nan 8.280 nan 0.000 0.460 116 R N 2.776 123.270 120.500 -0.010 0.000 2.255 116 R HA 0.470 4.810 4.340 -0.000 0.000 0.326 116 R C -1.612 174.661 176.300 -0.045 0.000 0.986 116 R CA -0.999 55.067 56.100 -0.058 0.000 0.847 116 R CB 1.445 31.753 30.300 0.014 0.000 1.111 116 R HN 0.430 nan 8.270 nan 0.000 0.452 117 L N 1.855 123.048 121.223 -0.050 0.000 2.298 117 L HA 0.440 4.780 4.340 -0.000 0.000 0.284 117 L C -0.849 176.080 176.870 0.100 0.000 1.013 117 L CA 0.185 55.118 54.840 0.155 0.000 0.824 117 L CB 1.759 44.058 42.059 0.401 0.000 1.221 117 L HN 0.486 nan 8.230 nan 0.000 0.418 118 S N 4.740 120.507 115.700 0.111 0.000 2.540 118 S HA 0.835 5.305 4.470 -0.000 0.000 0.275 118 S C -1.342 173.273 174.600 0.024 0.000 1.123 118 S CA -0.689 57.544 58.200 0.056 0.000 0.907 118 S CB 1.326 64.523 63.200 -0.004 0.000 1.081 118 S HN 0.635 nan 8.310 nan 0.000 0.476 119 L N 1.113 122.285 121.223 -0.085 0.000 2.303 119 L HA 0.798 5.138 4.340 -0.000 0.000 0.266 119 L C -0.415 176.311 176.870 -0.240 0.000 1.011 119 L CA -0.703 53.945 54.840 -0.321 0.000 0.818 119 L CB 0.434 42.033 42.059 -0.767 0.000 1.326 119 L HN 0.658 nan 8.230 nan 0.000 0.435 120 E N 0.556 120.595 120.200 -0.268 0.000 2.202 120 E HA 0.684 5.034 4.350 -0.000 0.000 0.272 120 E C 0.077 176.571 176.600 -0.177 0.000 0.951 120 E CA -0.728 55.565 56.400 -0.178 0.000 0.813 120 E CB 2.186 31.800 29.700 -0.143 0.000 1.151 120 E HN 0.872 nan 8.360 nan 0.000 0.398 121 A N 2.425 125.172 122.820 -0.123 0.000 3.155 121 A HA 0.241 4.561 4.320 -0.000 0.000 0.161 121 A C 0.604 178.131 177.584 -0.095 0.000 1.282 121 A CA 0.634 52.610 52.037 -0.103 0.000 1.112 121 A CB -0.012 18.945 19.000 -0.072 0.000 1.427 121 A HN 0.468 nan 8.150 nan 0.000 0.696 134 H N -0.819 118.312 119.070 0.101 0.000 2.895 134 H HA 0.631 5.187 4.556 -0.000 0.000 0.373 134 H C -1.239 174.153 175.328 0.107 0.000 1.174 134 H CA -0.397 55.659 56.048 0.012 0.000 1.144 134 H CB 2.325 32.062 29.762 -0.042 0.000 1.793 134 H HN 0.610 nan 8.280 nan 0.000 0.551 135 F N -0.543 119.550 119.950 0.237 0.000 2.620 135 F HA 0.704 5.231 4.527 -0.000 0.000 0.320 135 F C -1.044 174.840 175.800 0.139 0.000 1.069 135 F CA -1.279 56.775 58.000 0.091 0.000 0.953 135 F CB 1.330 40.284 39.000 -0.078 0.000 1.322 135 F HN 0.241 nan 8.300 nan 0.000 0.479 136 I N 2.881 123.614 120.570 0.272 0.000 2.389 136 I HA 0.323 4.493 4.170 -0.000 0.000 0.288 136 I C -1.381 174.881 176.117 0.242 0.000 0.999 136 I CA -0.836 60.594 61.300 0.217 0.000 1.129 136 I CB 1.872 39.944 38.000 0.120 0.000 1.288 136 I HN 0.484 nan 8.210 nan 0.000 0.444 137 L N 8.134 129.557 121.223 0.335 0.000 2.265 137 L HA 0.530 4.870 4.340 -0.000 0.000 0.289 137 L C -0.588 176.357 176.870 0.124 0.000 1.033 137 L CA 0.054 55.026 54.840 0.220 0.000 0.814 137 L CB 0.713 42.958 42.059 0.310 0.000 1.203 137 L HN 0.441 nan 8.230 nan 0.000 0.423 138 L N 3.513 124.791 121.223 0.092 0.000 2.335 138 L HA 0.526 4.866 4.340 -0.000 0.000 0.268 138 L C -0.275 176.659 176.870 0.106 0.000 1.016 138 L CA -0.923 53.989 54.840 0.119 0.000 0.805 138 L CB 0.878 43.070 42.059 0.222 0.000 1.311 138 L HN 0.303 nan 8.230 nan 0.000 0.456 139 F N 0.309 120.370 119.950 0.185 0.000 2.490 139 F HA 0.085 4.612 4.527 -0.000 0.000 0.336 139 F C 0.731 176.671 175.800 0.234 0.000 1.178 139 F CA 0.172 58.282 58.000 0.182 0.000 1.301 139 F CB 0.225 39.327 39.000 0.169 0.000 1.175 139 F HN 0.369 nan 8.300 nan 0.000 0.593 140 N N 1.053 120.017 118.700 0.440 0.000 2.626 140 N HA 0.352 5.092 4.740 -0.000 0.000 0.249 140 N C 0.243 176.017 175.510 0.440 0.000 1.021 140 N CA -0.170 53.148 53.050 0.446 0.000 0.886 140 N CB 1.275 39.955 38.487 0.322 0.000 1.149 140 N HN 0.619 nan 8.380 nan 0.000 0.517 141 A N 2.902 125.958 122.820 0.394 0.000 2.178 141 A HA -0.046 4.274 4.320 -0.000 0.000 0.218 141 A C 1.268 178.891 177.584 0.065 0.000 1.157 141 A CA 0.617 52.697 52.037 0.072 0.000 0.689 141 A CB -0.411 18.394 19.000 -0.324 0.000 0.787 141 A HN 0.763 nan 8.150 nan 0.000 0.465 142 W N -1.716 119.718 121.300 0.225 0.000 3.077 142 W HA 0.153 4.813 4.660 -0.000 0.000 0.266 142 W C 0.707 177.398 176.519 0.287 0.000 1.300 142 W CA -0.370 57.127 57.345 0.254 0.000 1.586 142 W CB -0.337 29.235 29.460 0.187 0.000 1.103 142 W HN 0.301 nan 8.180 nan 0.000 0.652 143 C N 3.275 122.817 119.300 0.404 0.000 2.281 143 C HA 0.253 4.713 4.460 -0.000 0.000 0.336 143 C C -0.651 174.215 174.990 -0.206 0.000 1.217 143 C CA -2.033 57.044 59.018 0.098 0.000 1.730 143 C CB 0.248 28.039 27.740 0.085 0.000 2.338 143 C HN -0.077 nan 8.230 nan 0.000 0.521 144 P HA -0.169 nan 4.420 nan 0.000 0.218 144 P C 1.277 178.286 177.300 -0.485 0.000 1.150 144 P CA 2.473 64.841 63.100 -1.221 0.000 0.841 144 P CB 0.158 31.425 31.700 -0.722 0.000 0.784 145 A N -1.720 120.958 122.820 -0.237 0.000 2.081 145 A HA -0.025 4.295 4.320 -0.000 0.000 0.214 145 A C 1.228 178.800 177.584 -0.020 0.000 1.158 145 A CA 0.167 52.143 52.037 -0.102 0.000 0.724 145 A CB -0.751 18.198 19.000 -0.086 0.000 0.826 145 A HN 0.088 nan 8.150 nan 0.000 0.463 146 D N 0.083 120.498 120.400 0.025 0.000 2.443 146 D HA 0.302 4.942 4.640 -0.000 0.000 0.239 146 D C 1.322 177.708 176.300 0.142 0.000 1.136 146 D CA 0.652 54.721 54.000 0.115 0.000 0.879 146 D CB 1.291 42.205 40.800 0.189 0.000 1.195 146 D HN 0.120 nan 8.370 nan 0.000 0.443 147 A N 2.963 125.869 122.820 0.142 0.000 2.070 147 A HA -0.118 4.202 4.320 -0.000 0.000 0.220 147 A C 1.790 179.412 177.584 0.064 0.000 1.159 147 A CA 1.535 53.627 52.037 0.092 0.000 0.656 147 A CB -0.360 18.696 19.000 0.092 0.000 0.800 147 A HN 0.563 nan 8.150 nan 0.000 0.453 148 V N -3.987 116.008 119.914 0.135 0.000 3.342 148 V HA 0.280 4.400 4.120 -0.000 0.000 0.322 148 V C 0.511 176.748 176.094 0.239 0.000 1.370 148 V CA -0.815 61.556 62.300 0.118 0.000 1.170 148 V CB -1.643 30.221 31.823 0.069 0.000 1.101 148 V HN 0.358 nan 8.190 nan 0.000 0.442 149 Y N 1.661 122.029 120.300 0.113 0.000 2.717 149 Y HA 0.378 4.928 4.550 -0.000 0.000 0.330 149 Y C -0.014 175.980 175.900 0.157 0.000 1.217 149 Y CA -0.537 57.624 58.100 0.102 0.000 1.506 149 Y CB 0.399 38.908 38.460 0.081 0.000 1.268 149 Y HN 0.322 nan 8.280 nan 0.000 0.561 150 L N 7.554 128.461 121.223 -0.528 0.000 2.294 150 L HA 0.137 4.477 4.340 -0.000 0.000 0.283 150 L C 1.331 177.554 176.870 -1.079 0.000 1.015 150 L CA -0.342 54.071 54.840 -0.711 0.000 0.831 150 L CB 1.054 42.727 42.059 -0.644 0.000 1.217 150 L HN 0.807 nan 8.230 nan 0.000 0.420 151 D N 1.749 121.624 120.400 -0.874 0.000 2.239 151 D HA -0.164 4.476 4.640 -0.000 0.000 0.202 151 D C 0.453 176.533 176.300 -0.368 0.000 0.993 151 D CA 1.181 54.826 54.000 -0.590 0.000 0.874 151 D CB 0.533 41.175 40.800 -0.263 0.000 0.922 151 D HN 0.481 nan 8.370 nan 0.000 0.464 152 S N -1.027 114.453 115.700 -0.368 0.000 2.536 152 S HA 0.280 4.750 4.470 -0.000 0.000 0.287 152 S C 0.642 175.087 174.600 -0.258 0.000 1.101 152 S CA -0.881 57.176 58.200 -0.238 0.000 0.950 152 S CB 2.426 65.521 63.200 -0.175 0.000 1.056 152 S HN -0.118 nan 8.310 nan 0.000 0.481 153 E N 2.151 122.257 120.200 -0.157 0.000 2.049 153 E HA -0.222 4.128 4.350 -0.000 0.000 0.198 153 E C 1.903 178.410 176.600 -0.154 0.000 1.007 153 E CA 2.217 58.540 56.400 -0.127 0.000 0.809 153 E CB -0.368 29.328 29.700 -0.006 0.000 0.749 153 E HN 0.985 nan 8.360 nan 0.000 0.450 154 E N 0.466 120.587 120.200 -0.132 0.000 2.130 154 E HA -0.215 4.135 4.350 -0.000 0.000 0.196 154 E C 1.826 178.278 176.600 -0.248 0.000 0.998 154 E CA 1.411 57.723 56.400 -0.147 0.000 0.806 154 E CB -0.336 29.295 29.700 -0.115 0.000 0.738 154 E HN 0.315 nan 8.360 nan 0.000 0.459 155 E N 0.585 120.614 120.200 -0.284 0.000 2.152 155 E HA -0.058 4.292 4.350 -0.000 0.000 0.192 155 E C 2.242 178.630 176.600 -0.354 0.000 0.983 155 E CA 0.470 56.649 56.400 -0.369 0.000 0.818 155 E CB 0.014 29.585 29.700 -0.215 0.000 0.758 155 E HN 0.287 nan 8.360 nan 0.000 0.467 156 R N 0.543 120.809 120.500 -0.390 0.000 2.090 156 R HA -0.058 4.282 4.340 -0.000 0.000 0.228 156 R C 2.367 178.491 176.300 -0.293 0.000 1.110 156 R CA 0.739 56.530 56.100 -0.515 0.000 0.973 156 R CB -0.047 29.656 30.300 -0.996 0.000 0.869 156 R HN 0.125 nan 8.270 nan 0.000 0.440 157 Q N 0.607 120.295 119.800 -0.187 0.000 2.084 157 Q HA -0.198 4.142 4.340 -0.000 0.000 0.202 157 Q C 1.937 177.881 176.000 -0.093 0.000 0.978 157 Q CA 1.516 57.292 55.803 -0.044 0.000 0.844 157 Q CB -0.019 28.700 28.738 -0.032 0.000 0.898 157 Q HN 0.257 nan 8.270 nan 0.000 0.426 158 E N -0.013 120.030 120.200 -0.261 0.000 2.016 158 E HA -0.139 4.211 4.350 -0.000 0.000 0.190 158 E C 1.476 177.925 176.600 -0.251 0.000 0.985 158 E CA 1.200 57.392 56.400 -0.348 0.000 0.802 158 E CB -0.260 29.037 29.700 -0.673 0.000 0.762 158 E HN 0.325 nan 8.360 nan 0.000 0.448 159 Y N -0.700 119.562 120.300 -0.063 0.000 2.583 159 Y HA 0.113 4.663 4.550 -0.000 0.000 0.293 159 Y C 1.699 177.563 175.900 -0.059 0.000 1.157 159 Y CA 0.324 58.396 58.100 -0.048 0.000 1.315 159 Y CB 0.182 38.661 38.460 0.031 0.000 1.021 159 Y HN -0.018 nan 8.280 nan 0.000 0.536 160 V N -2.073 117.886 119.914 0.075 0.000 3.103 160 V HA -0.007 4.113 4.120 -0.000 0.000 0.229 160 V C 1.752 177.961 176.094 0.191 0.000 1.304 160 V CA 0.291 62.667 62.300 0.127 0.000 1.298 160 V CB -0.091 31.823 31.823 0.151 0.000 1.093 160 V HN 0.113 nan 8.190 nan 0.000 0.489 161 L N 0.868 122.235 121.223 0.239 0.000 2.127 161 L HA 0.091 4.431 4.340 -0.000 0.000 0.203 161 L C 1.545 178.519 176.870 0.172 0.000 1.080 161 L CA 1.268 56.324 54.840 0.360 0.000 0.768 161 L CB -0.563 41.743 42.059 0.412 0.000 0.924 161 L HN 0.521 nan 8.230 nan 0.000 0.444 162 T N -1.692 112.905 114.554 0.073 0.000 2.853 162 T HA 0.030 4.380 4.350 -0.000 0.000 0.298 162 T C 0.583 175.299 174.700 0.027 0.000 0.978 162 T CA -0.259 61.870 62.100 0.049 0.000 1.152 162 T CB 1.075 69.953 68.868 0.016 0.000 0.914 162 T HN 0.254 nan 8.240 nan 0.000 0.539 163 Q N 1.374 121.204 119.800 0.051 0.000 2.319 163 Q HA 0.127 4.467 4.340 -0.000 0.000 0.202 163 Q C 0.238 176.341 176.000 0.172 0.000 0.896 163 Q CA -0.037 55.809 55.803 0.071 0.000 0.942 163 Q CB 0.373 29.103 28.738 -0.014 0.000 1.083 163 Q HN 0.671 nan 8.270 nan 0.000 0.510 164 Q N -0.293 119.584 119.800 0.128 0.000 2.387 164 Q HA 0.746 5.086 4.340 -0.000 0.000 0.273 164 Q C -0.137 175.849 176.000 -0.023 0.000 1.089 164 Q CA -0.503 55.295 55.803 -0.009 0.000 0.824 164 Q CB 2.383 31.067 28.738 -0.091 0.000 1.367 164 Q HN 0.159 nan 8.270 nan 0.000 0.443 165 G N 0.063 108.705 108.800 -0.263 0.000 2.490 165 G HA2 0.666 4.626 3.960 -0.000 0.000 0.308 165 G HA3 0.666 4.626 3.960 -0.000 0.000 0.308 165 G C -1.857 172.660 174.900 -0.638 0.000 1.286 165 G CA -0.639 44.286 45.100 -0.291 0.000 0.825 165 G HN 0.312 nan 8.290 nan 0.000 0.479 166 F N -0.461 119.397 119.950 -0.153 0.000 2.565 166 F HA 0.685 5.212 4.527 -0.000 0.000 0.313 166 F C -0.114 175.411 175.800 -0.458 0.000 1.091 166 F CA -0.792 56.968 58.000 -0.401 0.000 0.915 166 F CB 2.742 41.390 39.000 -0.587 0.000 1.208 166 F HN 0.130 nan 8.300 nan 0.000 0.453 167 I N 2.987 123.347 120.570 -0.350 0.000 2.382 167 I HA 0.255 4.425 4.170 -0.000 0.000 0.286 167 I C -1.110 174.619 176.117 -0.646 0.000 1.002 167 I CA -0.694 60.361 61.300 -0.408 0.000 1.135 167 I CB 1.125 38.913 38.000 -0.353 0.000 1.288 167 I HN 0.444 nan 8.210 nan 0.000 0.448 168 Y N 5.988 126.097 120.300 -0.318 0.000 2.402 168 Y HA 0.293 4.843 4.550 -0.000 0.000 0.333 168 Y C 0.676 176.171 175.900 -0.675 0.000 1.076 168 Y CA 0.177 58.044 58.100 -0.390 0.000 1.299 168 Y CB 0.549 38.853 38.460 -0.261 0.000 1.197 168 Y HN 0.570 nan 8.280 nan 0.000 0.517 169 Q N 1.005 120.443 119.800 -0.603 0.000 3.348 169 Q HA 0.686 5.026 4.340 -0.000 0.000 0.330 169 Q C 0.557 176.282 176.000 -0.458 0.000 0.928 169 Q CA -0.529 54.666 55.803 -1.013 0.000 0.823 169 Q CB 1.712 29.907 28.738 -0.905 0.000 1.774 169 Q HN 0.796 nan 8.270 nan 0.000 0.433 170 G N 1.185 109.790 108.800 -0.325 0.000 2.552 170 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.267 170 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.267 170 G C -0.326 174.677 174.900 0.173 0.000 1.174 170 G CA 0.051 45.006 45.100 -0.241 0.000 0.955 170 G HN 0.853 nan 8.290 nan 0.000 0.546 171 S N -1.086 114.661 115.700 0.078 0.000 2.579 171 S HA 0.762 5.232 4.470 -0.000 0.000 0.272 171 S C 1.212 175.622 174.600 -0.317 0.000 1.141 171 S CA 0.793 59.059 58.200 0.111 0.000 0.843 171 S CB 1.228 64.535 63.200 0.178 0.000 1.122 171 S HN 2.318 nan 8.310 nan 0.000 0.468 172 A N 2.771 125.389 122.820 -0.337 0.000 1.997 172 A HA -0.084 4.236 4.320 -0.000 0.000 0.221 172 A C 1.749 179.139 177.584 -0.324 0.000 1.172 172 A CA 1.801 53.513 52.037 -0.540 0.000 0.645 172 A CB -0.564 18.347 19.000 -0.149 0.000 0.813 172 A HN 0.815 nan 8.150 nan 0.000 0.454 173 K N -3.074 117.251 120.400 -0.125 0.000 2.404 173 K HA 0.235 4.555 4.320 -0.000 0.000 0.194 173 K C -0.747 175.897 176.600 0.074 0.000 1.023 173 K CA 0.015 56.284 56.287 -0.029 0.000 1.094 173 K CB 0.261 32.776 32.500 0.026 0.000 0.841 173 K HN 0.383 nan 8.250 nan 0.000 0.523 174 F N 1.227 121.071 119.950 -0.176 0.000 3.159 174 F HA 0.304 4.831 4.527 -0.000 0.000 0.394 174 F C -0.961 174.694 175.800 -0.242 0.000 1.214 174 F CA -0.819 57.089 58.000 -0.153 0.000 1.241 174 F CB 0.496 39.461 39.000 -0.059 0.000 2.238 174 F HN -0.230 nan 8.300 nan 0.000 0.658 175 I N 5.060 125.332 120.570 -0.497 0.000 2.598 175 I HA 0.102 4.272 4.170 -0.000 0.000 0.284 175 I C 0.179 176.018 176.117 -0.464 0.000 1.140 175 I CA 0.204 61.244 61.300 -0.434 0.000 1.420 175 I CB 0.328 38.111 38.000 -0.362 0.000 1.387 175 I HN 0.227 nan 8.210 nan 0.000 0.553 176 K N 6.053 126.212 120.400 -0.402 0.000 2.164 176 K HA 0.352 4.672 4.320 -0.000 0.000 0.258 176 K C -0.625 175.760 176.600 -0.358 0.000 0.951 176 K CA -0.718 55.313 56.287 -0.427 0.000 0.844 176 K CB 1.690 33.850 32.500 -0.565 0.000 1.099 176 K HN 0.574 nan 8.250 nan 0.000 0.435 177 N N 2.615 121.070 118.700 -0.408 0.000 2.511 177 N HA 0.196 4.936 4.740 -0.000 0.000 0.249 177 N C -0.646 174.602 175.510 -0.437 0.000 0.971 177 N CA -0.572 52.083 53.050 -0.658 0.000 0.938 177 N CB 0.767 38.676 38.487 -0.963 0.000 1.131 177 N HN 0.212 nan 8.380 nan 0.000 0.505 178 I N 3.448 123.808 120.570 -0.350 0.000 2.371 178 I HA 0.292 4.462 4.170 -0.000 0.000 0.290 178 I C -1.857 174.284 176.117 0.040 0.000 1.028 178 I CA -2.362 58.862 61.300 -0.127 0.000 1.345 178 I CB 1.018 38.916 38.000 -0.170 0.000 1.407 178 I HN 0.418 nan 8.210 nan 0.000 0.501 179 P HA 0.052 nan 4.420 nan 0.000 0.274 179 P C -1.055 176.248 177.300 0.006 0.000 1.231 179 P CA -0.402 62.669 63.100 -0.049 0.000 0.790 179 P CB 0.976 32.650 31.700 -0.045 0.000 0.951 180 W N 3.076 124.127 121.300 -0.415 0.000 3.425 180 W HA 0.206 4.866 4.660 -0.000 0.000 0.318 180 W C -1.617 174.549 176.519 -0.589 0.000 1.201 180 W CA -0.504 56.557 57.345 -0.473 0.000 1.212 180 W CB 1.998 31.076 29.460 -0.635 0.000 1.355 180 W HN 0.278 nan 8.180 nan 0.000 0.515 181 N N 3.878 122.198 118.700 -0.635 0.000 2.500 181 N HA 0.220 4.960 4.740 -0.000 0.000 0.236 181 N C 0.371 175.711 175.510 -0.282 0.000 1.022 181 N CA -0.132 52.688 53.050 -0.384 0.000 0.935 181 N CB 0.132 38.434 38.487 -0.308 0.000 1.147 181 N HN 0.187 nan 8.380 nan 0.000 0.512 182 F N 2.120 122.139 119.950 0.115 0.000 2.186 182 F HA 0.176 4.703 4.527 -0.000 0.000 0.299 182 F C 2.115 177.915 175.800 -0.001 0.000 1.090 182 F CA 0.906 58.992 58.000 0.144 0.000 1.307 182 F CB -0.681 38.366 39.000 0.078 0.000 1.019 182 F HN 0.630 nan 8.300 nan 0.000 0.489 183 G N 1.420 110.284 108.800 0.107 0.000 2.421 183 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.300 183 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.300 183 G C 1.255 176.144 174.900 -0.018 0.000 0.974 183 G CA 0.728 45.831 45.100 0.006 0.000 1.062 183 G HN 0.506 nan 8.290 nan 0.000 0.514 184 Q N -0.987 118.729 119.800 -0.140 0.000 2.291 184 Q HA -0.066 4.274 4.340 -0.000 0.000 0.206 184 Q C 1.424 177.408 176.000 -0.027 0.000 0.976 184 Q CA 1.312 57.013 55.803 -0.171 0.000 0.875 184 Q CB -0.236 28.293 28.738 -0.348 0.000 0.927 184 Q HN 0.617 nan 8.270 nan 0.000 0.450 185 F N 1.618 121.612 119.950 0.073 0.000 2.641 185 F HA 0.361 4.888 4.527 -0.000 0.000 0.302 185 F C 0.819 176.639 175.800 0.034 0.000 1.098 185 F CA -0.902 57.131 58.000 0.056 0.000 1.318 185 F CB -0.228 38.800 39.000 0.047 0.000 1.035 185 F HN -0.027 nan 8.300 nan 0.000 0.551 186 Q N 0.494 120.390 119.800 0.160 0.000 2.417 186 Q HA 0.016 4.356 4.340 -0.000 0.000 0.241 186 Q C -0.218 175.855 176.000 0.120 0.000 1.008 186 Q CA -0.332 55.534 55.803 0.106 0.000 0.901 186 Q CB 0.694 29.465 28.738 0.055 0.000 1.259 186 Q HN 0.102 nan 8.270 nan 0.000 0.489 187 D N -0.354 120.108 120.400 0.104 0.000 2.520 187 D HA 0.052 4.692 4.640 -0.000 0.000 0.243 187 D C 0.876 177.225 176.300 0.081 0.000 1.160 187 D CA 1.878 55.934 54.000 0.093 0.000 0.877 187 D CB -0.013 40.834 40.800 0.078 0.000 1.150 187 D HN 0.701 nan 8.370 nan 0.000 0.494 188 G N 3.676 112.525 108.800 0.082 0.000 2.179 188 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.260 188 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.260 188 G C 1.115 176.069 174.900 0.089 0.000 0.977 188 G CA 0.285 45.429 45.100 0.074 0.000 0.641 188 G HN 0.523 nan 8.290 nan 0.000 0.533 189 I N 0.440 121.073 120.570 0.105 0.000 2.353 189 I HA 0.039 4.209 4.170 -0.000 0.000 0.248 189 I C 2.724 178.914 176.117 0.121 0.000 1.119 189 I CA 1.115 62.481 61.300 0.111 0.000 1.417 189 I CB -1.030 37.036 38.000 0.110 0.000 1.078 189 I HN 0.367 nan 8.210 nan 0.000 0.421 190 L N 0.725 122.029 121.223 0.135 0.000 2.046 190 L HA -0.248 4.092 4.340 -0.000 0.000 0.208 190 L C 2.165 179.096 176.870 0.102 0.000 1.077 190 L CA 1.794 56.714 54.840 0.134 0.000 0.747 190 L CB -0.358 41.784 42.059 0.138 0.000 0.896 190 L HN 0.246 nan 8.230 nan 0.000 0.432 191 D N -0.021 120.430 120.400 0.084 0.000 2.178 191 D HA -0.179 4.461 4.640 -0.000 0.000 0.201 191 D C 2.217 178.562 176.300 0.075 0.000 0.980 191 D CA 1.287 55.323 54.000 0.060 0.000 0.842 191 D CB 0.020 40.844 40.800 0.040 0.000 0.948 191 D HN 0.440 nan 8.370 nan 0.000 0.472 192 I N 0.481 121.116 120.570 0.107 0.000 2.353 192 I HA -0.225 3.945 4.170 -0.000 0.000 0.248 192 I C 2.368 178.595 176.117 0.183 0.000 1.119 192 I CA 0.458 61.859 61.300 0.169 0.000 1.417 192 I CB -0.095 38.022 38.000 0.196 0.000 1.078 192 I HN 0.055 nan 8.210 nan 0.000 0.421 193 C N 0.670 120.043 119.300 0.121 0.000 2.440 193 C HA -0.102 4.358 4.460 -0.000 0.000 0.278 193 C C 2.719 177.757 174.990 0.080 0.000 1.295 193 C CA 0.508 59.580 59.018 0.090 0.000 1.738 193 C CB -0.922 26.872 27.740 0.091 0.000 1.987 193 C HN 0.447 nan 8.230 nan 0.000 0.492 194 L N 0.342 121.607 121.223 0.070 0.000 2.056 194 L HA -0.126 4.214 4.340 -0.000 0.000 0.207 194 L C 2.455 179.322 176.870 -0.005 0.000 1.078 194 L CA 1.473 56.329 54.840 0.026 0.000 0.749 194 L CB -0.547 41.520 42.059 0.013 0.000 0.901 194 L HN 0.337 nan 8.230 nan 0.000 0.433 195 I N -0.324 120.268 120.570 0.036 0.000 2.208 195 I HA -0.321 3.849 4.170 -0.000 0.000 0.245 195 I C 2.538 178.726 176.117 0.119 0.000 1.097 195 I CA 0.970 62.289 61.300 0.032 0.000 1.363 195 I CB -0.266 37.769 38.000 0.058 0.000 1.051 195 I HN 0.309 nan 8.210 nan 0.000 0.413 196 L N 1.037 122.398 121.223 0.231 0.000 2.042 196 L HA -0.220 4.120 4.340 -0.000 0.000 0.210 196 L C 2.350 179.259 176.870 0.065 0.000 1.076 196 L CA 2.097 57.066 54.840 0.215 0.000 0.749 196 L CB -0.615 41.452 42.059 0.013 0.000 0.893 196 L HN 0.271 nan 8.230 nan 0.000 0.432 197 L N -0.579 120.646 121.223 0.004 0.000 2.044 197 L HA -0.159 4.181 4.340 -0.000 0.000 0.205 197 L C 1.956 178.715 176.870 -0.184 0.000 1.075 197 L CA 0.998 55.817 54.840 -0.035 0.000 0.747 197 L CB -0.666 41.394 42.059 0.002 0.000 0.903 197 L HN 0.177 nan 8.230 nan 0.000 0.435 198 D N -0.621 119.551 120.400 -0.380 0.000 2.392 198 D HA -0.092 4.548 4.640 -0.000 0.000 0.228 198 D C 1.440 177.315 176.300 -0.708 0.000 1.003 198 D CA 0.749 54.144 54.000 -1.008 0.000 0.917 198 D CB 0.469 40.796 40.800 -0.789 0.000 0.890 198 D HN 0.103 nan 8.370 nan 0.000 0.532 199 V N 0.525 120.316 119.914 -0.205 0.000 3.330 199 V HA 0.059 4.179 4.120 -0.000 0.000 0.309 199 V C 0.002 176.154 176.094 0.097 0.000 1.481 199 V CA -0.340 61.958 62.300 -0.004 0.000 1.068 199 V CB -0.037 31.811 31.823 0.041 0.000 0.935 199 V HN 0.101 nan 8.190 nan 0.000 0.453 200 N N 0.529 119.281 118.700 0.087 0.000 2.525 200 N HA 0.261 5.001 4.740 -0.000 0.000 0.271 200 N C -1.473 174.135 175.510 0.163 0.000 1.194 200 N CA -0.877 52.240 53.050 0.113 0.000 0.964 200 N CB 1.108 39.640 38.487 0.075 0.000 1.126 200 N HN -0.091 nan 8.380 nan 0.000 0.452 201 P HA -0.265 nan 4.420 nan 0.000 0.219 201 P C 0.441 177.827 177.300 0.142 0.000 1.158 201 P CA 2.172 65.345 63.100 0.122 0.000 0.895 201 P CB 0.091 31.848 31.700 0.094 0.000 0.792 202 K N -2.451 118.046 120.400 0.160 0.000 2.283 202 K HA -0.111 4.209 4.320 -0.000 0.000 0.202 202 K C 1.939 178.674 176.600 0.225 0.000 1.048 202 K CA 0.945 57.344 56.287 0.186 0.000 0.948 202 K CB -0.496 32.145 32.500 0.235 0.000 0.742 202 K HN 0.191 nan 8.250 nan 0.000 0.458 203 F N 1.160 121.165 119.950 0.092 0.000 2.335 203 F HA 0.021 4.548 4.527 -0.000 0.000 0.296 203 F C 1.577 177.410 175.800 0.055 0.000 1.091 203 F CA 0.633 58.680 58.000 0.077 0.000 1.399 203 F CB 0.178 39.225 39.000 0.078 0.000 1.067 203 F HN -0.144 nan 8.300 nan 0.000 0.520 204 L N -0.150 121.218 121.223 0.242 0.000 2.093 204 L HA -0.155 4.185 4.340 -0.000 0.000 0.208 204 L C 2.413 179.299 176.870 0.027 0.000 1.085 204 L CA 0.950 55.868 54.840 0.129 0.000 0.755 204 L CB -0.686 41.456 42.059 0.138 0.000 0.904 204 L HN -0.008 nan 8.230 nan 0.000 0.435 205 K N 0.196 120.616 120.400 0.034 0.000 2.062 205 K HA -0.034 4.286 4.320 -0.000 0.000 0.205 205 K C 0.653 177.232 176.600 -0.036 0.000 1.051 205 K CA 0.881 57.173 56.287 0.007 0.000 0.941 205 K CB -0.168 32.349 32.500 0.027 0.000 0.719 205 K HN 0.298 nan 8.250 nan 0.000 0.440 206 N N -0.983 117.679 118.700 -0.063 0.000 2.827 206 N HA 0.174 4.914 4.740 -0.000 0.000 0.240 206 N C -0.026 175.367 175.510 -0.194 0.000 1.352 206 N CA -0.000 52.985 53.050 -0.107 0.000 0.760 206 N CB 0.807 39.264 38.487 -0.049 0.000 1.426 206 N HN -0.058 nan 8.380 nan 0.000 0.561 207 A N 1.717 124.286 122.820 -0.418 0.000 1.986 207 A HA -0.081 4.239 4.320 -0.000 0.000 0.220 207 A C 1.982 179.363 177.584 -0.338 0.000 1.171 207 A CA 2.112 53.680 52.037 -0.782 0.000 0.640 207 A CB -0.714 17.539 19.000 -1.245 0.000 0.811 207 A HN 0.695 nan 8.150 nan 0.000 0.451 208 G N -0.771 107.906 108.800 -0.204 0.000 2.404 208 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.215 208 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.215 208 G C 1.736 176.601 174.900 -0.058 0.000 1.174 208 G CA 0.992 46.031 45.100 -0.102 0.000 0.780 208 G HN 0.562 nan 8.290 nan 0.000 0.537 209 R N 0.247 120.713 120.500 -0.057 0.000 2.073 209 R HA -0.071 4.269 4.340 -0.000 0.000 0.234 209 R C 2.244 178.510 176.300 -0.056 0.000 1.134 209 R CA 1.882 57.953 56.100 -0.049 0.000 0.952 209 R CB -0.508 29.772 30.300 -0.033 0.000 0.850 209 R HN 0.398 nan 8.270 nan 0.000 0.433 210 D N -0.474 119.940 120.400 0.024 0.000 2.106 210 D HA -0.216 4.424 4.640 -0.000 0.000 0.191 210 D C 1.701 178.079 176.300 0.130 0.000 0.997 210 D CA 1.983 56.075 54.000 0.153 0.000 0.834 210 D CB -0.159 40.852 40.800 0.351 0.000 0.956 210 D HN 0.324 nan 8.370 nan 0.000 0.448 211 C N -0.417 118.971 119.300 0.147 0.000 2.410 211 C HA -0.064 4.396 4.460 -0.000 0.000 0.281 211 C C 2.950 177.968 174.990 0.047 0.000 1.318 211 C CA 1.086 60.179 59.018 0.125 0.000 1.776 211 C CB -1.242 26.567 27.740 0.116 0.000 1.942 211 C HN 0.446 nan 8.230 nan 0.000 0.508 212 S N 0.063 115.760 115.700 -0.004 0.000 2.362 212 S HA -0.046 4.424 4.470 -0.000 0.000 0.221 212 S C 2.052 176.607 174.600 -0.076 0.000 1.032 212 S CA 0.814 59.003 58.200 -0.019 0.000 0.973 212 S CB -0.266 62.917 63.200 -0.029 0.000 0.849 212 S HN 0.576 nan 8.310 nan 0.000 0.465 213 R N 0.638 120.995 120.500 -0.239 0.000 2.285 213 R HA 0.129 4.469 4.340 -0.000 0.000 0.213 213 R C 1.374 177.496 176.300 -0.298 0.000 1.068 213 R CA 0.429 56.234 56.100 -0.493 0.000 1.004 213 R CB -0.166 29.393 30.300 -1.235 0.000 0.873 213 R HN 0.380 nan 8.270 nan 0.000 0.467 214 R N 0.571 121.060 120.500 -0.019 0.000 2.391 214 R HA -0.005 4.335 4.340 -0.000 0.000 0.225 214 R C 1.545 177.940 176.300 0.159 0.000 1.079 214 R CA 0.482 56.717 56.100 0.225 0.000 1.147 214 R CB 0.116 30.540 30.300 0.207 0.000 1.103 214 R HN 0.169 nan 8.270 nan 0.000 0.499 215 S N -1.492 114.281 115.700 0.122 0.000 2.492 215 S HA 0.005 4.475 4.470 -0.000 0.000 0.218 215 S C 0.962 175.713 174.600 0.251 0.000 1.016 215 S CA -0.372 57.888 58.200 0.100 0.000 0.916 215 S CB 0.508 63.756 63.200 0.079 0.000 0.791 215 S HN 0.092 nan 8.310 nan 0.000 0.513 216 S N 3.359 119.241 115.700 0.303 0.000 2.452 216 S HA 0.411 4.881 4.470 -0.000 0.000 0.284 216 S C -1.416 173.432 174.600 0.413 0.000 1.171 216 S CA -1.690 56.713 58.200 0.338 0.000 1.064 216 S CB 1.355 64.705 63.200 0.250 0.000 0.967 216 S HN 0.183 nan 8.310 nan 0.000 0.484 217 P HA -0.092 nan 4.420 nan 0.000 0.220 217 P C 1.627 178.929 177.300 0.002 0.000 1.148 217 P CA 0.880 63.923 63.100 -0.095 0.000 0.803 217 P CB -0.114 31.369 31.700 -0.362 0.000 0.782 218 V N -1.723 118.238 119.914 0.079 0.000 2.548 218 V HA -0.213 3.907 4.120 -0.000 0.000 0.249 218 V C 2.434 178.579 176.094 0.086 0.000 1.055 218 V CA 1.296 63.641 62.300 0.074 0.000 1.065 218 V CB -1.601 30.297 31.823 0.126 0.000 0.681 218 V HN -0.066 nan 8.190 nan 0.000 0.462 219 Y N 0.881 121.223 120.300 0.072 0.000 2.163 219 Y HA -0.084 4.466 4.550 -0.000 0.000 0.288 219 Y C 2.371 178.313 175.900 0.069 0.000 1.136 219 Y CA 2.468 60.609 58.100 0.068 0.000 1.147 219 Y CB -0.306 38.216 38.460 0.103 0.000 0.987 219 Y HN 0.136 nan 8.280 nan 0.000 0.509 220 V N 0.306 120.329 119.914 0.182 0.000 2.407 220 V HA -0.251 3.869 4.120 -0.000 0.000 0.248 220 V C 2.577 178.647 176.094 -0.040 0.000 1.055 220 V CA 1.787 64.154 62.300 0.112 0.000 1.049 220 V CB -1.581 30.431 31.823 0.316 0.000 0.662 220 V HN 0.643 nan 8.190 nan 0.000 0.455 221 G N 0.070 108.838 108.800 -0.054 0.000 2.459 221 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.217 221 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.217 221 G C 1.727 176.548 174.900 -0.131 0.000 1.183 221 G CA 0.741 45.790 45.100 -0.084 0.000 0.776 221 G HN 0.427 nan 8.290 nan 0.000 0.552 222 R N -0.274 120.113 120.500 -0.189 0.000 2.127 222 R HA -0.024 4.316 4.340 -0.000 0.000 0.238 222 R C 2.601 178.765 176.300 -0.228 0.000 1.134 222 R CA 1.041 57.000 56.100 -0.234 0.000 0.975 222 R CB -0.361 29.749 30.300 -0.317 0.000 0.865 222 R HN 0.345 nan 8.270 nan 0.000 0.447 223 V N -0.148 119.604 119.914 -0.270 0.000 2.302 223 V HA -0.097 4.023 4.120 -0.000 0.000 0.243 223 V C 2.439 178.447 176.094 -0.143 0.000 1.036 223 V CA 2.006 64.179 62.300 -0.212 0.000 1.020 223 V CB -1.003 30.684 31.823 -0.227 0.000 0.657 223 V HN 0.488 nan 8.190 nan 0.000 0.453 224 G N -0.496 108.235 108.800 -0.116 0.000 2.553 224 G HA2 -0.396 3.564 3.960 -0.000 0.000 0.218 224 G HA3 -0.396 3.564 3.960 -0.000 0.000 0.218 224 G C 1.947 176.763 174.900 -0.140 0.000 1.195 224 G CA 1.668 46.705 45.100 -0.105 0.000 0.779 224 G HN 0.479 nan 8.290 nan 0.000 0.577 225 S N 0.524 116.140 115.700 -0.140 0.000 2.359 225 S HA -0.072 4.398 4.470 -0.000 0.000 0.223 225 S C 2.520 176.980 174.600 -0.233 0.000 1.039 225 S CA 2.153 60.256 58.200 -0.163 0.000 1.042 225 S CB -0.913 62.195 63.200 -0.152 0.000 0.915 225 S HN 0.570 nan 8.310 nan 0.000 0.439 226 G N 0.701 109.352 108.800 -0.247 0.000 2.443 226 G HA2 -0.095 3.865 3.960 -0.000 0.000 0.219 226 G HA3 -0.095 3.865 3.960 -0.000 0.000 0.219 226 G C 1.369 176.127 174.900 -0.237 0.000 1.131 226 G CA 0.679 45.591 45.100 -0.312 0.000 0.775 226 G HN 0.441 nan 8.290 nan 0.000 0.547 227 M N 0.519 120.004 119.600 -0.191 0.000 2.492 227 M HA 0.103 4.583 4.480 -0.000 0.000 0.262 227 M C 2.519 178.659 176.300 -0.268 0.000 1.090 227 M CA 0.340 55.529 55.300 -0.185 0.000 1.110 227 M CB -0.234 32.265 32.600 -0.168 0.000 1.407 227 M HN 0.108 nan 8.290 nan 0.000 0.470 228 V N 0.781 120.522 119.914 -0.288 0.000 2.307 228 V HA -0.215 3.905 4.120 -0.000 0.000 0.245 228 V C 2.027 177.885 176.094 -0.393 0.000 1.045 228 V CA 1.927 64.034 62.300 -0.321 0.000 1.024 228 V CB -0.377 31.299 31.823 -0.245 0.000 0.651 228 V HN 0.607 nan 8.190 nan 0.000 0.449 229 N N -3.039 115.374 118.700 -0.478 0.000 2.200 229 N HA -0.027 4.713 4.740 -0.000 0.000 0.233 229 N C 1.619 176.939 175.510 -0.317 0.000 1.236 229 N CA 0.538 53.267 53.050 -0.534 0.000 0.845 229 N CB 0.527 38.318 38.487 -1.161 0.000 1.257 229 N HN 0.381 nan 8.380 nan 0.000 0.472 230 C N 1.980 121.089 119.300 -0.319 0.000 3.617 230 C HA -0.022 4.438 4.460 -0.000 0.000 0.295 230 C C 0.783 175.714 174.990 -0.098 0.000 1.224 230 C CA 0.641 59.517 59.018 -0.236 0.000 1.817 230 C CB -1.451 26.040 27.740 -0.415 0.000 2.043 230 C HN 0.469 nan 8.230 nan 0.000 0.427 231 N N 2.529 121.189 118.700 -0.066 0.000 2.316 231 N HA -0.064 4.676 4.740 -0.000 0.000 0.296 231 N C 0.532 176.058 175.510 0.027 0.000 1.291 231 N CA 0.599 53.659 53.050 0.016 0.000 1.096 231 N CB -0.391 38.114 38.487 0.030 0.000 1.494 231 N HN 0.665 nan 8.380 nan 0.000 0.486 232 D N -0.155 120.266 120.400 0.035 0.000 2.397 232 D HA -0.207 4.433 4.640 -0.000 0.000 0.219 232 D C 0.307 176.649 176.300 0.070 0.000 0.975 232 D CA 1.132 55.162 54.000 0.050 0.000 0.940 232 D CB 0.279 41.111 40.800 0.054 0.000 0.884 232 D HN 0.316 nan 8.370 nan 0.000 0.505 233 D N 0.116 120.563 120.400 0.078 0.000 2.355 233 D HA -0.039 4.601 4.640 -0.000 0.000 0.233 233 D C 1.735 178.107 176.300 0.119 0.000 0.997 233 D CA 0.607 54.657 54.000 0.084 0.000 0.920 233 D CB -0.083 40.761 40.800 0.073 0.000 1.063 233 D HN 0.146 nan 8.370 nan 0.000 0.465 234 Q N 0.965 120.855 119.800 0.151 0.000 2.320 234 Q HA 0.208 4.548 4.340 -0.000 0.000 0.201 234 Q C 0.728 176.952 176.000 0.374 0.000 0.910 234 Q CA -0.141 55.822 55.803 0.267 0.000 0.946 234 Q CB 0.182 29.068 28.738 0.247 0.000 1.062 234 Q HN 0.075 nan 8.270 nan 0.000 0.503 235 G N 0.293 109.205 108.800 0.188 0.000 2.391 235 G HA2 0.172 4.132 3.960 -0.000 0.000 0.234 235 G HA3 0.172 4.132 3.960 -0.000 0.000 0.234 235 G C 1.116 176.026 174.900 0.018 0.000 1.284 235 G CA -0.381 44.746 45.100 0.045 0.000 0.873 235 G HN 0.106 nan 8.290 nan 0.000 0.549 236 V N 2.607 122.319 119.914 -0.336 0.000 2.323 236 V HA 0.047 4.167 4.120 -0.000 0.000 0.244 236 V C 1.242 177.214 176.094 -0.204 0.000 1.041 236 V CA 1.265 63.194 62.300 -0.619 0.000 1.025 236 V CB -0.670 30.668 31.823 -0.810 0.000 0.656 236 V HN 0.437 nan 8.190 nan 0.000 0.451 237 L N -0.232 120.915 121.223 -0.126 0.000 2.354 237 L HA 0.571 4.911 4.340 -0.000 0.000 0.269 237 L C -1.012 175.905 176.870 0.078 0.000 1.005 237 L CA -0.697 54.151 54.840 0.014 0.000 0.819 237 L CB 2.307 44.442 42.059 0.126 0.000 1.311 237 L HN 0.092 nan 8.230 nan 0.000 0.423 238 L N 1.684 122.994 121.223 0.146 0.000 2.280 238 L HA 0.683 5.023 4.340 -0.000 0.000 0.287 238 L C 0.269 177.327 176.870 0.313 0.000 1.023 238 L CA 0.097 55.058 54.840 0.202 0.000 0.819 238 L CB 1.208 43.376 42.059 0.182 0.000 1.212 238 L HN 0.551 nan 8.230 nan 0.000 0.420 239 G N 4.358 113.352 108.800 0.324 0.000 2.503 239 G HA2 0.487 4.447 3.960 -0.000 0.000 0.257 239 G HA3 0.487 4.447 3.960 -0.000 0.000 0.257 239 G C -0.878 174.047 174.900 0.040 0.000 1.214 239 G CA -0.494 44.678 45.100 0.121 0.000 0.839 239 G HN 0.788 nan 8.290 nan 0.000 0.559 240 R N 0.742 121.007 120.500 -0.392 0.000 2.566 240 R HA 0.251 4.591 4.340 -0.000 0.000 0.271 240 R C -0.934 175.263 176.300 -0.171 0.000 1.071 240 R CA -0.873 55.161 56.100 -0.111 0.000 0.915 240 R CB 1.326 31.398 30.300 -0.380 0.000 1.228 240 R HN 0.688 nan 8.270 nan 0.000 0.449 241 W N 2.760 124.127 121.300 0.113 0.000 2.518 241 W HA 0.059 4.719 4.660 -0.000 0.000 0.352 241 W C 0.348 176.895 176.519 0.047 0.000 0.952 241 W CA -0.070 57.346 57.345 0.117 0.000 1.624 241 W CB 1.032 30.508 29.460 0.026 0.000 1.135 241 W HN 0.644 nan 8.180 nan 0.000 0.540 242 D N -0.917 119.531 120.400 0.080 0.000 2.325 242 D HA -0.048 4.592 4.640 -0.000 0.000 0.225 242 D C 0.768 176.932 176.300 -0.227 0.000 1.096 242 D CA 0.059 54.022 54.000 -0.062 0.000 0.844 242 D CB -0.366 40.387 40.800 -0.080 0.000 0.925 242 D HN -0.056 nan 8.370 nan 0.000 0.513 243 N N -0.436 118.027 118.700 -0.396 0.000 2.828 243 N HA -0.246 4.494 4.740 -0.000 0.000 0.248 243 N C -1.115 173.940 175.510 -0.760 0.000 1.044 243 N CA 0.837 53.612 53.050 -0.459 0.000 0.851 243 N CB -2.000 36.439 38.487 -0.081 0.000 1.136 243 N HN 0.456 nan 8.380 nan 0.000 0.572 244 N N 0.087 118.162 118.700 -1.041 0.000 2.800 244 N HA 0.307 5.047 4.740 -0.000 0.000 0.240 244 N C -0.871 174.207 175.510 -0.720 0.000 1.096 244 N CA -0.355 52.315 53.050 -0.632 0.000 0.877 244 N CB 0.189 38.471 38.487 -0.341 0.000 1.138 244 N HN 0.188 nan 8.380 nan 0.000 0.509 245 Y N -0.082 120.174 120.300 -0.073 0.000 2.720 245 Y HA 0.383 4.933 4.550 -0.000 0.000 0.268 245 Y C 1.832 177.802 175.900 0.116 0.000 1.142 245 Y CA -0.827 57.273 58.100 -0.001 0.000 1.193 245 Y CB 0.384 38.839 38.460 -0.009 0.000 1.176 245 Y HN 0.453 nan 8.280 nan 0.000 0.542 246 G N 0.893 109.768 108.800 0.126 0.000 2.440 246 G HA2 -0.280 3.679 3.960 -0.000 0.000 0.218 246 G HA3 -0.280 3.679 3.960 -0.000 0.000 0.218 246 G C 1.131 176.094 174.900 0.105 0.000 1.154 246 G CA 1.315 46.470 45.100 0.093 0.000 0.767 246 G HN 0.494 nan 8.290 nan 0.000 0.552 247 D N 0.407 120.896 120.400 0.148 0.000 2.519 247 D HA 0.368 5.008 4.640 -0.000 0.000 0.238 247 D C 0.845 177.189 176.300 0.073 0.000 1.192 247 D CA 0.494 54.556 54.000 0.104 0.000 0.835 247 D CB -0.048 40.816 40.800 0.105 0.000 0.975 247 D HN 0.368 nan 8.370 nan 0.000 0.490 248 G N -1.220 107.639 108.800 0.098 0.000 2.428 248 G HA2 0.358 4.318 3.960 -0.000 0.000 0.305 248 G HA3 0.358 4.318 3.960 -0.000 0.000 0.305 248 G C -1.764 173.139 174.900 0.005 0.000 1.260 248 G CA -0.636 44.451 45.100 -0.023 0.000 0.853 248 G HN 0.051 nan 8.290 nan 0.000 0.480 249 V N 1.685 121.548 119.914 -0.086 0.000 2.394 249 V HA 0.536 4.656 4.120 -0.000 0.000 0.282 249 V C 0.980 176.924 176.094 -0.249 0.000 1.031 249 V CA -0.149 61.959 62.300 -0.320 0.000 0.881 249 V CB 1.068 32.373 31.823 -0.863 0.000 0.982 249 V HN 1.164 nan 8.190 nan 0.000 0.451 250 S N 5.664 121.214 115.700 -0.250 0.000 2.568 250 S HA 0.178 4.648 4.470 -0.000 0.000 0.282 250 S C -1.626 172.704 174.600 -0.450 0.000 1.338 250 S CA -0.596 57.386 58.200 -0.365 0.000 1.045 250 S CB 0.941 64.012 63.200 -0.215 0.000 0.873 250 S HN 0.552 nan 8.310 nan 0.000 0.516 251 P HA -0.114 nan 4.420 nan 0.000 0.216 251 P C 1.578 178.967 177.300 0.149 0.000 1.153 251 P CA 1.242 64.234 63.100 -0.180 0.000 0.858 251 P CB 0.010 31.429 31.700 -0.468 0.000 0.789 252 M N -1.292 118.406 119.600 0.164 0.000 2.549 252 M HA -0.034 4.446 4.480 -0.000 0.000 0.260 252 M C 1.754 178.135 176.300 0.136 0.000 1.076 252 M CA 1.371 56.856 55.300 0.308 0.000 1.090 252 M CB -1.323 31.385 32.600 0.180 0.000 1.418 252 M HN -0.087 nan 8.290 nan 0.000 0.486 253 S N -0.936 114.712 115.700 -0.087 0.000 2.414 253 S HA -0.064 4.406 4.470 -0.000 0.000 0.227 253 S C 0.077 174.579 174.600 -0.163 0.000 1.022 253 S CA 0.054 58.138 58.200 -0.193 0.000 0.958 253 S CB -0.168 62.813 63.200 -0.366 0.000 0.797 253 S HN 0.480 nan 8.310 nan 0.000 0.493 254 W N 2.122 123.432 121.300 0.016 0.000 2.314 254 W HA 0.149 4.809 4.660 -0.000 0.000 0.339 254 W C 1.113 177.442 176.519 -0.317 0.000 1.293 254 W CA -0.408 56.865 57.345 -0.119 0.000 1.288 254 W CB 0.010 29.456 29.460 -0.024 0.000 1.186 254 W HN 0.204 nan 8.180 nan 0.000 0.566 255 I N 1.255 121.655 120.570 -0.284 0.000 4.050 255 I HA 0.667 4.837 4.170 -0.000 0.000 0.327 255 I C 0.649 176.139 176.117 -1.044 0.000 1.473 255 I CA -0.297 60.696 61.300 -0.512 0.000 1.124 255 I CB -0.095 37.773 38.000 -0.219 0.000 1.129 255 I HN 0.412 nan 8.210 nan 0.000 0.428 256 G N 0.108 108.014 108.800 -1.489 0.000 2.387 256 G HA2 0.245 4.205 3.960 -0.000 0.000 0.294 256 G HA3 0.245 4.205 3.960 -0.000 0.000 0.294 256 G C -0.310 174.193 174.900 -0.661 0.000 1.509 256 G CA -0.093 44.144 45.100 -1.439 0.000 0.806 256 G HN -0.123 nan 8.290 nan 0.000 0.546 257 S N -0.652 114.991 115.700 -0.095 0.000 2.414 257 S HA -0.050 4.420 4.470 -0.000 0.000 0.227 257 S C 2.656 177.243 174.600 -0.022 0.000 1.022 257 S CA 1.162 59.438 58.200 0.127 0.000 0.958 257 S CB -0.079 63.313 63.200 0.320 0.000 0.797 257 S HN 0.555 nan 8.310 nan 0.000 0.493 258 V N 2.539 122.437 119.914 -0.026 0.000 2.233 258 V HA -0.302 3.818 4.120 -0.000 0.000 0.252 258 V C 2.324 178.415 176.094 -0.004 0.000 1.063 258 V CA 2.398 64.694 62.300 -0.007 0.000 1.032 258 V CB -0.774 31.042 31.823 -0.012 0.000 0.645 258 V HN 0.421 nan 8.190 nan 0.000 0.446 259 D N -0.643 119.753 120.400 -0.007 0.000 2.182 259 D HA -0.148 4.492 4.640 -0.000 0.000 0.201 259 D C 1.904 178.207 176.300 0.005 0.000 0.986 259 D CA 1.303 55.338 54.000 0.058 0.000 0.847 259 D CB -0.157 40.744 40.800 0.167 0.000 0.942 259 D HN 0.503 nan 8.370 nan 0.000 0.467 260 I N -0.436 120.012 120.570 -0.203 0.000 2.163 260 I HA -0.219 3.951 4.170 -0.000 0.000 0.240 260 I C 2.044 178.102 176.117 -0.098 0.000 1.081 260 I CA 0.301 61.376 61.300 -0.375 0.000 1.353 260 I CB -0.181 37.437 38.000 -0.636 0.000 1.054 260 I HN 0.087 nan 8.210 nan 0.000 0.407 261 L N 0.840 122.033 121.223 -0.051 0.000 2.081 261 L HA -0.213 4.127 4.340 -0.000 0.000 0.212 261 L C 2.609 179.597 176.870 0.195 0.000 1.080 261 L CA 1.817 56.696 54.840 0.065 0.000 0.754 261 L CB -1.179 40.908 42.059 0.047 0.000 0.893 261 L HN 0.204 nan 8.230 nan 0.000 0.433 262 R N -1.117 119.461 120.500 0.130 0.000 2.062 262 R HA -0.066 4.274 4.340 -0.000 0.000 0.229 262 R C 2.261 178.664 176.300 0.172 0.000 1.128 262 R CA 0.907 57.088 56.100 0.135 0.000 0.960 262 R CB -0.230 30.127 30.300 0.095 0.000 0.855 262 R HN 0.309 nan 8.270 nan 0.000 0.432 263 R N -0.604 120.013 120.500 0.196 0.000 2.152 263 R HA -0.184 4.156 4.340 -0.000 0.000 0.232 263 R C 1.800 178.308 176.300 0.348 0.000 1.117 263 R CA 1.356 57.626 56.100 0.284 0.000 0.981 263 R CB -0.210 30.226 30.300 0.227 0.000 0.870 263 R HN 0.343 nan 8.270 nan 0.000 0.451 264 W N 2.024 123.366 121.300 0.071 0.000 2.413 264 W HA -0.140 4.520 4.660 -0.000 0.000 0.315 264 W C 2.172 178.728 176.519 0.062 0.000 1.186 264 W CA 1.221 58.595 57.345 0.048 0.000 1.326 264 W CB -0.197 29.260 29.460 -0.004 0.000 1.153 264 W HN -0.160 nan 8.180 nan 0.000 0.489 265 K N 0.320 120.741 120.400 0.036 0.000 2.057 265 K HA -0.174 4.146 4.320 -0.000 0.000 0.206 265 K C 1.436 177.934 176.600 -0.170 0.000 1.050 265 K CA 1.925 58.081 56.287 -0.218 0.000 0.935 265 K CB -0.709 31.764 32.500 -0.045 0.000 0.715 265 K HN 0.282 nan 8.250 nan 0.000 0.439 266 N N -0.386 118.266 118.700 -0.079 0.000 2.609 266 N HA -0.086 4.654 4.740 -0.000 0.000 0.190 266 N C -0.187 175.074 175.510 -0.414 0.000 1.157 266 N CA 0.293 53.224 53.050 -0.199 0.000 0.918 266 N CB 0.068 38.447 38.487 -0.180 0.000 0.978 266 N HN 0.301 nan 8.380 nan 0.000 0.448 267 H N -1.232 117.778 119.070 -0.100 0.000 2.637 267 H HA 0.265 4.821 4.556 -0.000 0.000 0.245 267 H C 0.640 175.880 175.328 -0.148 0.000 1.190 267 H CA -0.073 55.922 56.048 -0.089 0.000 0.934 267 H CB 0.674 30.411 29.762 -0.042 0.000 1.950 267 H HN 0.112 nan 8.280 nan 0.000 0.614 268 G N 0.508 109.216 108.800 -0.153 0.000 2.273 268 G HA2 -0.347 3.613 3.960 -0.000 0.000 0.280 268 G HA3 -0.347 3.613 3.960 -0.000 0.000 0.280 268 G C 0.596 175.300 174.900 -0.327 0.000 1.047 268 G CA 0.102 45.078 45.100 -0.208 0.000 0.869 268 G HN 0.620 nan 8.290 nan 0.000 0.502 269 C N -1.284 117.632 119.300 -0.640 0.000 4.300 269 C HA -0.136 4.324 4.460 -0.000 0.000 0.304 269 C C 0.885 175.676 174.990 -0.332 0.000 1.367 269 C CA 1.293 59.652 59.018 -1.098 0.000 2.032 269 C CB -2.250 24.912 27.740 -0.963 0.000 1.285 269 C HN 0.831 nan 8.230 nan 0.000 0.737 270 Q N -0.631 119.098 119.800 -0.119 0.000 2.245 270 Q HA 0.465 4.805 4.340 -0.000 0.000 0.256 270 Q C 0.357 176.491 176.000 0.224 0.000 0.942 270 Q CA -0.656 55.194 55.803 0.078 0.000 0.896 270 Q CB 1.130 29.892 28.738 0.039 0.000 1.272 270 Q HN 0.516 nan 8.270 nan 0.000 0.442 271 R N 0.683 121.305 120.500 0.203 0.000 2.494 271 R HA 0.002 4.342 4.340 -0.000 0.000 0.291 271 R C -0.486 175.874 176.300 0.099 0.000 0.953 271 R CA 0.007 56.207 56.100 0.168 0.000 1.098 271 R CB -0.007 30.356 30.300 0.105 0.000 0.911 271 R HN 0.295 nan 8.270 nan 0.000 0.407 272 V N 4.283 124.253 119.914 0.093 0.000 2.530 272 V HA 0.066 4.186 4.120 -0.000 0.000 0.282 272 V C 0.320 176.410 176.094 -0.007 0.000 1.048 272 V CA -0.249 62.075 62.300 0.041 0.000 0.997 272 V CB 1.290 33.138 31.823 0.041 0.000 0.987 272 V HN 0.557 nan 8.190 nan 0.000 0.477 273 K N 4.484 124.792 120.400 -0.152 0.000 2.285 273 K HA 0.551 4.871 4.320 -0.000 0.000 0.286 273 K C -1.188 175.345 176.600 -0.112 0.000 1.072 273 K CA 0.207 56.147 56.287 -0.578 0.000 0.913 273 K CB 0.406 32.236 32.500 -1.116 0.000 1.067 273 K HN 0.554 nan 8.250 nan 0.000 0.479 274 Y N -0.312 120.149 120.300 0.268 0.000 2.644 274 Y HA 0.679 5.229 4.550 -0.000 0.000 0.338 274 Y C 0.588 176.558 175.900 0.117 0.000 1.119 274 Y CA -1.074 57.101 58.100 0.126 0.000 1.060 274 Y CB 2.403 40.870 38.460 0.011 0.000 1.294 274 Y HN 0.584 nan 8.280 nan 0.000 0.472 275 G N -0.006 108.849 108.800 0.092 0.000 2.730 275 G HA2 0.737 4.697 3.960 -0.000 0.000 0.289 275 G HA3 0.737 4.697 3.960 -0.000 0.000 0.289 275 G C -1.727 172.663 174.900 -0.850 0.000 1.341 275 G CA -0.663 44.260 45.100 -0.294 0.000 0.932 275 G HN 0.466 nan 8.290 nan 0.000 0.481 276 Q N -1.799 117.176 119.800 -1.374 0.000 2.857 276 Q HA 0.268 4.608 4.340 -0.000 0.000 0.319 276 Q C 1.617 176.785 176.000 -1.386 0.000 0.963 276 Q CA -0.449 54.584 55.803 -1.283 0.000 0.770 276 Q CB 1.913 30.083 28.738 -0.947 0.000 1.492 276 Q HN 0.828 nan 8.270 nan 0.000 0.493 277 C N -0.566 118.570 119.300 -0.273 0.000 2.393 277 C HA -0.144 4.316 4.460 -0.000 0.000 0.276 277 C C 2.157 177.080 174.990 -0.112 0.000 1.215 277 C CA 1.494 60.547 59.018 0.058 0.000 1.743 277 C CB -1.663 26.515 27.740 0.730 0.000 2.044 277 C HN 1.000 nan 8.230 nan 0.000 0.464 278 W N 2.183 123.439 121.300 -0.073 0.000 2.392 278 W HA 0.090 4.750 4.660 -0.000 0.000 0.279 278 W C 1.788 178.108 176.519 -0.330 0.000 1.225 278 W CA 1.332 58.568 57.345 -0.183 0.000 1.233 278 W CB -1.118 28.227 29.460 -0.190 0.000 1.122 278 W HN 0.215 nan 8.180 nan 0.000 0.561 279 V N 1.374 120.558 119.914 -1.216 0.000 2.307 279 V HA -0.296 3.824 4.120 -0.000 0.000 0.245 279 V C 2.359 178.236 176.094 -0.362 0.000 1.045 279 V CA 1.843 63.679 62.300 -0.774 0.000 1.024 279 V CB -1.246 30.113 31.823 -0.772 0.000 0.651 279 V HN 0.077 nan 8.190 nan 0.000 0.449 280 F N 1.418 121.208 119.950 -0.267 0.000 2.065 280 F HA -0.199 4.328 4.527 -0.000 0.000 0.298 280 F C 2.570 178.295 175.800 -0.125 0.000 1.112 280 F CA 1.238 59.145 58.000 -0.154 0.000 1.212 280 F CB -1.734 37.232 39.000 -0.057 0.000 0.975 280 F HN 0.133 nan 8.300 nan 0.000 0.476 281 A N -0.022 122.847 122.820 0.082 0.000 1.933 281 A HA -0.031 4.289 4.320 -0.000 0.000 0.218 281 A C 2.470 180.026 177.584 -0.047 0.000 1.175 281 A CA 1.986 54.038 52.037 0.025 0.000 0.628 281 A CB -1.291 17.720 19.000 0.019 0.000 0.814 281 A HN 0.324 nan 8.150 nan 0.000 0.444 282 A N -0.234 122.489 122.820 -0.162 0.000 1.877 282 A HA -0.017 4.303 4.320 -0.000 0.000 0.216 282 A C 2.396 180.023 177.584 0.072 0.000 1.186 282 A CA 2.148 54.066 52.037 -0.199 0.000 0.620 282 A CB -1.200 17.225 19.000 -0.958 0.000 0.822 282 A HN 1.232 nan 8.150 nan 0.000 0.443 283 V N -1.724 118.216 119.914 0.044 0.000 2.548 283 V HA 0.026 4.146 4.120 -0.000 0.000 0.249 283 V C 2.432 178.532 176.094 0.010 0.000 1.055 283 V CA 1.939 64.280 62.300 0.068 0.000 1.065 283 V CB -0.988 30.821 31.823 -0.024 0.000 0.681 283 V HN 0.549 nan 8.190 nan 0.000 0.462 284 A N -0.391 122.419 122.820 -0.017 0.000 1.902 284 A HA -0.259 4.061 4.320 -0.000 0.000 0.217 284 A C 2.513 180.072 177.584 -0.043 0.000 1.181 284 A CA 2.111 54.123 52.037 -0.041 0.000 0.623 284 A CB -1.466 17.515 19.000 -0.032 0.000 0.818 284 A HN 0.783 nan 8.150 nan 0.000 0.443 285 C N -1.191 118.077 119.300 -0.054 0.000 2.432 285 C HA -0.091 4.369 4.460 -0.000 0.000 0.277 285 C C 2.926 177.822 174.990 -0.157 0.000 1.249 285 C CA 2.010 60.934 59.018 -0.157 0.000 1.725 285 C CB -1.525 26.023 27.740 -0.320 0.000 2.028 285 C HN 0.602 nan 8.230 nan 0.000 0.477 286 T N 0.563 115.107 114.554 -0.017 0.000 2.635 286 T HA -0.173 4.177 4.350 -0.000 0.000 0.267 286 T C 1.781 176.483 174.700 0.004 0.000 1.040 286 T CA 2.150 64.277 62.100 0.044 0.000 1.156 286 T CB -0.410 68.573 68.868 0.193 0.000 0.863 286 T HN 0.451 nan 8.240 nan 0.000 0.430 287 V N 1.535 121.452 119.914 0.005 0.000 2.255 287 V HA -0.159 3.961 4.120 -0.000 0.000 0.247 287 V C 2.519 178.630 176.094 0.029 0.000 1.051 287 V CA 1.693 64.000 62.300 0.012 0.000 1.018 287 V CB -0.743 31.065 31.823 -0.024 0.000 0.641 287 V HN 0.446 nan 8.190 nan 0.000 0.445 288 L N -0.766 120.457 121.223 -0.001 0.000 2.127 288 L HA -0.180 4.160 4.340 -0.000 0.000 0.211 288 L C 2.738 179.627 176.870 0.032 0.000 1.089 288 L CA 1.548 56.392 54.840 0.007 0.000 0.757 288 L CB -0.570 41.472 42.059 -0.030 0.000 0.899 288 L HN 0.247 nan 8.230 nan 0.000 0.434 289 R N -1.227 119.272 120.500 -0.002 0.000 2.093 289 R HA -0.118 4.222 4.340 -0.000 0.000 0.224 289 R C 2.486 178.855 176.300 0.115 0.000 1.101 289 R CA 1.301 57.409 56.100 0.014 0.000 0.979 289 R CB -0.627 29.602 30.300 -0.119 0.000 0.877 289 R HN 0.423 nan 8.270 nan 0.000 0.441 290 C N 0.903 120.265 119.300 0.104 0.000 2.413 290 C HA -0.079 4.381 4.460 -0.000 0.000 0.277 290 C C 2.232 177.404 174.990 0.303 0.000 1.228 290 C CA 0.657 59.814 59.018 0.231 0.000 1.731 290 C CB -0.828 27.014 27.740 0.170 0.000 2.042 290 C HN 0.344 nan 8.230 nan 0.000 0.468 291 L N 1.127 122.498 121.223 0.247 0.000 2.549 291 L HA 0.191 4.531 4.340 -0.000 0.000 0.229 291 L C 2.137 179.261 176.870 0.424 0.000 1.158 291 L CA 1.908 56.940 54.840 0.320 0.000 0.842 291 L CB -1.291 40.956 42.059 0.313 0.000 0.952 291 L HN 0.703 nan 8.230 nan 0.000 0.452 292 G N -1.060 107.945 108.800 0.342 0.000 2.176 292 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.232 292 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.232 292 G C 0.482 175.508 174.900 0.211 0.000 0.986 292 G CA -0.025 45.293 45.100 0.364 0.000 0.643 292 G HN 0.277 nan 8.290 nan 0.000 0.522 293 I N 2.188 122.782 120.570 0.041 0.000 2.337 293 I HA 0.237 4.407 4.170 -0.000 0.000 0.291 293 I C -2.012 174.109 176.117 0.006 0.000 1.046 293 I CA -2.097 59.136 61.300 -0.111 0.000 1.324 293 I CB 1.227 39.070 38.000 -0.261 0.000 1.409 293 I HN -0.145 nan 8.210 nan 0.000 0.494 294 P HA 0.048 nan 4.420 nan 0.000 0.262 294 P C -0.837 176.558 177.300 0.158 0.000 1.199 294 P CA 0.475 63.632 63.100 0.095 0.000 0.763 294 P CB 0.476 32.191 31.700 0.024 0.000 0.790 295 T N 3.793 118.431 114.554 0.140 0.000 2.916 295 T HA 0.640 4.990 4.350 -0.000 0.000 0.305 295 T C -0.654 174.031 174.700 -0.024 0.000 1.119 295 T CA -0.968 61.186 62.100 0.090 0.000 1.008 295 T CB 1.688 70.551 68.868 -0.008 0.000 1.129 295 T HN 0.394 nan 8.240 nan 0.000 0.480 296 R N -0.054 120.363 120.500 -0.139 0.000 2.651 296 R HA 0.801 5.141 4.340 -0.000 0.000 0.278 296 R C -1.211 174.971 176.300 -0.197 0.000 1.010 296 R CA -0.962 55.024 56.100 -0.190 0.000 0.896 296 R CB 1.512 31.639 30.300 -0.289 0.000 1.211 296 R HN 0.471 nan 8.270 nan 0.000 0.456 297 V N 2.748 122.577 119.914 -0.140 0.000 2.546 297 V HA 0.495 4.615 4.120 -0.000 0.000 0.284 297 V C -0.662 175.320 176.094 -0.187 0.000 1.050 297 V CA -0.195 62.023 62.300 -0.136 0.000 0.981 297 V CB 1.446 33.223 31.823 -0.075 0.000 0.990 297 V HN 0.617 nan 8.190 nan 0.000 0.474 298 V N 5.293 125.007 119.914 -0.334 0.000 2.715 298 V HA 0.634 4.754 4.120 -0.000 0.000 0.310 298 V C 0.193 175.905 176.094 -0.637 0.000 1.054 298 V CA -0.334 61.673 62.300 -0.489 0.000 0.928 298 V CB 2.590 34.009 31.823 -0.673 0.000 1.007 298 V HN 1.065 nan 8.190 nan 0.000 0.437 299 T N 3.239 117.453 114.554 -0.567 0.000 2.876 299 T HA 0.448 4.798 4.350 -0.000 0.000 0.289 299 T C -0.778 173.510 174.700 -0.687 0.000 1.014 299 T CA -0.567 61.169 62.100 -0.608 0.000 0.986 299 T CB 1.393 69.943 68.868 -0.530 0.000 1.021 299 T HN 0.656 nan 8.240 nan 0.000 0.458 300 N N 1.283 119.589 118.700 -0.657 0.000 2.354 300 N HA 0.429 5.169 4.740 -0.000 0.000 0.287 300 N C -1.776 173.597 175.510 -0.227 0.000 1.016 300 N CA -0.568 52.234 53.050 -0.414 0.000 0.871 300 N CB 0.733 39.005 38.487 -0.357 0.000 1.299 300 N HN 0.469 nan 8.380 nan 0.000 0.482 301 Y N 1.863 122.193 120.300 0.050 0.000 2.352 301 Y HA 0.343 4.893 4.550 -0.000 0.000 0.326 301 Y C 0.521 176.512 175.900 0.152 0.000 1.166 301 Y CA -0.553 57.637 58.100 0.151 0.000 1.182 301 Y CB 0.960 39.475 38.460 0.093 0.000 1.216 301 Y HN 0.554 nan 8.280 nan 0.000 0.474 302 N N 0.756 119.663 118.700 0.344 0.000 2.671 302 N HA -0.213 4.527 4.740 -0.000 0.000 0.261 302 N C -0.886 174.754 175.510 0.217 0.000 1.053 302 N CA 0.534 53.735 53.050 0.251 0.000 0.732 302 N CB -0.994 37.610 38.487 0.196 0.000 0.887 302 N HN 0.444 nan 8.380 nan 0.000 0.546 303 S N -0.223 115.629 115.700 0.254 0.000 2.452 303 S HA 0.627 5.097 4.470 -0.000 0.000 0.284 303 S C 0.543 175.230 174.600 0.145 0.000 1.171 303 S CA -0.246 58.085 58.200 0.217 0.000 1.064 303 S CB 0.650 64.031 63.200 0.301 0.000 0.967 303 S HN 0.434 nan 8.310 nan 0.000 0.484 304 A N 4.683 127.557 122.820 0.090 0.000 3.037 304 A HA 0.276 4.596 4.320 -0.000 0.000 0.272 304 A C -0.015 177.544 177.584 -0.041 0.000 1.723 304 A CA -0.138 51.923 52.037 0.039 0.000 1.413 304 A CB -0.767 18.243 19.000 0.016 0.000 1.112 304 A HN 0.939 nan 8.150 nan 0.000 0.606 305 H N 0.429 119.297 119.070 -0.338 0.000 2.482 305 H HA 0.354 4.910 4.556 -0.000 0.000 0.344 305 H C 0.416 175.472 175.328 -0.454 0.000 1.151 305 H CA 0.249 55.950 56.048 -0.578 0.000 1.300 305 H CB 0.746 29.683 29.762 -1.374 0.000 1.494 305 H HN 0.575 nan 8.280 nan 0.000 0.542 306 D N 1.255 121.144 120.400 -0.850 0.000 3.012 306 D HA -0.190 4.450 4.640 -0.000 0.000 0.222 306 D C -0.673 175.524 176.300 -0.173 0.000 1.167 306 D CA 0.758 54.473 54.000 -0.475 0.000 0.854 306 D CB -0.357 40.251 40.800 -0.320 0.000 1.107 306 D HN 0.575 nan 8.370 nan 0.000 0.421 307 Q N 0.091 119.813 119.800 -0.131 0.000 2.235 307 Q HA 0.234 4.574 4.340 -0.000 0.000 0.256 307 Q C 0.727 176.694 176.000 -0.056 0.000 0.951 307 Q CA -0.471 55.293 55.803 -0.066 0.000 0.890 307 Q CB 0.710 29.410 28.738 -0.064 0.000 1.279 307 Q HN 0.042 nan 8.270 nan 0.000 0.444 308 N N 1.529 120.202 118.700 -0.044 0.000 3.167 308 N HA -0.080 4.660 4.740 -0.000 0.000 0.318 308 N C -0.098 175.261 175.510 -0.252 0.000 1.268 308 N CA 0.606 53.644 53.050 -0.021 0.000 1.197 308 N CB -0.266 38.224 38.487 0.004 0.000 1.464 308 N HN 0.746 nan 8.380 nan 0.000 0.555 309 S N -0.650 114.827 115.700 -0.372 0.000 3.270 309 S HA -0.283 4.187 4.470 -0.000 0.000 0.293 309 S C 0.150 174.563 174.600 -0.313 0.000 1.278 309 S CA 0.867 58.723 58.200 -0.573 0.000 1.038 309 S CB -2.356 60.104 63.200 -1.233 0.000 1.218 309 S HN 0.652 nan 8.310 nan 0.000 0.659 310 N N 1.302 119.880 118.700 -0.203 0.000 2.454 310 N HA 0.322 5.062 4.740 -0.000 0.000 0.260 310 N C 0.873 176.309 175.510 -0.125 0.000 1.218 310 N CA 0.248 53.216 53.050 -0.137 0.000 0.904 310 N CB 0.194 38.624 38.487 -0.094 0.000 1.065 310 N HN 0.531 nan 8.380 nan 0.000 0.462 311 L N 2.894 124.050 121.223 -0.113 0.000 2.607 311 L HA 0.244 4.584 4.340 -0.000 0.000 0.228 311 L C 0.166 177.027 176.870 -0.016 0.000 1.123 311 L CA 0.060 54.824 54.840 -0.126 0.000 0.890 311 L CB 0.041 41.961 42.059 -0.232 0.000 1.103 311 L HN 0.449 nan 8.230 nan 0.000 0.468 312 L N 1.533 122.750 121.223 -0.011 0.000 2.485 312 L HA 0.479 4.819 4.340 -0.000 0.000 0.260 312 L C -1.008 175.847 176.870 -0.025 0.000 0.998 312 L CA -0.208 54.640 54.840 0.013 0.000 0.883 312 L CB 1.466 43.550 42.059 0.041 0.000 1.196 312 L HN -0.021 nan 8.230 nan 0.000 0.443 313 I N 3.920 124.456 120.570 -0.057 0.000 2.331 313 I HA 0.319 4.489 4.170 -0.000 0.000 0.292 313 I C 0.061 176.030 176.117 -0.247 0.000 0.998 313 I CA -0.266 60.938 61.300 -0.161 0.000 1.267 313 I CB 1.602 39.508 38.000 -0.156 0.000 1.386 313 I HN 0.493 nan 8.210 nan 0.000 0.476 314 E N 5.855 125.882 120.200 -0.287 0.000 2.199 314 E HA 0.503 4.853 4.350 -0.000 0.000 0.269 314 E C -1.595 174.747 176.600 -0.430 0.000 0.899 314 E CA -0.732 55.530 56.400 -0.230 0.000 0.772 314 E CB 2.177 31.923 29.700 0.076 0.000 1.155 314 E HN 0.387 nan 8.360 nan 0.000 0.408 315 Y N 0.946 121.190 120.300 -0.094 0.000 2.509 315 Y HA 0.481 5.031 4.550 -0.000 0.000 0.341 315 Y C -0.632 175.085 175.900 -0.305 0.000 1.038 315 Y CA -1.032 57.039 58.100 -0.048 0.000 1.089 315 Y CB 1.381 39.842 38.460 0.002 0.000 1.241 315 Y HN 0.412 nan 8.280 nan 0.000 0.468 316 F N 1.752 121.884 119.950 0.303 0.000 2.460 316 F HA 0.612 5.139 4.527 -0.000 0.000 0.341 316 F C -0.161 175.735 175.800 0.159 0.000 1.130 316 F CA -1.025 57.101 58.000 0.211 0.000 0.962 316 F CB 1.420 40.477 39.000 0.095 0.000 1.171 316 F HN 0.257 nan 8.300 nan 0.000 0.436 317 R N 1.562 122.194 120.500 0.220 0.000 2.720 317 R HA 0.460 4.800 4.340 -0.000 0.000 0.272 317 R C -0.104 176.276 176.300 0.133 0.000 0.991 317 R CA -1.114 55.076 56.100 0.150 0.000 1.010 317 R CB 1.243 31.597 30.300 0.090 0.000 1.141 317 R HN 0.680 nan 8.270 nan 0.000 0.494 318 N N -0.071 118.704 118.700 0.125 0.000 2.374 318 N HA -0.072 4.668 4.740 -0.000 0.000 0.284 318 N C 0.397 175.979 175.510 0.120 0.000 1.280 318 N CA -0.429 52.691 53.050 0.116 0.000 0.963 318 N CB 0.139 38.695 38.487 0.115 0.000 1.141 318 N HN 0.707 nan 8.380 nan 0.000 0.565 319 E N -2.154 118.127 120.200 0.136 0.000 2.515 319 E HA -0.110 4.240 4.350 -0.000 0.000 0.201 319 E C 0.144 176.877 176.600 0.221 0.000 1.071 319 E CA 0.640 57.138 56.400 0.162 0.000 0.880 319 E CB -0.468 29.325 29.700 0.154 0.000 0.828 319 E HN 0.528 nan 8.360 nan 0.000 0.540 320 F N 0.372 120.356 119.950 0.055 0.000 2.654 320 F HA 0.387 4.914 4.527 -0.000 0.000 0.303 320 F C 1.342 177.176 175.800 0.056 0.000 1.099 320 F CA 0.349 58.381 58.000 0.054 0.000 1.270 320 F CB 1.086 40.111 39.000 0.041 0.000 1.024 320 F HN 0.155 nan 8.300 nan 0.000 0.548 321 G N 1.229 110.098 108.800 0.114 0.000 2.168 321 G HA2 -0.367 3.593 3.960 -0.000 0.000 0.263 321 G HA3 -0.367 3.593 3.960 -0.000 0.000 0.263 321 G C 0.259 175.212 174.900 0.088 0.000 0.977 321 G CA 0.420 45.557 45.100 0.061 0.000 0.659 321 G HN 0.409 nan 8.290 nan 0.000 0.533 322 E N 0.675 120.965 120.200 0.150 0.000 2.166 322 E HA 0.475 4.825 4.350 -0.000 0.000 0.279 322 E C 1.147 177.807 176.600 0.100 0.000 1.095 322 E CA -0.660 55.816 56.400 0.126 0.000 0.888 322 E CB -0.040 29.750 29.700 0.150 0.000 1.041 322 E HN 0.367 nan 8.360 nan 0.000 0.414 323 I N 4.691 125.303 120.570 0.069 0.000 2.906 323 I HA -0.150 4.020 4.170 -0.000 0.000 0.301 323 I C 0.542 176.729 176.117 0.117 0.000 1.221 323 I CA 0.448 61.803 61.300 0.093 0.000 1.435 323 I CB 0.402 38.415 38.000 0.022 0.000 1.345 323 I HN 0.416 nan 8.210 nan 0.000 0.558 324 Q N 6.441 126.339 119.800 0.163 0.000 2.348 324 Q HA 0.199 4.539 4.340 -0.000 0.000 0.251 324 Q C 0.492 176.569 176.000 0.129 0.000 1.113 324 Q CA -0.127 55.756 55.803 0.134 0.000 0.902 324 Q CB 0.881 29.701 28.738 0.136 0.000 1.333 324 Q HN 0.786 nan 8.270 nan 0.000 0.457 325 G N 3.337 112.192 108.800 0.091 0.000 2.707 325 G HA2 0.143 4.103 3.960 -0.000 0.000 0.231 325 G HA3 0.143 4.103 3.960 -0.000 0.000 0.231 325 G C 0.295 175.236 174.900 0.069 0.000 1.246 325 G CA 0.530 45.676 45.100 0.077 0.000 0.852 325 G HN 0.805 nan 8.290 nan 0.000 0.584 326 D N -0.757 119.681 120.400 0.064 0.000 5.300 326 D HA -0.085 4.555 4.640 -0.000 0.000 0.374 326 D C 0.611 176.941 176.300 0.050 0.000 1.838 326 D CA -0.453 53.576 54.000 0.048 0.000 1.058 326 D CB -0.586 40.242 40.800 0.046 0.000 1.481 326 D HN 0.327 nan 8.370 nan 0.000 0.678 327 K N 0.291 120.719 120.400 0.047 0.000 2.393 327 K HA 0.370 4.690 4.320 -0.000 0.000 0.193 327 K C 0.527 177.165 176.600 0.063 0.000 1.026 327 K CA 0.073 56.385 56.287 0.042 0.000 1.064 327 K CB 0.293 32.807 32.500 0.023 0.000 0.833 327 K HN 0.210 nan 8.250 nan 0.000 0.521 328 S N 1.636 117.396 115.700 0.101 0.000 2.533 328 S HA 0.034 4.504 4.470 -0.000 0.000 0.282 328 S C -0.164 174.547 174.600 0.184 0.000 1.304 328 S CA -0.360 57.927 58.200 0.145 0.000 1.063 328 S CB 0.482 63.817 63.200 0.226 0.000 0.881 328 S HN 0.195 nan 8.310 nan 0.000 0.493 329 E N 3.570 123.879 120.200 0.182 0.000 2.249 329 E HA 0.267 4.617 4.350 -0.000 0.000 0.280 329 E C -0.269 176.514 176.600 0.305 0.000 1.016 329 E CA -0.517 55.999 56.400 0.194 0.000 0.830 329 E CB 0.459 30.247 29.700 0.146 0.000 1.081 329 E HN 0.390 nan 8.360 nan 0.000 0.395 330 M N 3.364 123.100 119.600 0.227 0.000 2.228 330 M HA 0.220 4.700 4.480 -0.000 0.000 0.326 330 M C 0.134 176.604 176.300 0.284 0.000 1.122 330 M CA -0.648 54.756 55.300 0.173 0.000 1.161 330 M CB 0.308 32.915 32.600 0.012 0.000 1.437 330 M HN 0.510 nan 8.290 nan 0.000 0.465 331 I N 1.424 122.134 120.570 0.233 0.000 2.648 331 I HA -0.050 4.120 4.170 -0.000 0.000 0.284 331 I C -0.274 176.050 176.117 0.346 0.000 1.153 331 I CA -0.233 61.237 61.300 0.283 0.000 1.426 331 I CB 0.015 38.137 38.000 0.202 0.000 1.381 331 I HN 0.532 nan 8.210 nan 0.000 0.571 332 W N 5.630 126.947 121.300 0.028 0.000 2.238 332 W HA 0.217 4.877 4.660 -0.000 0.000 0.321 332 W C 1.466 178.013 176.519 0.047 0.000 1.293 332 W CA -0.465 56.858 57.345 -0.037 0.000 1.204 332 W CB -0.301 29.109 29.460 -0.083 0.000 1.167 332 W HN 0.472 nan 8.180 nan 0.000 0.553 333 N N 1.631 120.444 118.700 0.190 0.000 2.149 333 N HA -0.110 4.630 4.740 -0.000 0.000 0.188 333 N C -0.275 175.529 175.510 0.490 0.000 1.019 333 N CA 1.609 54.831 53.050 0.287 0.000 0.857 333 N CB -0.239 38.395 38.487 0.245 0.000 0.997 333 N HN 0.320 nan 8.380 nan 0.000 0.426 334 F N -3.477 116.706 119.950 0.387 0.000 2.725 334 F HA 0.553 5.080 4.527 -0.000 0.000 0.309 334 F C -1.289 174.820 175.800 0.514 0.000 1.132 334 F CA -1.389 56.747 58.000 0.226 0.000 0.957 334 F CB 0.946 39.862 39.000 -0.139 0.000 1.286 334 F HN -0.143 nan 8.300 nan 0.000 0.440 335 H N 0.947 120.292 119.070 0.458 0.000 2.894 335 H HA 0.772 5.328 4.556 -0.000 0.000 0.367 335 H C -1.766 173.713 175.328 0.253 0.000 1.144 335 H CA -1.259 55.043 56.048 0.423 0.000 1.180 335 H CB 1.936 31.775 29.762 0.128 0.000 1.758 335 H HN 1.111 nan 8.280 nan 0.000 0.541 336 C N 4.165 123.405 119.300 -0.101 0.000 2.529 336 C HA 0.782 5.242 4.460 -0.000 0.000 0.329 336 C C -0.905 173.955 174.990 -0.217 0.000 1.194 336 C CA -0.421 58.445 59.018 -0.254 0.000 1.779 336 C CB -0.460 27.302 27.740 0.036 0.000 2.322 336 C HN 0.894 nan 8.230 nan 0.000 0.500 337 W N 0.892 122.031 121.300 -0.267 0.000 2.874 337 W HA 0.749 5.409 4.660 -0.000 0.000 0.403 337 W C -1.155 175.297 176.519 -0.112 0.000 1.144 337 W CA -0.945 56.296 57.345 -0.173 0.000 1.175 337 W CB -0.230 29.124 29.460 -0.178 0.000 1.483 337 W HN 0.661 nan 8.180 nan 0.000 0.591 338 V N -1.443 118.641 119.914 0.283 0.000 3.113 338 V HA 0.798 4.918 4.120 -0.000 0.000 0.316 338 V C -0.933 175.283 176.094 0.202 0.000 1.125 338 V CA -1.179 61.187 62.300 0.110 0.000 1.026 338 V CB 1.881 33.725 31.823 0.035 0.000 1.080 338 V HN 0.738 nan 8.190 nan 0.000 0.444 339 E N 0.811 121.051 120.200 0.066 0.000 2.256 339 E HA 0.653 5.003 4.350 -0.000 0.000 0.268 339 E C -1.300 175.459 176.600 0.264 0.000 0.877 339 E CA -0.530 55.954 56.400 0.139 0.000 0.757 339 E CB 2.312 31.951 29.700 -0.102 0.000 1.183 339 E HN 0.803 nan 8.360 nan 0.000 0.418 340 S N 2.123 118.041 115.700 0.363 0.000 2.500 340 S HA 0.330 4.800 4.470 -0.000 0.000 0.301 340 S C -1.427 173.331 174.600 0.264 0.000 1.092 340 S CA -0.797 57.589 58.200 0.309 0.000 1.030 340 S CB 1.089 64.344 63.200 0.092 0.000 1.031 340 S HN 0.456 nan 8.310 nan 0.000 0.483 341 W N 7.024 128.202 121.300 -0.203 0.000 2.332 341 W HA 0.580 5.240 4.660 -0.000 0.000 0.306 341 W C -0.816 175.503 176.519 -0.333 0.000 1.149 341 W CA -0.543 56.450 57.345 -0.585 0.000 1.271 341 W CB 0.479 29.305 29.460 -1.056 0.000 1.243 341 W HN 0.775 nan 8.180 nan 0.000 0.459 342 M N 3.855 123.005 119.600 -0.749 0.000 3.012 342 M HA 0.324 4.804 4.480 -0.000 0.000 0.272 342 M C -1.390 174.613 176.300 -0.495 0.000 1.187 342 M CA -0.725 54.285 55.300 -0.484 0.000 0.813 342 M CB 1.941 34.396 32.600 -0.241 0.000 1.626 342 M HN 0.095 nan 8.290 nan 0.000 0.507 343 T N 0.348 114.737 114.554 -0.274 0.000 2.922 343 T HA 0.586 4.936 4.350 -0.000 0.000 0.285 343 T C -0.515 174.122 174.700 -0.104 0.000 1.005 343 T CA -0.525 61.458 62.100 -0.195 0.000 1.061 343 T CB 0.678 69.482 68.868 -0.108 0.000 1.007 343 T HN 0.630 nan 8.240 nan 0.000 0.502 344 R N 4.240 124.701 120.500 -0.065 0.000 2.860 344 R HA 0.252 4.592 4.340 -0.000 0.000 0.282 344 R C -1.846 174.463 176.300 0.014 0.000 1.408 344 R CA -2.142 53.954 56.100 -0.007 0.000 1.636 344 R CB 0.898 31.210 30.300 0.019 0.000 1.187 344 R HN 0.598 nan 8.270 nan 0.000 0.611 345 P HA -0.139 nan 4.420 nan 0.000 0.222 345 P C 0.387 177.701 177.300 0.024 0.000 1.147 345 P CA 0.988 64.099 63.100 0.018 0.000 0.790 345 P CB 0.318 32.033 31.700 0.025 0.000 0.780 346 D N -0.613 119.808 120.400 0.035 0.000 2.352 346 D HA 0.014 4.654 4.640 -0.000 0.000 0.232 346 D C 0.676 176.980 176.300 0.008 0.000 1.055 346 D CA 0.237 54.254 54.000 0.028 0.000 0.891 346 D CB -0.291 40.539 40.800 0.051 0.000 0.897 346 D HN 0.236 nan 8.370 nan 0.000 0.529 347 L N -0.845 120.393 121.223 0.024 0.000 2.301 347 L HA 0.261 4.601 4.340 -0.000 0.000 0.249 347 L C 0.178 177.068 176.870 0.033 0.000 1.069 347 L CA -1.385 53.482 54.840 0.045 0.000 0.865 347 L CB 1.237 43.367 42.059 0.119 0.000 1.467 347 L HN -0.274 nan 8.230 nan 0.000 0.419 348 Q N 1.986 121.803 119.800 0.029 0.000 2.369 348 Q HA 0.126 4.466 4.340 -0.000 0.000 0.295 348 Q C -2.237 173.699 176.000 -0.108 0.000 1.075 348 Q CA -1.088 54.682 55.803 -0.055 0.000 0.941 348 Q CB -0.292 28.380 28.738 -0.111 0.000 1.260 348 Q HN 0.243 nan 8.270 nan 0.000 0.417 349 P HA 0.014 nan 4.420 nan 0.000 0.270 349 P C 0.473 177.652 177.300 -0.201 0.000 1.223 349 P CA 0.575 63.608 63.100 -0.113 0.000 0.785 349 P CB 0.440 32.091 31.700 -0.082 0.000 0.923 350 G N 0.542 109.252 108.800 -0.151 0.000 2.175 350 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.244 350 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.244 350 G C 0.161 174.974 174.900 -0.145 0.000 0.982 350 G CA -0.226 44.769 45.100 -0.174 0.000 0.641 350 G HN 0.462 nan 8.290 nan 0.000 0.527 351 Y N 2.266 122.522 120.300 -0.074 0.000 2.625 351 Y HA 0.287 4.837 4.550 -0.000 0.000 0.285 351 Y C 1.402 177.206 175.900 -0.159 0.000 1.168 351 Y CA -0.604 57.441 58.100 -0.093 0.000 1.250 351 Y CB -0.033 38.384 38.460 -0.071 0.000 1.130 351 Y HN 0.570 nan 8.280 nan 0.000 0.526 352 E N -0.469 119.697 120.200 -0.058 0.000 2.371 352 E HA 0.509 4.859 4.350 -0.000 0.000 0.257 352 E C 0.833 177.156 176.600 -0.462 0.000 1.134 352 E CA 0.512 56.753 56.400 -0.266 0.000 0.919 352 E CB 1.621 31.159 29.700 -0.269 0.000 1.025 352 E HN 0.297 nan 8.360 nan 0.000 0.438 353 G N 0.454 108.651 108.800 -1.005 0.000 2.301 353 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.194 353 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.194 353 G C -1.534 172.722 174.900 -1.074 0.000 1.266 353 G CA -0.502 43.640 45.100 -1.596 0.000 1.210 353 G HN 0.532 nan 8.290 nan 0.000 0.524 354 W N 2.051 123.220 121.300 -0.218 0.000 2.238 354 W HA 0.615 5.275 4.660 -0.000 0.000 0.321 354 W C 0.336 176.789 176.519 -0.110 0.000 1.293 354 W CA -0.259 57.071 57.345 -0.024 0.000 1.204 354 W CB 1.023 30.523 29.460 0.067 0.000 1.167 354 W HN 0.330 nan 8.180 nan 0.000 0.553 355 Q N 2.558 122.487 119.800 0.216 0.000 2.330 355 Q HA 0.518 4.858 4.340 -0.000 0.000 0.269 355 Q C -0.489 175.604 176.000 0.154 0.000 1.022 355 Q CA -0.848 55.012 55.803 0.095 0.000 0.796 355 Q CB 1.828 30.581 28.738 0.024 0.000 1.271 355 Q HN 0.548 nan 8.270 nan 0.000 0.450 356 A N 3.866 126.761 122.820 0.125 0.000 2.354 356 A HA 0.544 4.864 4.320 -0.000 0.000 0.281 356 A C -0.436 177.171 177.584 0.038 0.000 1.174 356 A CA -0.277 51.852 52.037 0.152 0.000 0.828 356 A CB 0.211 19.278 19.000 0.111 0.000 1.099 356 A HN 0.692 nan 8.150 nan 0.000 0.516 357 L N 3.058 124.327 121.223 0.078 0.000 2.343 357 L HA 0.318 4.658 4.340 -0.000 0.000 0.278 357 L C -0.944 175.945 176.870 0.031 0.000 0.996 357 L CA -0.608 54.242 54.840 0.017 0.000 0.831 357 L CB 1.814 43.889 42.059 0.025 0.000 1.232 357 L HN 0.699 nan 8.230 nan 0.000 0.413 358 D N 6.236 126.609 120.400 -0.045 0.000 2.473 358 D HA 0.241 4.881 4.640 -0.000 0.000 0.226 358 D C -1.631 174.681 176.300 0.021 0.000 1.089 358 D CA -1.902 52.113 54.000 0.025 0.000 0.883 358 D CB 1.643 42.410 40.800 -0.055 0.000 1.029 358 D HN 0.222 nan 8.370 nan 0.000 0.517 359 P HA -0.025 nan 4.420 nan 0.000 0.242 359 P C -0.006 177.284 177.300 -0.018 0.000 1.197 359 P CA 0.128 63.203 63.100 -0.041 0.000 0.765 359 P CB 0.086 31.770 31.700 -0.026 0.000 0.936 360 T N 4.590 119.260 114.554 0.194 0.000 2.729 360 T HA 0.237 4.587 4.350 -0.000 0.000 0.296 360 T C -2.291 172.486 174.700 0.128 0.000 0.928 360 T CA -1.319 60.969 62.100 0.313 0.000 1.045 360 T CB 0.541 69.741 68.868 0.553 0.000 0.902 360 T HN 0.139 nan 8.240 nan 0.000 0.500 361 P HA 0.112 nan 4.420 nan 0.000 0.271 361 P C -0.760 176.510 177.300 -0.049 0.000 1.216 361 P CA -0.357 62.697 63.100 -0.078 0.000 0.771 361 P CB 0.656 32.289 31.700 -0.111 0.000 0.864 362 Q N 0.655 120.363 119.800 -0.153 0.000 2.451 362 Q HA 0.406 4.746 4.340 -0.000 0.000 0.281 362 Q C -0.538 175.344 176.000 -0.197 0.000 1.099 362 Q CA -1.118 54.542 55.803 -0.238 0.000 0.806 362 Q CB 1.627 30.084 28.738 -0.468 0.000 1.419 362 Q HN 0.385 nan 8.270 nan 0.000 0.427 363 E N 1.446 121.561 120.200 -0.142 0.000 2.415 363 E HA 0.028 4.378 4.350 -0.000 0.000 0.260 363 E C -1.014 175.578 176.600 -0.012 0.000 1.016 363 E CA 0.450 56.814 56.400 -0.060 0.000 0.924 363 E CB 0.583 30.265 29.700 -0.029 0.000 0.961 363 E HN 0.365 nan 8.360 nan 0.000 0.459 364 K N 1.626 122.015 120.400 -0.018 0.000 2.313 364 K HA 0.199 4.519 4.320 -0.000 0.000 0.235 364 K C 1.308 177.979 176.600 0.118 0.000 1.035 364 K CA -0.186 56.141 56.287 0.066 0.000 0.868 364 K CB 1.341 33.758 32.500 -0.139 0.000 1.232 364 K HN 0.570 nan 8.250 nan 0.000 0.459 365 S N 0.465 116.276 115.700 0.184 0.000 2.392 365 S HA -0.239 4.231 4.470 -0.000 0.000 0.232 365 S C 0.393 175.021 174.600 0.047 0.000 1.041 365 S CA 1.419 59.680 58.200 0.102 0.000 1.026 365 S CB -0.560 62.701 63.200 0.103 0.000 0.845 365 S HN 0.720 nan 8.310 nan 0.000 0.465 366 E N 0.274 120.493 120.200 0.031 0.000 3.626 366 E HA 0.593 4.943 4.350 -0.000 0.000 0.245 366 E C 0.156 176.751 176.600 -0.009 0.000 1.236 366 E CA -0.593 55.810 56.400 0.007 0.000 1.072 366 E CB 0.435 30.134 29.700 -0.001 0.000 1.309 366 E HN 0.498 nan 8.360 nan 0.000 0.400 367 G N 0.759 109.558 108.800 -0.002 0.000 2.408 367 G HA2 -0.070 3.890 3.960 -0.000 0.000 0.682 367 G HA3 -0.070 3.890 3.960 -0.000 0.000 0.682 367 G C -0.805 174.095 174.900 -0.000 0.000 1.303 367 G CA -0.801 44.297 45.100 -0.003 0.000 0.966 367 G HN 0.133 nan 8.290 nan 0.000 0.560 368 T N 1.116 115.682 114.554 0.020 0.000 2.809 368 T HA 0.641 4.991 4.350 -0.000 0.000 0.296 368 T C -1.070 173.683 174.700 0.088 0.000 1.015 368 T CA -0.026 62.082 62.100 0.013 0.000 0.954 368 T CB 0.969 69.840 68.868 0.004 0.000 0.950 368 T HN 0.749 nan 8.240 nan 0.000 0.450 369 Y N 1.751 121.964 120.300 -0.145 0.000 2.715 369 Y HA 0.569 5.119 4.550 -0.000 0.000 0.331 369 Y C 0.295 176.089 175.900 -0.177 0.000 1.197 369 Y CA -1.487 56.528 58.100 -0.142 0.000 1.079 369 Y CB 0.850 39.229 38.460 -0.135 0.000 1.298 369 Y HN 0.818 nan 8.280 nan 0.000 0.477 370 C N -0.277 118.692 119.300 -0.553 0.000 2.574 370 C HA 0.825 5.285 4.460 -0.000 0.000 0.335 370 C C -0.146 174.730 174.990 -0.190 0.000 1.493 370 C CA -0.946 57.852 59.018 -0.367 0.000 2.217 370 C CB -0.112 27.350 27.740 -0.463 0.000 2.056 370 C HN 0.745 nan 8.230 nan 0.000 0.607 371 C N 0.154 119.357 119.300 -0.163 0.000 2.889 371 C HA 0.977 5.437 4.460 -0.000 0.000 0.307 371 C C 0.661 175.605 174.990 -0.077 0.000 1.251 371 C CA 0.853 59.800 59.018 -0.118 0.000 1.593 371 C CB 0.581 28.222 27.740 -0.165 0.000 2.104 371 C HN 1.988 nan 8.230 nan 0.000 0.476 372 G N 2.533 111.328 108.800 -0.008 0.000 2.728 372 G HA2 -0.038 3.922 3.960 -0.000 0.000 0.294 372 G HA3 -0.038 3.922 3.960 -0.000 0.000 0.294 372 G C -3.125 171.758 174.900 -0.028 0.000 1.342 372 G CA -0.773 44.344 45.100 0.028 0.000 0.866 372 G HN 0.650 nan 8.290 nan 0.000 0.534 373 P HA 0.471 nan 4.420 nan 0.000 0.275 373 P C -0.436 176.947 177.300 0.138 0.000 1.227 373 P CA -0.024 63.123 63.100 0.078 0.000 0.781 373 P CB 1.799 33.536 31.700 0.060 0.000 0.906 374 V N 4.622 124.565 119.914 0.048 0.000 2.735 374 V HA 0.484 4.604 4.120 -0.000 0.000 0.310 374 V C -2.652 173.397 176.094 -0.075 0.000 1.061 374 V CA -2.934 59.358 62.300 -0.015 0.000 0.913 374 V CB 2.334 34.148 31.823 -0.014 0.000 1.005 374 V HN 0.377 nan 8.190 nan 0.000 0.428 375 P HA 0.199 nan 4.420 nan 0.000 0.276 375 P C 0.769 177.949 177.300 -0.201 0.000 1.230 375 P CA 0.034 62.999 63.100 -0.225 0.000 0.776 375 P CB 1.225 32.651 31.700 -0.456 0.000 0.888 376 V N 4.121 123.954 119.914 -0.136 0.000 2.343 376 V HA -0.235 3.885 4.120 -0.000 0.000 0.247 376 V C 2.419 178.385 176.094 -0.214 0.000 1.051 376 V CA 1.703 63.859 62.300 -0.241 0.000 1.036 376 V CB -0.907 30.690 31.823 -0.376 0.000 0.654 376 V HN 0.637 nan 8.190 nan 0.000 0.451 377 R N -0.164 120.260 120.500 -0.125 0.000 2.127 377 R HA -0.176 4.164 4.340 -0.000 0.000 0.238 377 R C 2.282 178.575 176.300 -0.012 0.000 1.134 377 R CA 1.486 57.571 56.100 -0.025 0.000 0.975 377 R CB -0.343 30.029 30.300 0.121 0.000 0.865 377 R HN 0.549 nan 8.270 nan 0.000 0.447 378 A N 0.872 123.554 122.820 -0.229 0.000 1.930 378 A HA -0.106 4.214 4.320 -0.000 0.000 0.217 378 A C 1.950 179.513 177.584 -0.035 0.000 1.175 378 A CA 0.887 52.774 52.037 -0.251 0.000 0.627 378 A CB -0.234 18.378 19.000 -0.647 0.000 0.815 378 A HN 0.166 nan 8.150 nan 0.000 0.443 379 I N 0.113 120.679 120.570 -0.008 0.000 2.252 379 I HA -0.195 3.975 4.170 -0.000 0.000 0.245 379 I C 2.323 178.607 176.117 0.277 0.000 1.102 379 I CA 1.832 63.242 61.300 0.183 0.000 1.385 379 I CB -1.174 36.945 38.000 0.199 0.000 1.064 379 I HN 0.432 nan 8.210 nan 0.000 0.414 380 K N 0.920 121.391 120.400 0.117 0.000 2.097 380 K HA -0.208 4.112 4.320 -0.000 0.000 0.205 380 K C 1.801 178.527 176.600 0.210 0.000 1.050 380 K CA 1.405 57.744 56.287 0.086 0.000 0.938 380 K CB 0.112 32.528 32.500 -0.140 0.000 0.718 380 K HN 0.019 nan 8.250 nan 0.000 0.442 381 E N -0.821 119.510 120.200 0.218 0.000 2.481 381 E HA 0.061 4.411 4.350 -0.000 0.000 0.195 381 E C 0.619 177.368 176.600 0.248 0.000 1.047 381 E CA 0.755 57.324 56.400 0.282 0.000 0.867 381 E CB 0.483 30.332 29.700 0.248 0.000 0.858 381 E HN 0.535 nan 8.360 nan 0.000 0.513 382 G N 1.283 110.213 108.800 0.217 0.000 2.143 382 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.248 382 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.248 382 G C 0.132 174.971 174.900 -0.101 0.000 0.991 382 G CA 0.338 45.438 45.100 0.001 0.000 0.689 382 G HN 0.321 nan 8.290 nan 0.000 0.522 383 D N 0.566 120.958 120.400 -0.012 0.000 2.688 383 D HA 0.346 4.986 4.640 -0.000 0.000 0.228 383 D C 1.872 178.124 176.300 -0.081 0.000 1.116 383 D CA -0.597 53.400 54.000 -0.005 0.000 1.023 383 D CB -0.188 40.683 40.800 0.118 0.000 1.100 383 D HN 0.080 nan 8.370 nan 0.000 0.487 384 L N 1.334 122.459 121.223 -0.162 0.000 2.450 384 L HA -0.119 4.221 4.340 -0.000 0.000 0.224 384 L C 2.375 179.182 176.870 -0.104 0.000 1.149 384 L CA 1.034 55.769 54.840 -0.176 0.000 0.816 384 L CB -0.911 40.986 42.059 -0.270 0.000 0.932 384 L HN 0.314 nan 8.230 nan 0.000 0.449 385 S N -3.648 112.009 115.700 -0.072 0.000 2.527 385 S HA 0.026 4.496 4.470 -0.000 0.000 0.222 385 S C 1.054 175.621 174.600 -0.054 0.000 0.985 385 S CA -0.113 58.056 58.200 -0.052 0.000 0.921 385 S CB -0.736 62.444 63.200 -0.033 0.000 0.772 385 S HN 0.346 nan 8.310 nan 0.000 0.529 386 T N 3.119 117.636 114.554 -0.061 0.000 2.930 386 T HA 0.224 4.574 4.350 -0.000 0.000 0.306 386 T C -0.025 174.595 174.700 -0.133 0.000 1.045 386 T CA 0.017 62.063 62.100 -0.091 0.000 1.134 386 T CB 0.650 69.424 68.868 -0.158 0.000 0.961 386 T HN 0.293 nan 8.240 nan 0.000 0.545 387 K N 1.616 121.885 120.400 -0.218 0.000 2.174 387 K HA 0.384 4.704 4.320 -0.000 0.000 0.275 387 K C -1.051 175.394 176.600 -0.258 0.000 1.015 387 K CA -0.354 55.695 56.287 -0.397 0.000 0.933 387 K CB 0.682 32.655 32.500 -0.878 0.000 1.025 387 K HN 0.540 nan 8.250 nan 0.000 0.463 388 Y N 0.836 121.122 120.300 -0.023 0.000 2.393 388 Y HA 0.122 4.672 4.550 -0.000 0.000 0.341 388 Y C 0.070 175.974 175.900 0.005 0.000 0.988 388 Y CA -0.612 57.486 58.100 -0.003 0.000 1.078 388 Y CB 1.632 40.092 38.460 0.001 0.000 1.203 388 Y HN 0.734 nan 8.280 nan 0.000 0.453 389 D N 0.708 121.218 120.400 0.184 0.000 3.041 389 D HA -0.254 4.386 4.640 -0.000 0.000 0.220 389 D C 1.315 177.732 176.300 0.194 0.000 1.157 389 D CA 0.845 54.974 54.000 0.214 0.000 0.876 389 D CB -1.024 39.856 40.800 0.134 0.000 1.107 389 D HN 0.757 nan 8.370 nan 0.000 0.422 390 A N 0.681 123.552 122.820 0.086 0.000 1.903 390 A HA -0.185 4.135 4.320 -0.000 0.000 0.219 390 A C 0.249 177.867 177.584 0.056 0.000 1.191 390 A CA 2.257 54.318 52.037 0.040 0.000 0.638 390 A CB -1.178 17.801 19.000 -0.035 0.000 0.823 390 A HN 0.369 nan 8.150 nan 0.000 0.451 391 P HA -0.141 nan 4.420 nan 0.000 0.221 391 P C 1.106 178.313 177.300 -0.155 0.000 1.145 391 P CA 1.004 64.037 63.100 -0.112 0.000 0.795 391 P CB -0.219 31.337 31.700 -0.239 0.000 0.775 392 F N 0.037 119.971 119.950 -0.027 0.000 2.118 392 F HA -0.105 4.422 4.527 -0.000 0.000 0.293 392 F C 2.640 178.386 175.800 -0.091 0.000 1.102 392 F CA 1.030 58.988 58.000 -0.070 0.000 1.247 392 F CB -1.400 37.542 39.000 -0.096 0.000 1.017 392 F HN -0.319 nan 8.300 nan 0.000 0.475 393 V N -0.153 119.811 119.914 0.084 0.000 2.343 393 V HA -0.328 3.792 4.120 -0.000 0.000 0.247 393 V C 2.147 178.250 176.094 0.014 0.000 1.051 393 V CA 1.802 64.053 62.300 -0.082 0.000 1.036 393 V CB -0.902 30.849 31.823 -0.119 0.000 0.654 393 V HN 0.316 nan 8.190 nan 0.000 0.451 394 F N 1.503 121.422 119.950 -0.051 0.000 2.120 394 F HA -0.252 4.275 4.527 -0.000 0.000 0.300 394 F C 2.248 177.989 175.800 -0.098 0.000 1.095 394 F CA 1.592 59.564 58.000 -0.047 0.000 1.249 394 F CB -0.461 38.488 39.000 -0.086 0.000 0.995 394 F HN 0.086 nan 8.300 nan 0.000 0.480 395 A N 0.069 122.857 122.820 -0.053 0.000 1.898 395 A HA -0.151 4.169 4.320 -0.000 0.000 0.216 395 A C 2.123 179.619 177.584 -0.146 0.000 1.181 395 A CA 1.505 53.443 52.037 -0.164 0.000 0.620 395 A CB -0.790 18.126 19.000 -0.140 0.000 0.819 395 A HN 0.441 nan 8.150 nan 0.000 0.442 396 E N -0.358 119.794 120.200 -0.080 0.000 2.147 396 E HA -0.176 4.174 4.350 -0.000 0.000 0.199 396 E C 1.814 178.419 176.600 0.009 0.000 1.005 396 E CA 1.643 58.040 56.400 -0.005 0.000 0.810 396 E CB -0.333 29.367 29.700 0.001 0.000 0.736 396 E HN 0.406 nan 8.360 nan 0.000 0.460 397 V N 1.032 120.904 119.914 -0.069 0.000 3.565 397 V HA 0.029 4.149 4.120 -0.000 0.000 0.260 397 V C 1.096 177.106 176.094 -0.140 0.000 1.231 397 V CA 0.618 62.878 62.300 -0.068 0.000 1.100 397 V CB 0.080 31.877 31.823 -0.043 0.000 0.807 397 V HN 0.164 nan 8.190 nan 0.000 0.454 398 N N -0.285 118.229 118.700 -0.309 0.000 2.145 398 N HA 0.276 5.016 4.740 -0.000 0.000 0.219 398 N C 0.734 176.101 175.510 -0.238 0.000 1.266 398 N CA 0.487 53.329 53.050 -0.347 0.000 0.902 398 N CB 0.969 38.931 38.487 -0.875 0.000 1.078 398 N HN 0.342 nan 8.380 nan 0.000 0.513 399 A N 0.997 123.695 122.820 -0.204 0.000 2.577 399 A HA 0.064 4.384 4.320 -0.000 0.000 0.233 399 A C -0.026 177.559 177.584 0.001 0.000 1.076 399 A CA 0.627 52.593 52.037 -0.118 0.000 0.767 399 A CB 0.085 19.038 19.000 -0.079 0.000 1.017 399 A HN 0.118 nan 8.150 nan 0.000 0.511 400 D N -0.313 120.114 120.400 0.044 0.000 2.362 400 D HA 0.549 5.189 4.640 -0.000 0.000 0.247 400 D C -1.007 175.315 176.300 0.037 0.000 1.050 400 D CA -0.113 53.927 54.000 0.066 0.000 0.839 400 D CB 1.673 42.534 40.800 0.102 0.000 1.283 400 D HN 0.226 nan 8.370 nan 0.000 0.477 401 V N 3.219 123.157 119.914 0.039 0.000 2.513 401 V HA 0.549 4.669 4.120 -0.000 0.000 0.299 401 V C -0.253 175.829 176.094 -0.020 0.000 1.035 401 V CA -0.793 61.532 62.300 0.042 0.000 0.889 401 V CB 1.853 33.755 31.823 0.133 0.000 0.988 401 V HN 0.405 nan 8.190 nan 0.000 0.440 402 V N 3.393 123.263 119.914 -0.073 0.000 2.483 402 V HA 0.445 4.565 4.120 -0.000 0.000 0.297 402 V C -0.732 175.188 176.094 -0.291 0.000 1.027 402 V CA -0.663 61.492 62.300 -0.241 0.000 0.855 402 V CB 1.894 33.533 31.823 -0.306 0.000 0.995 402 V HN 0.841 nan 8.190 nan 0.000 0.424 403 D N 4.171 124.377 120.400 -0.323 0.000 2.329 403 D HA 0.317 4.957 4.640 -0.000 0.000 0.232 403 D C -0.984 175.102 176.300 -0.357 0.000 1.088 403 D CA -0.073 53.800 54.000 -0.212 0.000 0.835 403 D CB 1.665 42.417 40.800 -0.080 0.000 1.078 403 D HN 0.446 nan 8.370 nan 0.000 0.495 404 W N 2.350 123.487 121.300 -0.271 0.000 2.551 404 W HA 0.399 5.059 4.660 -0.000 0.000 0.330 404 W C 0.072 176.492 176.519 -0.165 0.000 1.063 404 W CA -0.825 56.365 57.345 -0.257 0.000 1.222 404 W CB 1.286 30.480 29.460 -0.443 0.000 1.349 404 W HN 0.123 nan 8.180 nan 0.000 0.536 405 I N 3.533 124.149 120.570 0.077 0.000 2.328 405 I HA 0.125 4.295 4.170 -0.000 0.000 0.287 405 I C 0.253 176.369 176.117 -0.002 0.000 1.012 405 I CA -1.241 60.005 61.300 -0.091 0.000 1.195 405 I CB 0.630 38.287 38.000 -0.572 0.000 1.350 405 I HN 0.530 nan 8.210 nan 0.000 0.464 406 Q N 6.015 125.868 119.800 0.090 0.000 2.299 406 Q HA 0.480 4.820 4.340 -0.000 0.000 0.246 406 Q C -0.908 175.138 176.000 0.075 0.000 0.935 406 Q CA -0.391 55.472 55.803 0.101 0.000 0.887 406 Q CB 2.477 31.289 28.738 0.124 0.000 1.223 406 Q HN 0.678 nan 8.270 nan 0.000 0.439 407 Q N 0.533 120.390 119.800 0.095 0.000 3.252 407 Q HA 0.271 4.611 4.340 -0.000 0.000 0.324 407 Q C -1.150 174.901 176.000 0.086 0.000 0.963 407 Q CA -0.929 54.943 55.803 0.115 0.000 0.820 407 Q CB 1.661 30.518 28.738 0.199 0.000 1.497 407 Q HN 0.723 nan 8.270 nan 0.000 0.484 408 D N 1.581 122.035 120.400 0.090 0.000 2.308 408 D HA 0.137 4.777 4.640 -0.000 0.000 0.251 408 D C -0.597 175.740 176.300 0.062 0.000 1.127 408 D CA 0.604 54.642 54.000 0.063 0.000 0.876 408 D CB 1.131 41.966 40.800 0.058 0.000 1.176 408 D HN 0.676 nan 8.370 nan 0.000 0.446 409 D N 0.908 121.330 120.400 0.037 0.000 3.108 409 D HA -0.120 4.520 4.640 -0.000 0.000 0.214 409 D C 0.990 177.298 176.300 0.013 0.000 1.098 409 D CA 1.137 55.153 54.000 0.026 0.000 0.901 409 D CB -1.192 39.631 40.800 0.039 0.000 1.091 409 D HN 0.722 nan 8.370 nan 0.000 0.435 410 G N -0.142 108.663 108.800 0.007 0.000 2.280 410 G HA2 -0.336 3.624 3.960 -0.000 0.000 0.282 410 G HA3 -0.336 3.624 3.960 -0.000 0.000 0.282 410 G C 0.368 175.249 174.900 -0.033 0.000 1.000 410 G CA 1.220 46.309 45.100 -0.018 0.000 0.751 410 G HN 1.498 nan 8.290 nan 0.000 0.515 411 S N -1.487 114.209 115.700 -0.006 0.000 2.564 411 S HA 0.615 5.085 4.470 -0.000 0.000 0.278 411 S C -0.009 174.515 174.600 -0.126 0.000 1.333 411 S CA -0.446 57.715 58.200 -0.065 0.000 1.048 411 S CB 2.686 65.900 63.200 0.024 0.000 0.900 411 S HN 0.822 nan 8.310 nan 0.000 0.505 412 V N 4.263 124.011 119.914 -0.276 0.000 2.487 412 V HA 0.431 4.551 4.120 -0.000 0.000 0.298 412 V C -0.692 175.235 176.094 -0.279 0.000 1.028 412 V CA -0.622 61.571 62.300 -0.178 0.000 0.860 412 V CB 1.474 33.202 31.823 -0.158 0.000 0.991 412 V HN 0.968 nan 8.190 nan 0.000 0.427 413 H N 3.640 122.848 119.070 0.230 0.000 2.529 413 H HA 0.365 4.921 4.556 -0.000 0.000 0.348 413 H C -0.446 175.026 175.328 0.241 0.000 1.079 413 H CA -0.865 55.334 56.048 0.252 0.000 1.198 413 H CB 2.253 32.097 29.762 0.137 0.000 1.521 413 H HN 0.517 nan 8.280 nan 0.000 0.514 414 K N 2.464 122.985 120.400 0.202 0.000 2.349 414 K HA 0.128 4.448 4.320 -0.000 0.000 0.289 414 K C 0.112 176.632 176.600 -0.132 0.000 1.064 414 K CA -0.369 55.709 56.287 -0.349 0.000 0.947 414 K CB 0.455 32.567 32.500 -0.647 0.000 1.007 414 K HN 0.660 nan 8.250 nan 0.000 0.478 415 S N 4.087 119.694 115.700 -0.154 0.000 2.632 415 S HA 0.368 4.838 4.470 -0.000 0.000 0.271 415 S C 0.239 174.793 174.600 -0.077 0.000 1.260 415 S CA -0.904 57.283 58.200 -0.022 0.000 1.010 415 S CB 0.637 63.837 63.200 0.000 0.000 0.965 415 S HN 0.550 nan 8.310 nan 0.000 0.534 416 I N 2.672 123.226 120.570 -0.027 0.000 2.342 416 I HA 0.308 4.478 4.170 -0.000 0.000 0.291 416 I C 0.031 176.129 176.117 -0.032 0.000 1.010 416 I CA -0.288 60.987 61.300 -0.041 0.000 1.308 416 I CB 0.799 38.782 38.000 -0.027 0.000 1.400 416 I HN 0.637 nan 8.210 nan 0.000 0.488 417 N N 6.207 124.884 118.700 -0.038 0.000 2.576 417 N HA 0.303 5.043 4.740 -0.000 0.000 0.269 417 N C 0.092 175.597 175.510 -0.008 0.000 1.058 417 N CA -0.538 52.500 53.050 -0.020 0.000 0.860 417 N CB 1.063 39.535 38.487 -0.025 0.000 1.249 417 N HN 0.437 nan 8.380 nan 0.000 0.525 418 R N 0.504 121.005 120.500 0.002 0.000 2.312 418 R HA 0.067 4.407 4.340 -0.000 0.000 0.205 418 R C 1.501 177.813 176.300 0.021 0.000 0.904 418 R CA 0.568 56.675 56.100 0.011 0.000 1.052 418 R CB 0.311 30.619 30.300 0.013 0.000 1.014 418 R HN 0.556 nan 8.270 nan 0.000 0.503 419 S N 0.281 115.994 115.700 0.021 0.000 2.461 419 S HA -0.013 4.457 4.470 -0.000 0.000 0.228 419 S C 0.766 175.388 174.600 0.037 0.000 1.005 419 S CA 0.087 58.304 58.200 0.029 0.000 0.942 419 S CB 0.043 63.260 63.200 0.029 0.000 0.776 419 S HN 0.125 nan 8.310 nan 0.000 0.514 420 L N 1.837 123.081 121.223 0.036 0.000 2.257 420 L HA 0.644 4.984 4.340 -0.000 0.000 0.290 420 L C -1.199 175.705 176.870 0.057 0.000 1.044 420 L CA -0.541 54.329 54.840 0.050 0.000 0.810 420 L CB 0.878 42.967 42.059 0.050 0.000 1.193 420 L HN 0.257 nan 8.230 nan 0.000 0.425 421 I N 5.747 126.358 120.570 0.068 0.000 2.468 421 I HA 0.288 4.458 4.170 -0.000 0.000 0.285 421 I C -0.516 175.653 176.117 0.087 0.000 1.039 421 I CA -0.855 60.489 61.300 0.072 0.000 1.074 421 I CB 2.003 40.042 38.000 0.066 0.000 1.228 421 I HN 0.198 nan 8.210 nan 0.000 0.436 422 V N 5.091 125.056 119.914 0.086 0.000 2.740 422 V HA 0.379 4.499 4.120 -0.000 0.000 0.303 422 V C 0.984 177.126 176.094 0.080 0.000 1.054 422 V CA 0.371 62.724 62.300 0.089 0.000 1.106 422 V CB 0.894 32.757 31.823 0.067 0.000 0.957 422 V HN 1.079 nan 8.190 nan 0.000 0.486 423 G N 4.115 112.971 108.800 0.093 0.000 2.587 423 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.274 423 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.274 423 G C 0.075 175.023 174.900 0.081 0.000 1.046 423 G CA 0.198 45.342 45.100 0.072 0.000 1.308 423 G HN 0.594 nan 8.290 nan 0.000 0.529 424 L N -0.109 121.187 121.223 0.122 0.000 2.276 424 L HA 0.335 4.675 4.340 -0.000 0.000 0.194 424 L C 1.709 178.633 176.870 0.090 0.000 1.099 424 L CA 1.021 55.928 54.840 0.112 0.000 0.800 424 L CB 0.102 42.231 42.059 0.116 0.000 0.994 424 L HN 0.352 nan 8.230 nan 0.000 0.475 425 K N 1.120 121.625 120.400 0.176 0.000 2.920 425 K HA 0.366 4.686 4.320 -0.000 0.000 0.175 425 K C -0.784 175.860 176.600 0.072 0.000 1.099 425 K CA -0.203 56.129 56.287 0.075 0.000 0.939 425 K CB 0.949 33.415 32.500 -0.056 0.000 1.148 425 K HN 0.126 nan 8.250 nan 0.000 0.613 426 I N 1.972 122.519 120.570 -0.038 0.000 2.907 426 I HA -0.089 4.081 4.170 -0.000 0.000 0.285 426 I C 0.046 176.046 176.117 -0.194 0.000 1.189 426 I CA 0.834 62.026 61.300 -0.179 0.000 1.376 426 I CB -0.273 37.596 38.000 -0.219 0.000 1.420 426 I HN 0.281 nan 8.210 nan 0.000 0.544 427 S N 4.407 119.954 115.700 -0.255 0.000 2.532 427 S HA 0.724 5.194 4.470 -0.000 0.000 0.301 427 S C -0.073 174.345 174.600 -0.304 0.000 1.083 427 S CA -0.626 57.353 58.200 -0.368 0.000 1.025 427 S CB 2.574 65.431 63.200 -0.571 0.000 1.056 427 S HN 0.737 nan 8.310 nan 0.000 0.494 428 T N 0.946 115.328 114.554 -0.287 0.000 2.885 428 T HA 0.362 4.712 4.350 -0.000 0.000 0.322 428 T C -1.450 173.297 174.700 0.079 0.000 1.387 428 T CA -0.796 61.293 62.100 -0.020 0.000 1.041 428 T CB 1.133 69.928 68.868 -0.123 0.000 1.287 428 T HN 0.627 nan 8.240 nan 0.000 0.491 429 K N 2.316 122.908 120.400 0.319 0.000 2.436 429 K HA 0.353 4.673 4.320 -0.000 0.000 0.275 429 K C 0.111 176.794 176.600 0.140 0.000 0.999 429 K CA -0.127 56.344 56.287 0.306 0.000 0.980 429 K CB 0.298 32.994 32.500 0.326 0.000 0.919 429 K HN 0.564 nan 8.250 nan 0.000 0.484 430 S N 1.776 117.538 115.700 0.104 0.000 2.579 430 S HA 0.011 4.481 4.470 -0.000 0.000 0.275 430 S C -0.399 174.204 174.600 0.005 0.000 1.345 430 S CA -0.766 57.461 58.200 0.044 0.000 1.031 430 S CB 1.205 64.423 63.200 0.031 0.000 0.892 430 S HN 0.536 nan 8.310 nan 0.000 0.529 431 V N 2.684 122.572 119.914 -0.045 0.000 2.470 431 V HA 0.548 4.668 4.120 -0.000 0.000 0.276 431 V C 1.100 177.133 176.094 -0.102 0.000 1.040 431 V CA 0.853 63.061 62.300 -0.153 0.000 1.008 431 V CB -0.284 31.404 31.823 -0.224 0.000 0.990 431 V HN 1.261 nan 8.190 nan 0.000 0.477 432 G N 5.204 113.940 108.800 -0.107 0.000 2.179 432 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.260 432 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.260 432 G C 0.244 175.133 174.900 -0.017 0.000 0.977 432 G CA 0.663 45.726 45.100 -0.062 0.000 0.641 432 G HN 1.472 nan 8.290 nan 0.000 0.533 433 R N -1.503 119.001 120.500 0.006 0.000 2.781 433 R HA 0.657 4.997 4.340 -0.000 0.000 0.269 433 R C -0.463 175.901 176.300 0.106 0.000 1.025 433 R CA -0.572 55.556 56.100 0.047 0.000 0.914 433 R CB 0.425 30.747 30.300 0.036 0.000 1.236 433 R HN -0.126 nan 8.270 nan 0.000 0.465 434 D N 0.544 121.041 120.400 0.161 0.000 2.363 434 D HA 0.018 4.658 4.640 -0.000 0.000 0.226 434 D C -0.483 175.936 176.300 0.199 0.000 1.020 434 D CA 0.771 54.952 54.000 0.301 0.000 0.892 434 D CB 0.145 41.173 40.800 0.380 0.000 0.900 434 D HN 0.378 nan 8.370 nan 0.000 0.531 435 E N 0.425 120.689 120.200 0.106 0.000 2.374 435 E HA 0.150 4.500 4.350 -0.000 0.000 0.260 435 E C 0.438 177.059 176.600 0.035 0.000 1.101 435 E CA -0.334 56.088 56.400 0.037 0.000 0.907 435 E CB 1.093 30.796 29.700 0.006 0.000 1.014 435 E HN -0.050 nan 8.360 nan 0.000 0.427 436 R N 1.758 122.225 120.500 -0.055 0.000 2.390 436 R HA 0.108 4.448 4.340 -0.000 0.000 0.291 436 R C -0.488 175.697 176.300 -0.191 0.000 1.070 436 R CA -0.184 55.792 56.100 -0.206 0.000 1.014 436 R CB 0.664 30.692 30.300 -0.453 0.000 1.007 436 R HN 0.607 nan 8.270 nan 0.000 0.466 437 E N 3.123 123.209 120.200 -0.189 0.000 2.166 437 E HA 0.046 4.396 4.350 -0.000 0.000 0.275 437 E C -1.314 175.192 176.600 -0.157 0.000 0.941 437 E CA -0.701 55.631 56.400 -0.113 0.000 0.784 437 E CB 1.237 30.911 29.700 -0.043 0.000 1.115 437 E HN 0.519 nan 8.360 nan 0.000 0.399 438 D N 5.423 125.767 120.400 -0.093 0.000 2.313 438 D HA 0.115 4.755 4.640 -0.000 0.000 0.239 438 D C 0.659 176.960 176.300 0.002 0.000 1.142 438 D CA -0.334 53.620 54.000 -0.077 0.000 0.847 438 D CB 0.791 41.564 40.800 -0.045 0.000 1.082 438 D HN 0.623 nan 8.370 nan 0.000 0.480 439 I N 0.950 121.471 120.570 -0.080 0.000 3.927 439 I HA 0.102 4.272 4.170 -0.000 0.000 0.332 439 I C 1.047 177.073 176.117 -0.151 0.000 1.485 439 I CA -0.471 60.720 61.300 -0.181 0.000 1.131 439 I CB 0.195 38.080 38.000 -0.191 0.000 1.092 439 I HN 0.049 nan 8.210 nan 0.000 0.410 440 T N 1.912 116.452 114.554 -0.023 0.000 2.737 440 T HA -0.239 4.111 4.350 -0.000 0.000 0.269 440 T C 1.893 176.629 174.700 0.060 0.000 1.040 440 T CA 2.444 64.572 62.100 0.047 0.000 1.142 440 T CB -0.736 68.167 68.868 0.058 0.000 0.861 440 T HN 0.666 nan 8.240 nan 0.000 0.456 441 H N 1.178 120.279 119.070 0.052 0.000 2.489 441 H HA -0.045 4.511 4.556 -0.000 0.000 0.293 441 H C 2.125 177.446 175.328 -0.012 0.000 1.066 441 H CA 1.642 57.704 56.048 0.024 0.000 1.305 441 H CB -0.840 28.933 29.762 0.018 0.000 1.386 441 H HN 0.535 nan 8.280 nan 0.000 0.551 442 T N -2.659 111.617 114.554 -0.463 0.000 3.067 442 T HA -0.058 4.292 4.350 -0.000 0.000 0.261 442 T C 1.403 175.940 174.700 -0.271 0.000 1.110 442 T CA 0.379 62.274 62.100 -0.341 0.000 1.113 442 T CB -0.495 68.136 68.868 -0.395 0.000 0.917 442 T HN 0.356 nan 8.240 nan 0.000 0.499 443 Y N 1.015 121.249 120.300 -0.111 0.000 2.507 443 Y HA 0.500 5.050 4.550 -0.000 0.000 0.263 443 Y C 0.868 176.751 175.900 -0.028 0.000 1.093 443 Y CA -0.288 57.794 58.100 -0.030 0.000 1.285 443 Y CB 0.652 39.127 38.460 0.026 0.000 1.115 443 Y HN 0.102 nan 8.280 nan 0.000 0.533 444 K N -0.911 119.544 120.400 0.091 0.000 2.498 444 K HA 0.343 4.663 4.320 -0.000 0.000 0.254 444 K C -1.784 174.817 176.600 0.003 0.000 0.933 444 K CA -0.797 55.533 56.287 0.071 0.000 0.806 444 K CB 1.856 34.442 32.500 0.142 0.000 1.301 444 K HN -0.253 nan 8.250 nan 0.000 0.432 445 Y N 1.340 121.704 120.300 0.106 0.000 2.300 445 Y HA 0.226 4.776 4.550 -0.000 0.000 0.328 445 Y C -1.857 174.063 175.900 0.034 0.000 1.270 445 Y CA -1.874 56.263 58.100 0.061 0.000 1.352 445 Y CB 0.163 38.633 38.460 0.017 0.000 1.286 445 Y HN 0.403 nan 8.280 nan 0.000 0.536 446 P HA -0.042 nan 4.420 nan 0.000 0.265 446 P C -0.926 176.412 177.300 0.063 0.000 1.187 446 P CA 0.181 63.349 63.100 0.115 0.000 0.766 446 P CB 0.342 32.096 31.700 0.089 0.000 0.820 447 E N 1.784 122.014 120.200 0.050 0.000 2.465 447 E HA 0.161 4.511 4.350 -0.000 0.000 0.260 447 E C 1.229 177.826 176.600 -0.005 0.000 0.980 447 E CA 0.621 57.036 56.400 0.025 0.000 0.927 447 E CB -0.245 29.482 29.700 0.045 0.000 0.934 447 E HN 0.789 nan 8.360 nan 0.000 0.459 448 G N 2.861 111.636 108.800 -0.041 0.000 2.168 448 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.257 448 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.257 448 G C 0.338 175.204 174.900 -0.056 0.000 0.997 448 G CA 0.594 45.666 45.100 -0.046 0.000 0.708 448 G HN 0.655 nan 8.290 nan 0.000 0.520 449 S N -0.783 114.875 115.700 -0.070 0.000 2.669 449 S HA 0.712 5.182 4.470 -0.000 0.000 0.270 449 S C 1.775 176.302 174.600 -0.122 0.000 1.225 449 S CA 0.699 58.853 58.200 -0.076 0.000 0.991 449 S CB 1.687 64.852 63.200 -0.059 0.000 0.987 449 S HN 1.466 nan 8.310 nan 0.000 0.552 450 S N 0.674 116.299 115.700 -0.126 0.000 2.368 450 S HA -0.163 4.307 4.470 -0.000 0.000 0.224 450 S C 1.616 176.099 174.600 -0.195 0.000 1.029 450 S CA 0.944 59.065 58.200 -0.132 0.000 0.988 450 S CB -0.892 62.245 63.200 -0.106 0.000 0.838 450 S HN 0.844 nan 8.310 nan 0.000 0.462 451 E N 1.772 121.779 120.200 -0.322 0.000 2.153 451 E HA -0.198 4.152 4.350 -0.000 0.000 0.194 451 E C 2.001 178.374 176.600 -0.379 0.000 0.988 451 E CA 1.244 57.316 56.400 -0.546 0.000 0.811 451 E CB -0.570 28.376 29.700 -1.257 0.000 0.746 451 E HN 0.862 nan 8.360 nan 0.000 0.466 452 E N 1.533 121.577 120.200 -0.261 0.000 2.077 452 E HA -0.212 4.138 4.350 -0.000 0.000 0.193 452 E C 2.331 178.703 176.600 -0.381 0.000 0.989 452 E CA 0.872 57.116 56.400 -0.261 0.000 0.800 452 E CB -0.019 29.474 29.700 -0.345 0.000 0.746 452 E HN 0.137 nan 8.360 nan 0.000 0.452 453 R N 0.288 120.639 120.500 -0.248 0.000 2.091 453 R HA -0.159 4.181 4.340 -0.000 0.000 0.238 453 R C 2.223 178.517 176.300 -0.010 0.000 1.136 453 R CA 1.722 57.747 56.100 -0.125 0.000 0.959 453 R CB 0.051 30.303 30.300 -0.081 0.000 0.856 453 R HN 0.140 nan 8.270 nan 0.000 0.437 454 E N 0.333 120.517 120.200 -0.027 0.000 2.031 454 E HA -0.181 4.169 4.350 -0.000 0.000 0.193 454 E C 1.961 178.635 176.600 0.124 0.000 0.994 454 E CA 1.503 57.921 56.400 0.030 0.000 0.800 454 E CB -0.572 29.121 29.700 -0.011 0.000 0.752 454 E HN 0.459 nan 8.360 nan 0.000 0.447 455 A N 0.714 123.645 122.820 0.184 0.000 1.908 455 A HA -0.154 4.166 4.320 -0.000 0.000 0.218 455 A C 2.220 180.103 177.584 0.498 0.000 1.181 455 A CA 1.282 53.525 52.037 0.344 0.000 0.627 455 A CB -1.018 18.269 19.000 0.479 0.000 0.818 455 A HN 0.259 nan 8.150 nan 0.000 0.445 456 F N -0.206 119.877 119.950 0.221 0.000 2.325 456 F HA -0.120 4.407 4.527 -0.000 0.000 0.299 456 F C 2.638 178.518 175.800 0.134 0.000 1.090 456 F CA 0.936 59.083 58.000 0.245 0.000 1.392 456 F CB -0.151 38.964 39.000 0.191 0.000 1.053 456 F HN 0.190 nan 8.300 nan 0.000 0.521 457 T N -0.221 114.497 114.554 0.273 0.000 2.770 457 T HA -0.110 4.240 4.350 -0.000 0.000 0.263 457 T C 1.775 176.533 174.700 0.096 0.000 1.039 457 T CA 0.856 63.044 62.100 0.146 0.000 1.142 457 T CB -0.229 68.697 68.868 0.097 0.000 0.868 457 T HN 0.201 nan 8.240 nan 0.000 0.435 458 R N 1.184 121.741 120.500 0.094 0.000 2.293 458 R HA 0.139 4.479 4.340 -0.000 0.000 0.219 458 R C 1.920 178.203 176.300 -0.029 0.000 1.091 458 R CA 0.900 57.022 56.100 0.037 0.000 1.004 458 R CB -0.118 30.211 30.300 0.049 0.000 0.865 458 R HN 0.288 nan 8.270 nan 0.000 0.469 459 A N 0.630 123.429 122.820 -0.035 0.000 2.470 459 A HA 0.114 4.434 4.320 -0.000 0.000 0.251 459 A C -0.192 177.338 177.584 -0.090 0.000 1.245 459 A CA -0.484 51.432 52.037 -0.202 0.000 0.932 459 A CB 0.191 18.868 19.000 -0.539 0.000 1.037 459 A HN 0.289 nan 8.150 nan 0.000 0.522 460 N N 0.469 119.176 118.700 0.012 0.000 2.671 460 N HA -0.222 4.518 4.740 -0.000 0.000 0.261 460 N C -0.318 175.255 175.510 0.105 0.000 1.053 460 N CA 1.253 54.327 53.050 0.040 0.000 0.732 460 N CB -1.128 37.358 38.487 -0.001 0.000 0.887 460 N HN 0.777 nan 8.380 nan 0.000 0.546 461 H N -0.214 118.857 119.070 0.001 0.000 3.074 461 H HA 0.304 4.860 4.556 -0.000 0.000 0.227 461 H C 0.715 176.062 175.328 0.032 0.000 1.365 461 H CA -0.346 55.676 56.048 -0.043 0.000 1.078 461 H CB -0.249 29.428 29.762 -0.141 0.000 2.347 461 H HN 0.296 nan 8.280 nan 0.000 0.567 462 L N 0.195 121.425 121.223 0.012 0.000 2.675 462 L HA 0.054 4.394 4.340 -0.000 0.000 0.238 462 L C 0.088 176.935 176.870 -0.038 0.000 1.155 462 L CA 0.041 54.905 54.840 0.041 0.000 0.881 462 L CB -0.355 41.747 42.059 0.071 0.000 1.008 462 L HN 0.322 nan 8.230 nan 0.000 0.443 463 N N 2.969 121.568 118.700 -0.168 0.000 2.416 463 N HA 0.071 4.811 4.740 -0.000 0.000 0.265 463 N C 0.314 175.749 175.510 -0.124 0.000 1.195 463 N CA 0.264 53.242 53.050 -0.120 0.000 0.943 463 N CB 0.424 38.858 38.487 -0.088 0.000 1.115 463 N HN 0.353 nan 8.380 nan 0.000 0.481 464 K N -0.150 120.236 120.400 -0.023 0.000 3.477 464 K HA 0.068 4.388 4.320 -0.000 0.000 0.127 464 K C -0.109 176.506 176.600 0.024 0.000 0.937 464 K CA -0.211 56.089 56.287 0.022 0.000 0.929 464 K CB -1.041 31.515 32.500 0.092 0.000 0.648 464 K HN 0.124 nan 8.250 nan 0.000 0.373 465 L N 1.574 122.804 121.223 0.013 0.000 2.362 465 L HA 0.133 4.473 4.340 -0.000 0.000 0.219 465 L C 0.715 177.591 176.870 0.011 0.000 1.134 465 L CA 0.869 55.717 54.840 0.013 0.000 0.807 465 L CB -0.447 41.620 42.059 0.013 0.000 0.927 465 L HN 0.596 nan 8.230 nan 0.000 0.447 466 A N 0.431 123.256 122.820 0.008 0.000 1.935 466 A HA -0.178 4.142 4.320 -0.000 0.000 0.488 466 A C 1.179 178.762 177.584 -0.001 0.000 0.501 466 A CA 0.317 52.357 52.037 0.004 0.000 0.379 466 A CB -0.460 18.547 19.000 0.011 0.000 2.852 466 A HN 0.375 nan 8.150 nan 0.000 0.390 467 E N 1.948 122.141 120.200 -0.012 0.000 2.110 467 E HA -0.171 4.179 4.350 -0.000 0.000 0.193 467 E C 1.361 177.959 176.600 -0.004 0.000 0.988 467 E CA 1.377 57.769 56.400 -0.013 0.000 0.804 467 E CB -0.207 29.472 29.700 -0.034 0.000 0.745 467 E HN 0.906 nan 8.360 nan 0.000 0.458 468 K N -0.350 120.048 120.400 -0.003 0.000 3.290 468 K HA -0.329 3.991 4.320 -0.000 0.000 0.309 468 K C 1.067 177.669 176.600 0.003 0.000 1.207 468 K CA 1.381 57.669 56.287 0.003 0.000 0.939 468 K CB -1.307 31.198 32.500 0.008 0.000 1.230 468 K HN 0.277 nan 8.250 nan 0.000 0.428 469 E N 1.375 121.575 120.200 0.000 0.000 2.172 469 E HA -0.283 4.067 4.350 -0.000 0.000 0.213 469 E C 0.311 176.912 176.600 0.002 0.000 1.051 469 E CA 1.496 57.898 56.400 0.003 0.000 0.860 469 E CB -0.306 29.393 29.700 -0.001 0.000 0.755 469 E HN 0.502 nan 8.360 nan 0.000 0.462 470 E N 0.336 120.533 120.200 -0.004 0.000 2.497 470 E HA -0.242 4.108 4.350 -0.000 0.000 0.223 470 E C -0.474 176.121 176.600 -0.008 0.000 1.892 470 E CA 0.403 56.800 56.400 -0.004 0.000 0.805 470 E CB -0.302 29.403 29.700 0.009 0.000 0.957 470 E HN 0.191 nan 8.360 nan 0.000 0.326 471 T N 2.884 117.416 114.554 -0.037 0.000 3.228 471 T HA 0.138 4.488 4.350 -0.000 0.000 0.261 471 T C 1.575 176.266 174.700 -0.015 0.000 1.171 471 T CA 0.732 62.796 62.100 -0.059 0.000 1.056 471 T CB -0.098 68.664 68.868 -0.176 0.000 0.938 471 T HN 0.910 nan 8.240 nan 0.000 0.539 472 G N 1.150 109.953 108.800 0.006 0.000 2.267 472 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.257 472 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.257 472 G C 0.211 175.124 174.900 0.022 0.000 0.998 472 G CA 0.020 45.139 45.100 0.033 0.000 0.620 472 G HN 0.489 nan 8.290 nan 0.000 0.529 473 M N 1.005 120.592 119.600 -0.021 0.000 2.288 473 M HA 0.625 5.105 4.480 -0.000 0.000 0.334 473 M C 0.359 176.642 176.300 -0.029 0.000 1.150 473 M CA 0.436 55.712 55.300 -0.041 0.000 1.118 473 M CB 1.659 34.176 32.600 -0.137 0.000 1.501 473 M HN 0.737 nan 8.290 nan 0.000 0.462 474 A N 3.174 125.987 122.820 -0.011 0.000 2.587 474 A HA 0.944 5.264 4.320 -0.000 0.000 0.293 474 A C -1.384 176.209 177.584 0.015 0.000 1.087 474 A CA -0.772 51.269 52.037 0.007 0.000 0.692 474 A CB 2.526 21.544 19.000 0.030 0.000 1.291 474 A HN 0.924 nan 8.150 nan 0.000 0.407 475 M N 1.355 120.971 119.600 0.027 0.000 2.414 475 M HA 0.644 5.124 4.480 -0.000 0.000 0.287 475 M C -1.549 174.787 176.300 0.060 0.000 1.181 475 M CA -0.369 54.958 55.300 0.044 0.000 0.933 475 M CB 1.902 34.509 32.600 0.013 0.000 1.732 475 M HN 1.084 nan 8.290 nan 0.000 0.486 476 R N 3.372 123.929 120.500 0.095 0.000 2.716 476 R HA 0.592 4.932 4.340 -0.000 0.000 0.271 476 R C -1.853 174.514 176.300 0.112 0.000 1.028 476 R CA -1.011 55.139 56.100 0.084 0.000 0.883 476 R CB 1.087 31.429 30.300 0.069 0.000 1.250 476 R HN 0.566 nan 8.270 nan 0.000 0.465 477 I N 1.931 122.555 120.570 0.090 0.000 2.395 477 I HA 0.377 4.547 4.170 -0.000 0.000 0.289 477 I C 0.195 176.379 176.117 0.112 0.000 1.023 477 I CA -0.469 60.895 61.300 0.107 0.000 1.350 477 I CB 0.996 39.043 38.000 0.078 0.000 1.409 477 I HN 0.591 nan 8.210 nan 0.000 0.507 478 R N 3.430 124.033 120.500 0.172 0.000 2.711 478 R HA 0.496 4.836 4.340 -0.000 0.000 0.284 478 R C 0.706 177.160 176.300 0.256 0.000 0.968 478 R CA -0.451 55.746 56.100 0.161 0.000 0.924 478 R CB 2.121 32.497 30.300 0.127 0.000 1.162 478 R HN 0.515 nan 8.270 nan 0.000 0.465 479 V N -0.033 119.988 119.914 0.179 0.000 3.570 479 V HA 0.438 4.558 4.120 -0.000 0.000 0.257 479 V C 0.989 177.215 176.094 0.221 0.000 1.272 479 V CA 1.190 63.598 62.300 0.180 0.000 1.079 479 V CB 0.222 32.066 31.823 0.034 0.000 0.829 479 V HN 0.971 nan 8.190 nan 0.000 0.454 480 G N 1.024 109.914 108.800 0.151 0.000 4.655 480 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.220 480 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.220 480 G C 0.110 175.040 174.900 0.050 0.000 1.403 480 G CA 0.774 45.938 45.100 0.106 0.000 0.931 480 G HN 1.088 nan 8.290 nan 0.000 0.654 481 Q N -0.376 119.447 119.800 0.039 0.000 2.590 481 Q HA 0.692 5.032 4.340 -0.000 0.000 0.295 481 Q C -0.204 175.738 176.000 -0.098 0.000 0.973 481 Q CA -0.049 55.746 55.803 -0.014 0.000 0.768 481 Q CB 0.986 29.724 28.738 0.001 0.000 1.479 481 Q HN 0.963 nan 8.270 nan 0.000 0.419 482 S N 0.491 116.111 115.700 -0.133 0.000 2.558 482 S HA 0.370 4.840 4.470 -0.000 0.000 0.291 482 S C -0.580 173.855 174.600 -0.275 0.000 1.306 482 S CA -0.026 58.019 58.200 -0.258 0.000 1.056 482 S CB 0.000 63.106 63.200 -0.156 0.000 0.836 482 S HN 0.419 nan 8.310 nan 0.000 0.504 483 M N 4.409 123.743 119.600 -0.442 0.000 2.598 483 M HA 0.571 5.051 4.480 -0.000 0.000 0.317 483 M C -0.421 175.646 176.300 -0.388 0.000 1.179 483 M CA -0.749 54.261 55.300 -0.483 0.000 0.936 483 M CB 1.326 33.270 32.600 -1.093 0.000 1.713 483 M HN 0.395 nan 8.290 nan 0.000 0.460 484 N N 1.060 119.622 118.700 -0.231 0.000 2.384 484 N HA 0.435 5.175 4.740 -0.000 0.000 0.301 484 N C -1.084 174.371 175.510 -0.092 0.000 1.133 484 N CA -0.620 52.336 53.050 -0.158 0.000 0.853 484 N CB 1.393 39.828 38.487 -0.086 0.000 1.241 484 N HN 0.695 nan 8.380 nan 0.000 0.502 485 M N 1.394 120.939 119.600 -0.093 0.000 2.303 485 M HA 0.098 4.578 4.480 -0.000 0.000 0.350 485 M C 0.946 177.286 176.300 0.066 0.000 1.518 485 M CA 1.048 56.359 55.300 0.019 0.000 1.070 485 M CB -0.964 31.629 32.600 -0.012 0.000 1.910 485 M HN 0.929 nan 8.290 nan 0.000 0.458 486 G N 3.095 112.010 108.800 0.192 0.000 2.211 486 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.201 486 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.201 486 G C 0.016 174.796 174.900 -0.201 0.000 0.997 486 G CA 0.296 45.244 45.100 -0.254 0.000 0.652 486 G HN 1.000 nan 8.290 nan 0.000 0.500 487 S N -0.084 115.697 115.700 0.135 0.000 2.704 487 S HA 0.782 5.252 4.470 -0.000 0.000 0.305 487 S C -0.947 173.867 174.600 0.358 0.000 1.107 487 S CA -0.544 57.752 58.200 0.160 0.000 0.993 487 S CB 2.613 65.890 63.200 0.128 0.000 1.110 487 S HN 0.076 nan 8.310 nan 0.000 0.534 488 D N 0.712 121.251 120.400 0.232 0.000 2.229 488 D HA 0.729 5.369 4.640 -0.000 0.000 0.249 488 D C -0.510 175.930 176.300 0.233 0.000 1.027 488 D CA -0.002 54.087 54.000 0.150 0.000 0.923 488 D CB 1.219 42.042 40.800 0.038 0.000 1.174 488 D HN 0.615 nan 8.370 nan 0.000 0.443 489 F N -1.890 118.083 119.950 0.039 0.000 2.719 489 F HA 0.413 4.940 4.527 -0.000 0.000 0.309 489 F C -1.365 174.392 175.800 -0.072 0.000 1.138 489 F CA -1.129 56.863 58.000 -0.013 0.000 0.943 489 F CB 1.247 40.233 39.000 -0.024 0.000 1.304 489 F HN -0.088 nan 8.300 nan 0.000 0.445 490 D N 1.835 122.265 120.400 0.050 0.000 2.198 490 D HA 0.619 5.259 4.640 -0.000 0.000 0.247 490 D C -0.414 175.680 176.300 -0.343 0.000 1.010 490 D CA -0.224 53.625 54.000 -0.252 0.000 0.880 490 D CB 2.565 43.154 40.800 -0.353 0.000 1.209 490 D HN 0.675 nan 8.370 nan 0.000 0.451 491 V N -1.819 117.762 119.914 -0.555 0.000 3.155 491 V HA 0.811 4.931 4.120 -0.000 0.000 0.313 491 V C -1.111 174.505 176.094 -0.798 0.000 1.162 491 V CA -0.851 61.202 62.300 -0.413 0.000 1.048 491 V CB 1.738 33.540 31.823 -0.036 0.000 1.092 491 V HN 0.361 nan 8.190 nan 0.000 0.447 492 F N -0.293 119.702 119.950 0.075 0.000 2.588 492 F HA 0.848 5.375 4.527 -0.000 0.000 0.310 492 F C 0.302 176.148 175.800 0.077 0.000 1.082 492 F CA -0.571 57.473 58.000 0.074 0.000 0.929 492 F CB 2.080 41.139 39.000 0.097 0.000 1.254 492 F HN 0.830 nan 8.300 nan 0.000 0.455 493 A N 1.190 124.146 122.820 0.225 0.000 2.269 493 A HA 0.478 4.798 4.320 -0.000 0.000 0.302 493 A C -1.349 176.348 177.584 0.189 0.000 1.266 493 A CA -0.299 51.829 52.037 0.151 0.000 0.894 493 A CB -0.355 18.688 19.000 0.072 0.000 1.147 493 A HN 0.844 nan 8.150 nan 0.000 0.537 494 H N 2.598 121.723 119.070 0.091 0.000 2.581 494 H HA 0.585 5.141 4.556 -0.000 0.000 0.308 494 H C -0.686 174.663 175.328 0.035 0.000 1.040 494 H CA -0.276 55.809 56.048 0.061 0.000 1.231 494 H CB 0.390 30.181 29.762 0.048 0.000 1.396 494 H HN 0.575 nan 8.280 nan 0.000 0.467 495 I N 4.420 124.858 120.570 -0.219 0.000 2.392 495 I HA 0.232 4.402 4.170 -0.000 0.000 0.295 495 I C -0.072 175.955 176.117 -0.150 0.000 0.985 495 I CA -0.372 60.854 61.300 -0.123 0.000 1.221 495 I CB 1.814 39.760 38.000 -0.090 0.000 1.366 495 I HN 0.548 nan 8.210 nan 0.000 0.467 496 T N 4.321 118.856 114.554 -0.031 0.000 2.815 496 T HA 0.227 4.577 4.350 -0.000 0.000 0.289 496 T C -0.313 174.398 174.700 0.018 0.000 1.000 496 T CA -0.542 61.564 62.100 0.010 0.000 0.958 496 T CB 0.599 69.510 68.868 0.073 0.000 0.944 496 T HN 0.438 nan 8.240 nan 0.000 0.442 497 N N 3.348 122.060 118.700 0.020 0.000 2.816 497 N HA 0.157 4.897 4.740 -0.000 0.000 0.236 497 N C -0.490 175.019 175.510 -0.002 0.000 1.076 497 N CA -0.581 52.486 53.050 0.028 0.000 0.902 497 N CB 0.317 38.826 38.487 0.037 0.000 1.149 497 N HN 0.304 nan 8.380 nan 0.000 0.506 498 N N 2.098 120.818 118.700 0.033 0.000 3.331 498 N HA 0.236 4.976 4.740 -0.000 0.000 0.303 498 N C -1.283 174.203 175.510 -0.041 0.000 1.326 498 N CA 0.122 53.232 53.050 0.099 0.000 1.207 498 N CB 0.069 38.644 38.487 0.147 0.000 1.477 498 N HN 0.362 nan 8.380 nan 0.000 0.541 499 T N -1.142 113.124 114.554 -0.479 0.000 2.843 499 T HA 0.513 4.863 4.350 -0.000 0.000 0.302 499 T C 0.694 174.584 174.700 -1.350 0.000 1.232 499 T CA -0.376 61.347 62.100 -0.629 0.000 1.009 499 T CB 1.469 70.201 68.868 -0.227 0.000 1.254 499 T HN 0.117 nan 8.240 nan 0.000 0.504 500 A N 0.466 122.787 122.820 -0.832 0.000 2.132 500 A HA 0.310 4.630 4.320 -0.000 0.000 0.213 500 A C 0.676 178.020 177.584 -0.400 0.000 1.154 500 A CA 0.744 52.438 52.037 -0.573 0.000 0.753 500 A CB -0.213 18.730 19.000 -0.094 0.000 0.826 500 A HN 0.715 nan 8.150 nan 0.000 0.469 501 E N 0.853 120.778 120.200 -0.459 0.000 2.349 501 E HA 0.357 4.707 4.350 -0.000 0.000 0.265 501 E C -0.193 176.037 176.600 -0.616 0.000 1.064 501 E CA -0.214 55.875 56.400 -0.517 0.000 0.886 501 E CB 0.632 29.928 29.700 -0.675 0.000 1.036 501 E HN 0.593 nan 8.360 nan 0.000 0.413 502 E N 1.951 121.874 120.200 -0.462 0.000 2.151 502 E HA 0.282 4.632 4.350 -0.000 0.000 0.275 502 E C -0.998 175.408 176.600 -0.323 0.000 0.936 502 E CA -0.618 55.585 56.400 -0.328 0.000 0.777 502 E CB 0.769 30.373 29.700 -0.160 0.000 1.108 502 E HN 0.404 nan 8.360 nan 0.000 0.401 503 Y N 1.507 121.762 120.300 -0.076 0.000 2.419 503 Y HA 0.445 4.995 4.550 -0.000 0.000 0.328 503 Y C -0.095 175.771 175.900 -0.057 0.000 1.162 503 Y CA -1.214 56.845 58.100 -0.069 0.000 1.174 503 Y CB 1.980 40.393 38.460 -0.079 0.000 1.228 503 Y HN 0.305 nan 8.280 nan 0.000 0.473 504 V N 2.685 122.678 119.914 0.131 0.000 2.409 504 V HA 0.372 4.492 4.120 -0.000 0.000 0.290 504 V C -0.640 175.468 176.094 0.023 0.000 1.017 504 V CA -0.740 61.592 62.300 0.053 0.000 0.841 504 V CB 0.469 32.309 31.823 0.029 0.000 1.003 504 V HN 0.912 nan 8.190 nan 0.000 0.426 505 C N 4.170 123.470 119.300 0.001 0.000 3.119 505 C HA 0.844 5.304 4.460 -0.000 0.000 0.359 505 C C -0.042 174.932 174.990 -0.027 0.000 1.486 505 C CA -1.191 57.802 59.018 -0.042 0.000 1.556 505 C CB 2.143 29.835 27.740 -0.081 0.000 2.063 505 C HN 0.959 nan 8.230 nan 0.000 0.454 506 R N 0.482 120.955 120.500 -0.045 0.000 2.599 506 R HA 0.842 5.182 4.340 -0.000 0.000 0.295 506 R C -1.729 174.551 176.300 -0.033 0.000 0.963 506 R CA -0.514 55.577 56.100 -0.015 0.000 0.883 506 R CB 1.236 31.529 30.300 -0.012 0.000 1.171 506 R HN 0.565 nan 8.270 nan 0.000 0.450 507 L N 3.565 124.784 121.223 -0.006 0.000 2.349 507 L HA 0.421 4.761 4.340 -0.000 0.000 0.278 507 L C -1.595 175.243 176.870 -0.052 0.000 0.996 507 L CA -0.933 53.886 54.840 -0.036 0.000 0.825 507 L CB 1.877 43.925 42.059 -0.018 0.000 1.243 507 L HN 0.581 nan 8.230 nan 0.000 0.412 508 L N 6.427 127.540 121.223 -0.182 0.000 2.276 508 L HA 0.487 4.827 4.340 -0.000 0.000 0.286 508 L C -0.605 176.025 176.870 -0.400 0.000 1.024 508 L CA -0.506 54.072 54.840 -0.437 0.000 0.826 508 L CB 1.047 42.543 42.059 -0.938 0.000 1.211 508 L HN 0.493 nan 8.230 nan 0.000 0.422 509 L N 3.469 124.559 121.223 -0.222 0.000 2.317 509 L HA 0.649 4.989 4.340 -0.000 0.000 0.281 509 L C -0.170 176.696 176.870 -0.007 0.000 1.024 509 L CA -0.170 54.611 54.840 -0.097 0.000 0.810 509 L CB 1.763 43.806 42.059 -0.027 0.000 1.240 509 L HN 0.752 nan 8.230 nan 0.000 0.427 510 C N 3.240 122.554 119.300 0.024 0.000 2.811 510 C HA 0.900 5.360 4.460 -0.000 0.000 0.352 510 C C -0.817 174.216 174.990 0.071 0.000 1.098 510 C CA -0.468 58.626 59.018 0.127 0.000 1.295 510 C CB 0.593 28.480 27.740 0.245 0.000 1.758 510 C HN 0.995 nan 8.230 nan 0.000 0.488 511 A N 6.476 129.333 122.820 0.062 0.000 2.343 511 A HA 0.996 5.316 4.320 -0.000 0.000 0.316 511 A C -0.601 177.011 177.584 0.048 0.000 1.104 511 A CA -0.553 51.509 52.037 0.041 0.000 0.768 511 A CB 0.926 19.935 19.000 0.015 0.000 1.213 511 A HN 1.095 nan 8.150 nan 0.000 0.456 512 R N 0.922 121.449 120.500 0.045 0.000 2.698 512 R HA 0.644 4.984 4.340 -0.000 0.000 0.275 512 R C -0.559 175.765 176.300 0.040 0.000 1.001 512 R CA -0.232 55.894 56.100 0.044 0.000 0.896 512 R CB 0.753 31.078 30.300 0.042 0.000 1.218 512 R HN 0.677 nan 8.270 nan 0.000 0.462 513 T N -0.343 114.239 114.554 0.046 0.000 2.906 513 T HA 0.346 4.696 4.350 -0.000 0.000 0.320 513 T C 0.592 175.313 174.700 0.035 0.000 1.088 513 T CA -0.334 61.792 62.100 0.044 0.000 1.120 513 T CB 0.680 69.585 68.868 0.061 0.000 1.000 513 T HN 0.516 nan 8.240 nan 0.000 0.550 514 V N -0.437 119.501 119.914 0.039 0.000 3.012 514 V HA 0.677 4.797 4.120 -0.000 0.000 0.307 514 V C 0.178 176.299 176.094 0.044 0.000 1.166 514 V CA -1.236 61.079 62.300 0.025 0.000 0.974 514 V CB 1.552 33.386 31.823 0.018 0.000 1.040 514 V HN 1.246 nan 8.190 nan 0.000 0.428 515 S N 1.628 117.336 115.700 0.012 0.000 2.614 515 S HA 0.354 4.824 4.470 -0.000 0.000 0.265 515 S C 0.839 175.439 174.600 -0.000 0.000 1.303 515 S CA 0.225 58.453 58.200 0.046 0.000 1.000 515 S CB 0.442 63.642 63.200 -0.001 0.000 0.935 515 S HN 1.373 nan 8.310 nan 0.000 0.551 516 Y N 1.220 121.463 120.300 -0.094 0.000 2.333 516 Y HA -0.063 4.487 4.550 -0.000 0.000 0.290 516 Y C 1.506 177.161 175.900 -0.409 0.000 1.144 516 Y CA 1.361 59.315 58.100 -0.242 0.000 1.228 516 Y CB -0.597 37.616 38.460 -0.411 0.000 0.985 516 Y HN 0.705 nan 8.280 nan 0.000 0.542 517 N N 0.232 118.152 118.700 -1.301 0.000 2.370 517 N HA 0.173 4.913 4.740 -0.000 0.000 0.198 517 N C 1.335 176.143 175.510 -1.169 0.000 1.156 517 N CA 0.779 52.709 53.050 -1.866 0.000 0.839 517 N CB 0.330 37.262 38.487 -2.591 0.000 0.989 517 N HN 0.670 nan 8.380 nan 0.000 0.468 518 G N 0.396 108.868 108.800 -0.548 0.000 2.238 518 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.217 518 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.217 518 G C -0.098 174.691 174.900 -0.184 0.000 0.996 518 G CA -0.109 44.821 45.100 -0.283 0.000 0.632 518 G HN 0.344 nan 8.290 nan 0.000 0.503 519 I N 2.831 123.279 120.570 -0.203 0.000 2.578 519 I HA 0.244 4.414 4.170 -0.000 0.000 0.286 519 I C 0.916 176.999 176.117 -0.057 0.000 1.126 519 I CA -0.069 61.166 61.300 -0.108 0.000 1.380 519 I CB 0.428 38.375 38.000 -0.089 0.000 1.408 519 I HN 0.046 nan 8.210 nan 0.000 0.532 520 L N 6.595 127.796 121.223 -0.037 0.000 2.367 520 L HA 0.386 4.726 4.340 -0.000 0.000 0.275 520 L C 1.065 177.934 176.870 -0.001 0.000 1.129 520 L CA -0.114 54.718 54.840 -0.013 0.000 0.839 520 L CB 0.588 42.643 42.059 -0.008 0.000 1.133 520 L HN 0.695 nan 8.230 nan 0.000 0.453 521 G N 3.018 111.823 108.800 0.009 0.000 2.568 521 G HA2 0.567 4.527 3.960 -0.000 0.000 0.293 521 G HA3 0.567 4.527 3.960 -0.000 0.000 0.293 521 G C -2.620 172.289 174.900 0.016 0.000 1.347 521 G CA -1.127 43.980 45.100 0.013 0.000 1.039 521 G HN 0.381 nan 8.290 nan 0.000 0.523 522 P HA 0.112 nan 4.420 nan 0.000 0.269 522 P C -0.214 177.099 177.300 0.020 0.000 1.215 522 P CA -0.072 63.034 63.100 0.011 0.000 0.780 522 P CB 0.756 32.455 31.700 -0.001 0.000 0.898 523 E N 0.359 120.571 120.200 0.020 0.000 2.481 523 E HA -0.008 4.342 4.350 -0.000 0.000 0.263 523 E C 0.280 176.893 176.600 0.023 0.000 0.992 523 E CA 0.353 56.772 56.400 0.031 0.000 0.938 523 E CB -0.037 29.680 29.700 0.029 0.000 0.933 523 E HN 0.541 nan 8.360 nan 0.000 0.453 524 C N 0.650 119.969 119.300 0.031 0.000 3.245 524 C HA 0.686 5.146 4.460 -0.000 0.000 0.254 524 C C 0.319 175.311 174.990 0.004 0.000 1.931 524 C CA -0.157 58.877 59.018 0.026 0.000 1.726 524 C CB -0.641 27.149 27.740 0.083 0.000 3.348 524 C HN 0.732 nan 8.230 nan 0.000 0.458 525 G N 1.148 109.950 108.800 0.003 0.000 2.046 525 G HA2 0.504 4.464 3.960 -0.000 0.000 0.245 525 G HA3 0.504 4.464 3.960 -0.000 0.000 0.245 525 G C -0.901 174.015 174.900 0.027 0.000 1.723 525 G CA 0.356 45.447 45.100 -0.015 0.000 0.909 525 G HN 1.094 nan 8.290 nan 0.000 0.737 526 T N -1.294 113.283 114.554 0.039 0.000 2.903 526 T HA 0.861 5.211 4.350 -0.000 0.000 0.299 526 T C -0.769 173.979 174.700 0.079 0.000 1.093 526 T CA -1.004 61.166 62.100 0.117 0.000 1.002 526 T CB 2.941 71.920 68.868 0.185 0.000 1.127 526 T HN 0.935 nan 8.240 nan 0.000 0.488 527 K N 1.131 121.606 120.400 0.124 0.000 2.569 527 K HA 0.522 4.842 4.320 -0.000 0.000 0.259 527 K C -2.035 174.634 176.600 0.115 0.000 0.932 527 K CA -0.901 55.402 56.287 0.027 0.000 0.833 527 K CB 1.613 34.100 32.500 -0.022 0.000 1.340 527 K HN 0.845 nan 8.250 nan 0.000 0.429 528 Y N 1.783 122.149 120.300 0.111 0.000 2.545 528 Y HA 0.748 5.298 4.550 -0.000 0.000 0.348 528 Y C -1.715 174.217 175.900 0.053 0.000 1.002 528 Y CA -1.353 56.803 58.100 0.094 0.000 1.039 528 Y CB 1.432 40.016 38.460 0.206 0.000 1.271 528 Y HN 0.336 nan 8.280 nan 0.000 0.467 529 L N 4.257 125.654 121.223 0.291 0.000 2.406 529 L HA 0.407 4.747 4.340 -0.000 0.000 0.272 529 L C -0.105 176.885 176.870 0.200 0.000 0.980 529 L CA -0.539 54.418 54.840 0.194 0.000 0.831 529 L CB 2.285 44.391 42.059 0.079 0.000 1.253 529 L HN 0.849 nan 8.230 nan 0.000 0.406 530 L N 2.115 123.464 121.223 0.210 0.000 2.554 530 L HA 0.232 4.572 4.340 -0.000 0.000 0.225 530 L C 0.692 177.600 176.870 0.064 0.000 1.104 530 L CA 0.427 55.337 54.840 0.117 0.000 0.866 530 L CB 0.114 42.233 42.059 0.101 0.000 1.047 530 L HN 0.603 nan 8.230 nan 0.000 0.468 531 N N 0.572 119.310 118.700 0.063 0.000 2.642 531 N HA 0.212 4.952 4.740 -0.000 0.000 0.308 531 N C -0.671 174.857 175.510 0.030 0.000 1.914 531 N CA -0.080 52.992 53.050 0.038 0.000 0.893 531 N CB 1.354 39.862 38.487 0.035 0.000 1.322 531 N HN 0.121 nan 8.380 nan 0.000 0.490 532 L N 2.001 123.240 121.223 0.027 0.000 2.530 532 L HA 0.102 4.442 4.340 -0.000 0.000 0.273 532 L C -0.020 176.860 176.870 0.018 0.000 1.141 532 L CA 0.642 55.493 54.840 0.019 0.000 0.905 532 L CB 0.093 42.158 42.059 0.010 0.000 1.202 532 L HN 0.104 nan 8.230 nan 0.000 0.473 533 T N 5.686 120.250 114.554 0.015 0.000 2.728 533 T HA 0.401 4.751 4.350 -0.000 0.000 0.296 533 T C 0.029 174.737 174.700 0.013 0.000 0.940 533 T CA -0.476 61.633 62.100 0.015 0.000 1.013 533 T CB 0.683 69.555 68.868 0.007 0.000 0.912 533 T HN 0.362 nan 8.240 nan 0.000 0.484 534 L N 3.902 125.143 121.223 0.029 0.000 2.262 534 L HA 0.353 4.693 4.340 -0.000 0.000 0.288 534 L C 0.637 177.510 176.870 0.004 0.000 1.035 534 L CA -0.919 53.938 54.840 0.027 0.000 0.820 534 L CB 0.750 42.851 42.059 0.070 0.000 1.204 534 L HN 0.523 nan 8.230 nan 0.000 0.424 535 E N 4.812 125.003 120.200 -0.015 0.000 2.390 535 E HA 0.214 4.564 4.350 -0.000 0.000 0.261 535 E C -2.265 174.297 176.600 -0.064 0.000 1.076 535 E CA -1.780 54.598 56.400 -0.036 0.000 0.905 535 E CB 0.288 29.979 29.700 -0.014 0.000 0.984 535 E HN 0.279 nan 8.360 nan 0.000 0.427 536 P HA -0.020 nan 4.420 nan 0.000 0.268 536 P C -0.258 176.995 177.300 -0.078 0.000 1.205 536 P CA 0.015 62.984 63.100 -0.218 0.000 0.771 536 P CB 0.074 31.638 31.700 -0.226 0.000 0.858 537 F N -0.884 119.061 119.950 -0.009 0.000 3.004 537 F HA -0.237 4.290 4.527 -0.000 0.000 0.264 537 F C 0.354 176.155 175.800 0.002 0.000 0.979 537 F CA 0.626 58.626 58.000 0.001 0.000 0.896 537 F CB -2.021 36.977 39.000 -0.004 0.000 0.813 537 F HN 0.214 nan 8.300 nan 0.000 0.804 538 S N -1.262 114.495 115.700 0.096 0.000 2.732 538 S HA 0.724 5.194 4.470 -0.000 0.000 0.293 538 S C -0.539 174.075 174.600 0.023 0.000 1.159 538 S CA -1.211 57.026 58.200 0.061 0.000 0.847 538 S CB 2.825 66.043 63.200 0.031 0.000 1.169 538 S HN 0.236 nan 8.310 nan 0.000 0.501 539 E N 0.496 120.692 120.200 -0.007 0.000 2.288 539 E HA 0.542 4.892 4.350 -0.000 0.000 0.268 539 E C -1.186 175.326 176.600 -0.146 0.000 0.885 539 E CA -0.731 55.616 56.400 -0.089 0.000 0.767 539 E CB 2.489 32.166 29.700 -0.038 0.000 1.220 539 E HN 0.311 nan 8.360 nan 0.000 0.427 540 K N 0.794 121.045 120.400 -0.248 0.000 2.375 540 K HA 0.462 4.782 4.320 -0.000 0.000 0.249 540 K C -1.429 175.005 176.600 -0.276 0.000 0.942 540 K CA -0.555 55.624 56.287 -0.181 0.000 0.806 540 K CB 2.079 34.524 32.500 -0.091 0.000 1.227 540 K HN 0.353 nan 8.250 nan 0.000 0.430 541 S N 2.699 118.328 115.700 -0.117 0.000 2.707 541 S HA 0.409 4.879 4.470 -0.000 0.000 0.312 541 S C -1.372 173.299 174.600 0.120 0.000 1.116 541 S CA -0.615 57.589 58.200 0.006 0.000 1.078 541 S CB 0.942 64.168 63.200 0.043 0.000 0.997 541 S HN 0.307 nan 8.310 nan 0.000 0.477 542 V N 8.310 128.317 119.914 0.155 0.000 2.370 542 V HA 0.536 4.656 4.120 -0.000 0.000 0.283 542 V C -1.980 174.233 176.094 0.198 0.000 1.023 542 V CA -1.792 60.594 62.300 0.144 0.000 0.857 542 V CB 1.420 33.282 31.823 0.065 0.000 0.985 542 V HN 0.712 nan 8.190 nan 0.000 0.443 543 P HA 0.417 nan 4.420 nan 0.000 0.281 543 P C -1.171 176.057 177.300 -0.121 0.000 1.249 543 P CA -0.573 62.499 63.100 -0.047 0.000 0.810 543 P CB 2.179 33.901 31.700 0.036 0.000 1.008 544 L N 3.350 124.430 121.223 -0.239 0.000 2.441 544 L HA 0.396 4.736 4.340 -0.000 0.000 0.270 544 L C -1.064 175.669 176.870 -0.227 0.000 0.973 544 L CA -0.775 53.964 54.840 -0.168 0.000 0.842 544 L CB 1.119 43.103 42.059 -0.126 0.000 1.239 544 L HN 0.444 nan 8.230 nan 0.000 0.406 545 C N 6.692 125.882 119.300 -0.185 0.000 2.482 545 C HA 0.561 5.021 4.460 -0.000 0.000 0.378 545 C C 0.257 175.095 174.990 -0.253 0.000 1.284 545 C CA -0.581 58.310 59.018 -0.213 0.000 1.826 545 C CB -1.231 26.424 27.740 -0.141 0.000 2.473 545 C HN 0.724 nan 8.230 nan 0.000 0.562 546 I N 7.768 128.075 120.570 -0.438 0.000 2.354 546 I HA 0.327 4.497 4.170 -0.000 0.000 0.286 546 I C -0.249 175.640 176.117 -0.379 0.000 1.007 546 I CA -0.108 60.910 61.300 -0.470 0.000 1.167 546 I CB 0.918 38.452 38.000 -0.777 0.000 1.320 546 I HN 0.489 nan 8.210 nan 0.000 0.458 547 L N 5.913 127.042 121.223 -0.158 0.000 2.307 547 L HA 0.249 4.589 4.340 -0.000 0.000 0.282 547 L C 0.908 177.618 176.870 -0.266 0.000 1.051 547 L CA -0.540 54.228 54.840 -0.120 0.000 0.804 547 L CB 1.122 43.111 42.059 -0.117 0.000 1.197 547 L HN 0.541 nan 8.230 nan 0.000 0.431 548 Y N 1.771 121.794 120.300 -0.462 0.000 2.114 548 Y HA -0.295 4.255 4.550 -0.000 0.000 0.282 548 Y C 2.194 177.671 175.900 -0.706 0.000 1.165 548 Y CA 1.935 59.453 58.100 -0.970 0.000 1.148 548 Y CB 0.152 38.379 38.460 -0.387 0.000 0.972 548 Y HN 0.628 nan 8.280 nan 0.000 0.504 549 E N 0.319 120.249 120.200 -0.450 0.000 2.171 549 E HA -0.184 4.166 4.350 -0.000 0.000 0.197 549 E C 1.893 178.262 176.600 -0.384 0.000 0.997 549 E CA 1.242 57.398 56.400 -0.407 0.000 0.810 549 E CB -0.136 29.459 29.700 -0.176 0.000 0.738 549 E HN 0.431 nan 8.360 nan 0.000 0.467 550 K N -0.027 120.173 120.400 -0.332 0.000 2.361 550 K HA -0.043 4.277 4.320 -0.000 0.000 0.196 550 K C 1.701 178.208 176.600 -0.154 0.000 1.039 550 K CA 0.454 56.621 56.287 -0.200 0.000 1.001 550 K CB 0.047 32.484 32.500 -0.105 0.000 0.795 550 K HN 0.350 nan 8.250 nan 0.000 0.495 551 Y N -0.786 119.421 120.300 -0.155 0.000 2.453 551 Y HA 0.275 4.825 4.550 -0.000 0.000 0.247 551 Y C 1.613 177.424 175.900 -0.147 0.000 1.124 551 Y CA -0.691 57.346 58.100 -0.105 0.000 1.243 551 Y CB -0.359 38.083 38.460 -0.029 0.000 1.213 551 Y HN -0.092 nan 8.280 nan 0.000 0.523 552 R N 0.594 120.796 120.500 -0.498 0.000 2.096 552 R HA -0.126 4.214 4.340 -0.000 0.000 0.235 552 R C 0.705 176.911 176.300 -0.158 0.000 1.127 552 R CA 1.905 57.750 56.100 -0.425 0.000 0.968 552 R CB -0.628 29.063 30.300 -1.015 0.000 0.861 552 R HN 0.182 nan 8.270 nan 0.000 0.440 553 D N 1.039 121.348 120.400 -0.152 0.000 2.097 553 D HA -0.093 4.547 4.640 -0.000 0.000 0.195 553 D C 1.489 177.777 176.300 -0.020 0.000 0.989 553 D CA 1.441 55.395 54.000 -0.077 0.000 0.827 553 D CB -0.184 40.569 40.800 -0.079 0.000 0.966 553 D HN 0.359 nan 8.370 nan 0.000 0.456 554 C N 0.295 119.599 119.300 0.006 0.000 2.906 554 C HA 0.348 4.808 4.460 -0.000 0.000 0.274 554 C C 0.830 175.857 174.990 0.061 0.000 1.257 554 C CA -1.023 58.011 59.018 0.027 0.000 1.695 554 C CB -0.923 26.828 27.740 0.019 0.000 1.958 554 C HN 0.159 nan 8.230 nan 0.000 0.619 555 L N 3.057 124.339 121.223 0.098 0.000 2.499 555 L HA 0.252 4.592 4.340 -0.000 0.000 0.273 555 L C 1.058 177.990 176.870 0.104 0.000 1.195 555 L CA 0.956 55.864 54.840 0.113 0.000 0.882 555 L CB 0.556 42.719 42.059 0.173 0.000 1.133 555 L HN 0.421 nan 8.230 nan 0.000 0.483 556 T N 0.320 114.938 114.554 0.107 0.000 2.824 556 T HA 0.227 4.577 4.350 -0.000 0.000 0.277 556 T C 0.839 175.621 174.700 0.138 0.000 0.975 556 T CA -0.326 61.855 62.100 0.136 0.000 0.966 556 T CB 0.604 69.572 68.868 0.167 0.000 1.054 556 T HN 0.716 nan 8.240 nan 0.000 0.533 557 E N 0.012 120.306 120.200 0.157 0.000 2.510 557 E HA -0.018 4.332 4.350 -0.000 0.000 0.202 557 E C 1.724 178.406 176.600 0.138 0.000 1.072 557 E CA 0.380 56.860 56.400 0.134 0.000 0.883 557 E CB -0.103 29.673 29.700 0.127 0.000 0.818 557 E HN 0.533 nan 8.360 nan 0.000 0.548 558 S N 0.667 116.466 115.700 0.164 0.000 2.558 558 S HA -0.011 4.459 4.470 -0.000 0.000 0.217 558 S C 0.093 174.843 174.600 0.249 0.000 0.975 558 S CA -0.131 58.195 58.200 0.211 0.000 0.912 558 S CB 0.068 63.415 63.200 0.246 0.000 0.776 558 S HN 0.311 nan 8.310 nan 0.000 0.526 559 N N 1.225 119.991 118.700 0.110 0.000 2.725 559 N HA -0.147 4.593 4.740 -0.000 0.000 0.251 559 N C -1.103 174.386 175.510 -0.036 0.000 1.031 559 N CA 0.590 53.607 53.050 -0.055 0.000 0.720 559 N CB -1.785 36.504 38.487 -0.331 0.000 0.930 559 N HN 0.422 nan 8.380 nan 0.000 0.543 560 L N -0.006 121.259 121.223 0.071 0.000 2.329 560 L HA 0.646 4.986 4.340 -0.000 0.000 0.279 560 L C 0.481 177.371 176.870 0.033 0.000 1.014 560 L CA -0.668 54.228 54.840 0.093 0.000 0.814 560 L CB 1.610 43.775 42.059 0.176 0.000 1.257 560 L HN 0.022 nan 8.230 nan 0.000 0.424 561 I N 2.632 123.215 120.570 0.021 0.000 2.582 561 I HA 0.348 4.518 4.170 -0.000 0.000 0.292 561 I C -0.544 175.600 176.117 0.046 0.000 1.066 561 I CA -0.666 60.645 61.300 0.019 0.000 1.053 561 I CB 2.542 40.541 38.000 -0.002 0.000 1.241 561 I HN 0.529 nan 8.210 nan 0.000 0.421 562 K N 5.959 126.385 120.400 0.044 0.000 2.339 562 K HA 0.581 4.901 4.320 -0.000 0.000 0.264 562 K C -1.447 175.177 176.600 0.039 0.000 0.986 562 K CA -0.454 55.859 56.287 0.044 0.000 0.866 562 K CB 1.483 34.003 32.500 0.033 0.000 1.103 562 K HN 0.393 nan 8.250 nan 0.000 0.441 563 V N 4.789 124.728 119.914 0.042 0.000 2.509 563 V HA 0.432 4.552 4.120 -0.000 0.000 0.284 563 V C 0.054 176.163 176.094 0.025 0.000 1.047 563 V CA -0.625 61.696 62.300 0.034 0.000 0.952 563 V CB 1.324 33.171 31.823 0.039 0.000 0.988 563 V HN 0.769 nan 8.190 nan 0.000 0.469 564 R N 2.910 123.419 120.500 0.014 0.000 2.686 564 R HA 0.819 5.159 4.340 -0.000 0.000 0.283 564 R C -1.199 175.085 176.300 -0.026 0.000 0.978 564 R CA -0.470 55.629 56.100 -0.002 0.000 0.897 564 R CB 2.032 32.332 30.300 -0.000 0.000 1.192 564 R HN 0.819 nan 8.270 nan 0.000 0.457 565 A N 4.085 126.886 122.820 -0.033 0.000 2.408 565 A HA 0.532 4.852 4.320 -0.000 0.000 0.295 565 A C -2.003 175.547 177.584 -0.056 0.000 1.040 565 A CA -0.607 51.397 52.037 -0.054 0.000 0.707 565 A CB 1.636 20.625 19.000 -0.019 0.000 1.235 565 A HN 0.530 nan 8.150 nan 0.000 0.418 566 L N 2.742 123.909 121.223 -0.095 0.000 2.349 566 L HA 0.782 5.122 4.340 -0.000 0.000 0.278 566 L C -1.470 175.361 176.870 -0.065 0.000 0.996 566 L CA -0.615 54.190 54.840 -0.058 0.000 0.825 566 L CB 1.569 43.594 42.059 -0.056 0.000 1.243 566 L HN 0.696 nan 8.230 nan 0.000 0.412 567 L N 6.380 127.572 121.223 -0.052 0.000 2.305 567 L HA 0.779 5.119 4.340 -0.000 0.000 0.284 567 L C -1.226 175.562 176.870 -0.137 0.000 1.013 567 L CA -0.399 54.389 54.840 -0.087 0.000 0.819 567 L CB 1.801 43.806 42.059 -0.089 0.000 1.227 567 L HN 0.476 nan 8.230 nan 0.000 0.417 568 V N 4.398 124.202 119.914 -0.184 0.000 2.588 568 V HA 0.718 4.838 4.120 -0.000 0.000 0.304 568 V C -0.997 174.909 176.094 -0.313 0.000 1.042 568 V CA -0.403 61.681 62.300 -0.360 0.000 0.877 568 V CB 1.891 33.424 31.823 -0.483 0.000 0.996 568 V HN 0.933 nan 8.190 nan 0.000 0.425 569 E N 9.232 129.209 120.200 -0.372 0.000 2.073 569 E HA 0.530 4.880 4.350 -0.000 0.000 0.269 569 E C -2.032 174.411 176.600 -0.261 0.000 0.917 569 E CA -2.127 54.106 56.400 -0.278 0.000 0.757 569 E CB 1.840 31.331 29.700 -0.348 0.000 1.111 569 E HN 0.496 nan 8.360 nan 0.000 0.410 570 P HA -0.190 nan 4.420 nan 0.000 0.218 570 P C 1.150 178.395 177.300 -0.092 0.000 1.148 570 P CA 0.661 63.679 63.100 -0.137 0.000 0.822 570 P CB 0.307 31.958 31.700 -0.081 0.000 0.784 571 V N 1.259 121.137 119.914 -0.059 0.000 2.214 571 V HA -0.242 3.878 4.120 -0.000 0.000 0.244 571 V C 2.704 178.778 176.094 -0.034 0.000 1.045 571 V CA 2.122 64.408 62.300 -0.023 0.000 0.993 571 V CB -1.140 30.694 31.823 0.018 0.000 0.633 571 V HN -0.022 nan 8.190 nan 0.000 0.449 572 I N 0.048 120.592 120.570 -0.044 0.000 3.001 572 I HA -0.024 4.146 4.170 -0.000 0.000 0.268 572 I C 1.039 177.107 176.117 -0.081 0.000 1.267 572 I CA 0.815 62.090 61.300 -0.042 0.000 1.472 572 I CB -0.577 37.400 38.000 -0.038 0.000 1.089 572 I HN 0.596 nan 8.210 nan 0.000 0.468 573 N N 1.167 119.776 118.700 -0.152 0.000 2.746 573 N HA -0.198 4.542 4.740 -0.000 0.000 0.250 573 N C -0.251 175.074 175.510 -0.309 0.000 1.055 573 N CA 0.664 53.564 53.050 -0.249 0.000 0.699 573 N CB -0.942 37.435 38.487 -0.183 0.000 0.919 573 N HN 0.315 nan 8.380 nan 0.000 0.548 574 S N 0.766 116.245 115.700 -0.369 0.000 2.525 574 S HA 0.649 5.119 4.470 -0.000 0.000 0.290 574 S C -1.030 173.265 174.600 -0.508 0.000 1.152 574 S CA -0.439 57.591 58.200 -0.283 0.000 1.072 574 S CB 0.470 63.546 63.200 -0.206 0.000 1.027 574 S HN 0.274 nan 8.310 nan 0.000 0.500 575 Y N 3.461 123.714 120.300 -0.078 0.000 2.328 575 Y HA 0.565 5.115 4.550 -0.000 0.000 0.333 575 Y C -0.387 175.472 175.900 -0.069 0.000 0.958 575 Y CA -0.842 57.219 58.100 -0.065 0.000 1.167 575 Y CB 1.416 39.860 38.460 -0.026 0.000 1.151 575 Y HN 0.479 nan 8.280 nan 0.000 0.470 576 L N 5.176 126.410 121.223 0.019 0.000 2.305 576 L HA 0.559 4.899 4.340 -0.000 0.000 0.284 576 L C -1.347 175.529 176.870 0.009 0.000 1.013 576 L CA -0.666 54.170 54.840 -0.007 0.000 0.819 576 L CB 1.005 43.030 42.059 -0.056 0.000 1.227 576 L HN 0.651 nan 8.230 nan 0.000 0.417 577 L N 4.549 125.778 121.223 0.009 0.000 2.346 577 L HA 0.922 5.262 4.340 -0.000 0.000 0.276 577 L C -0.967 175.903 176.870 0.000 0.000 1.006 577 L CA -0.558 54.284 54.840 0.004 0.000 0.817 577 L CB 1.854 43.913 42.059 0.001 0.000 1.272 577 L HN 0.788 nan 8.230 nan 0.000 0.421 578 A N 4.278 127.099 122.820 0.001 0.000 2.459 578 A HA 0.723 5.043 4.320 -0.000 0.000 0.296 578 A C -1.321 176.270 177.584 0.012 0.000 1.039 578 A CA -0.544 51.500 52.037 0.011 0.000 0.698 578 A CB 1.722 20.735 19.000 0.021 0.000 1.261 578 A HN 0.771 nan 8.150 nan 0.000 0.405 579 E N 0.552 120.763 120.200 0.018 0.000 2.416 579 E HA 0.743 5.093 4.350 -0.000 0.000 0.273 579 E C -0.869 175.752 176.600 0.036 0.000 0.935 579 E CA -0.953 55.460 56.400 0.021 0.000 0.784 579 E CB 2.953 32.659 29.700 0.010 0.000 1.301 579 E HN 0.605 nan 8.360 nan 0.000 0.454 580 R N 1.192 121.717 120.500 0.043 0.000 2.629 580 R HA 0.198 4.538 4.340 -0.000 0.000 0.266 580 R C -1.858 174.479 176.300 0.062 0.000 1.051 580 R CA -0.548 55.584 56.100 0.054 0.000 0.895 580 R CB 1.503 31.835 30.300 0.054 0.000 1.246 580 R HN 0.504 nan 8.270 nan 0.000 0.459 581 D N 4.137 124.584 120.400 0.079 0.000 2.349 581 D HA 0.252 4.892 4.640 -0.000 0.000 0.232 581 D C -0.397 175.961 176.300 0.097 0.000 1.071 581 D CA -0.425 53.633 54.000 0.097 0.000 0.832 581 D CB 1.682 42.565 40.800 0.138 0.000 1.086 581 D HN 0.139 nan 8.370 nan 0.000 0.504 582 L N 2.326 123.590 121.223 0.068 0.000 2.375 582 L HA 0.249 4.589 4.340 -0.000 0.000 0.271 582 L C -0.373 176.530 176.870 0.055 0.000 1.107 582 L CA -0.623 54.229 54.840 0.020 0.000 0.806 582 L CB 0.365 42.404 42.059 -0.035 0.000 1.146 582 L HN 0.313 nan 8.230 nan 0.000 0.447 583 Y N 3.312 123.540 120.300 -0.120 0.000 2.328 583 Y HA 0.542 5.092 4.550 -0.000 0.000 0.333 583 Y C -0.851 174.908 175.900 -0.235 0.000 0.958 583 Y CA -0.867 57.185 58.100 -0.081 0.000 1.167 583 Y CB 0.881 39.395 38.460 0.089 0.000 1.151 583 Y HN 0.387 nan 8.280 nan 0.000 0.470 584 L N 5.581 126.314 121.223 -0.818 0.000 2.290 584 L HA 0.298 4.638 4.340 -0.000 0.000 0.284 584 L C 0.068 176.408 176.870 -0.883 0.000 1.078 584 L CA -0.542 53.865 54.840 -0.722 0.000 0.815 584 L CB 1.008 42.767 42.059 -0.499 0.000 1.162 584 L HN 0.635 nan 8.230 nan 0.000 0.435 585 E N 2.919 122.826 120.200 -0.488 0.000 2.338 585 E HA 0.113 4.463 4.350 -0.000 0.000 0.272 585 E C -0.434 176.093 176.600 -0.122 0.000 1.029 585 E CA -0.220 56.067 56.400 -0.189 0.000 0.872 585 E CB 0.660 30.342 29.700 -0.029 0.000 1.015 585 E HN 0.390 nan 8.360 nan 0.000 0.417 586 N N 3.942 122.634 118.700 -0.014 0.000 2.463 586 N HA 0.339 5.079 4.740 -0.000 0.000 0.270 586 N C -2.349 173.165 175.510 0.007 0.000 1.205 586 N CA -1.348 51.703 53.050 0.000 0.000 0.974 586 N CB 0.443 38.961 38.487 0.052 0.000 1.197 586 N HN 0.432 nan 8.380 nan 0.000 0.504 587 P HA 0.051 nan 4.420 nan 0.000 0.272 587 P C -0.332 176.960 177.300 -0.014 0.000 1.223 587 P CA -0.059 63.020 63.100 -0.035 0.000 0.784 587 P CB 0.946 32.597 31.700 -0.083 0.000 0.923 588 E N 1.393 121.587 120.200 -0.010 0.000 2.366 588 E HA 0.215 4.565 4.350 -0.000 0.000 0.266 588 E C -0.517 176.079 176.600 -0.006 0.000 1.051 588 E CA -0.509 55.891 56.400 0.001 0.000 0.884 588 E CB 0.361 30.056 29.700 -0.008 0.000 1.006 588 E HN 0.348 nan 8.360 nan 0.000 0.417 589 I N 4.877 125.456 120.570 0.015 0.000 2.307 589 I HA 0.147 4.317 4.170 -0.000 0.000 0.289 589 I C -0.093 176.014 176.117 -0.016 0.000 1.021 589 I CA -0.832 60.488 61.300 0.034 0.000 1.224 589 I CB 0.949 39.019 38.000 0.116 0.000 1.376 589 I HN 0.268 nan 8.210 nan 0.000 0.470 590 K N 7.767 128.146 120.400 -0.035 0.000 2.350 590 K HA 0.465 4.785 4.320 -0.000 0.000 0.279 590 K C -0.463 176.091 176.600 -0.077 0.000 1.027 590 K CA -0.060 56.191 56.287 -0.060 0.000 0.969 590 K CB 1.263 33.729 32.500 -0.056 0.000 0.954 590 K HN 0.539 nan 8.250 nan 0.000 0.474 591 I N 3.453 123.973 120.570 -0.082 0.000 2.476 591 I HA 0.254 4.424 4.170 -0.000 0.000 0.281 591 I C -0.102 175.972 176.117 -0.071 0.000 1.040 591 I CA -0.600 60.650 61.300 -0.083 0.000 1.094 591 I CB 1.459 39.411 38.000 -0.081 0.000 1.219 591 I HN 0.261 nan 8.210 nan 0.000 0.450 592 R N 5.672 126.131 120.500 -0.067 0.000 2.368 592 R HA 0.580 4.920 4.340 -0.000 0.000 0.302 592 R C -0.712 175.563 176.300 -0.042 0.000 1.002 592 R CA -0.729 55.340 56.100 -0.051 0.000 0.929 592 R CB 1.734 32.005 30.300 -0.048 0.000 1.073 592 R HN 0.409 nan 8.270 nan 0.000 0.464 593 I N 5.615 126.167 120.570 -0.029 0.000 2.330 593 I HA 0.199 4.369 4.170 -0.000 0.000 0.286 593 I C -0.161 175.947 176.117 -0.014 0.000 1.025 593 I CA -0.372 60.917 61.300 -0.018 0.000 1.197 593 I CB 0.829 38.824 38.000 -0.007 0.000 1.358 593 I HN 0.453 nan 8.210 nan 0.000 0.467 594 L N 5.954 127.168 121.223 -0.015 0.000 2.290 594 L HA 0.732 5.072 4.340 -0.000 0.000 0.284 594 L C 0.837 177.704 176.870 -0.005 0.000 1.078 594 L CA -0.254 54.579 54.840 -0.012 0.000 0.815 594 L CB 0.891 42.941 42.059 -0.016 0.000 1.162 594 L HN 0.815 nan 8.230 nan 0.000 0.435 595 G N 2.851 111.649 108.800 -0.003 0.000 2.661 595 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.685 595 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.685 595 G C -0.873 174.030 174.900 0.005 0.000 1.298 595 G CA -0.864 44.237 45.100 0.001 0.000 0.855 595 G HN 0.638 nan 8.290 nan 0.000 0.560 596 E N 1.625 121.830 120.200 0.007 0.000 2.229 596 E HA 0.357 4.707 4.350 -0.000 0.000 0.283 596 E C -1.911 174.699 176.600 0.017 0.000 1.030 596 E CA -1.475 54.931 56.400 0.010 0.000 0.836 596 E CB 1.450 31.156 29.700 0.009 0.000 1.068 596 E HN 0.342 nan 8.360 nan 0.000 0.401 597 P HA 0.067 nan 4.420 nan 0.000 0.263 597 P C -1.095 176.227 177.300 0.036 0.000 1.601 597 P CA 0.174 63.294 63.100 0.033 0.000 1.161 597 P CB 0.171 31.891 31.700 0.034 0.000 1.730 598 K N 1.698 122.119 120.400 0.036 0.000 2.375 598 K HA 0.271 4.591 4.320 -0.000 0.000 0.249 598 K C -0.029 176.595 176.600 0.041 0.000 0.942 598 K CA -0.925 55.383 56.287 0.035 0.000 0.806 598 K CB 2.225 34.738 32.500 0.023 0.000 1.227 598 K HN 0.269 nan 8.250 nan 0.000 0.430 599 Q N 2.229 122.055 119.800 0.043 0.000 2.304 599 Q HA -0.111 4.229 4.340 -0.000 0.000 0.301 599 Q C -0.638 175.374 176.000 0.020 0.000 1.063 599 Q CA 0.646 56.472 55.803 0.040 0.000 0.947 599 Q CB 0.307 29.065 28.738 0.034 0.000 1.201 599 Q HN 0.461 nan 8.270 nan 0.000 0.389 600 K N 2.291 122.699 120.400 0.013 0.000 3.974 600 K HA -0.222 4.098 4.320 -0.000 0.000 0.280 600 K C -1.816 174.789 176.600 0.009 0.000 0.949 600 K CA 1.102 57.391 56.287 0.003 0.000 0.817 600 K CB -0.843 31.651 32.500 -0.009 0.000 1.535 600 K HN 0.732 nan 8.250 nan 0.000 0.444 601 R N 1.688 122.197 120.500 0.015 0.000 2.579 601 R HA 0.186 4.526 4.340 -0.000 0.000 0.260 601 R C -0.748 175.561 176.300 0.015 0.000 1.103 601 R CA -1.092 55.016 56.100 0.014 0.000 0.942 601 R CB 0.883 31.192 30.300 0.016 0.000 1.251 601 R HN 0.142 nan 8.270 nan 0.000 0.450 602 K N 2.520 122.927 120.400 0.011 0.000 2.550 602 K HA 0.014 4.334 4.320 -0.000 0.000 0.280 602 K C -0.390 176.217 176.600 0.012 0.000 0.987 602 K CA 0.304 56.597 56.287 0.010 0.000 1.048 602 K CB 0.247 32.752 32.500 0.007 0.000 0.879 602 K HN 0.255 nan 8.250 nan 0.000 0.491 603 L N 3.667 124.897 121.223 0.012 0.000 2.438 603 L HA 0.344 4.684 4.340 -0.000 0.000 0.270 603 L C -1.052 175.821 176.870 0.005 0.000 0.972 603 L CA -0.840 54.008 54.840 0.013 0.000 0.831 603 L CB 2.116 44.189 42.059 0.023 0.000 1.273 603 L HN 0.217 nan 8.230 nan 0.000 0.405 604 V N 3.547 123.460 119.914 -0.001 0.000 2.459 604 V HA 0.790 4.910 4.120 -0.000 0.000 0.295 604 V C 0.239 176.322 176.094 -0.019 0.000 1.029 604 V CA -0.688 61.606 62.300 -0.011 0.000 0.874 604 V CB 1.681 33.495 31.823 -0.014 0.000 0.985 604 V HN 0.890 nan 8.190 nan 0.000 0.438 605 A N 3.750 126.553 122.820 -0.028 0.000 2.287 605 A HA 0.655 4.975 4.320 -0.000 0.000 0.317 605 A C -0.241 177.298 177.584 -0.074 0.000 1.220 605 A CA -0.518 51.493 52.037 -0.042 0.000 0.835 605 A CB 0.682 19.662 19.000 -0.034 0.000 1.180 605 A HN 0.846 nan 8.150 nan 0.000 0.500 606 E N 2.579 122.729 120.200 -0.083 0.000 2.081 606 E HA 0.467 4.817 4.350 -0.000 0.000 0.276 606 E C -0.744 175.758 176.600 -0.164 0.000 0.950 606 E CA -0.490 55.841 56.400 -0.115 0.000 0.776 606 E CB 1.032 30.682 29.700 -0.084 0.000 1.094 606 E HN 0.634 nan 8.360 nan 0.000 0.402 607 V N 1.912 121.657 119.914 -0.281 0.000 2.581 607 V HA 0.856 4.976 4.120 -0.000 0.000 0.303 607 V C -0.425 175.375 176.094 -0.491 0.000 1.041 607 V CA -0.387 61.683 62.300 -0.383 0.000 0.907 607 V CB 1.400 32.909 31.823 -0.524 0.000 0.994 607 V HN 0.668 nan 8.190 nan 0.000 0.442 608 S N 4.508 120.050 115.700 -0.264 0.000 2.596 608 S HA 0.932 5.402 4.470 -0.000 0.000 0.270 608 S C -1.161 173.458 174.600 0.030 0.000 1.155 608 S CA -0.496 57.644 58.200 -0.100 0.000 0.827 608 S CB 1.722 64.879 63.200 -0.073 0.000 1.130 608 S HN 2.325 nan 8.310 nan 0.000 0.467 609 L N -1.570 119.682 121.223 0.048 0.000 2.671 609 L HA 0.764 5.104 4.340 -0.000 0.000 0.259 609 L C -1.216 175.602 176.870 -0.087 0.000 1.021 609 L CA -0.702 54.108 54.840 -0.051 0.000 0.871 609 L CB 1.627 43.585 42.059 -0.169 0.000 1.472 609 L HN 0.948 nan 8.230 nan 0.000 0.410 610 Q N 1.588 121.329 119.800 -0.099 0.000 2.333 610 Q HA 0.415 4.755 4.340 -0.000 0.000 0.265 610 Q C -0.764 175.175 176.000 -0.103 0.000 0.989 610 Q CA -0.632 55.122 55.803 -0.081 0.000 0.842 610 Q CB 1.232 29.938 28.738 -0.054 0.000 1.262 610 Q HN 0.787 nan 8.270 nan 0.000 0.451 611 N N 5.734 124.380 118.700 -0.091 0.000 2.417 611 N HA -0.018 4.722 4.740 -0.000 0.000 0.272 611 N C -1.843 173.621 175.510 -0.076 0.000 1.304 611 N CA -1.044 51.956 53.050 -0.082 0.000 0.906 611 N CB 0.964 39.426 38.487 -0.042 0.000 1.135 611 N HN 0.496 nan 8.380 nan 0.000 0.483 612 P HA 0.016 nan 4.420 nan 0.000 0.240 612 P C 0.091 177.308 177.300 -0.139 0.000 1.190 612 P CA 0.452 63.496 63.100 -0.094 0.000 0.781 612 P CB 0.493 32.142 31.700 -0.084 0.000 0.931 613 L N 1.947 123.084 121.223 -0.144 0.000 2.421 613 L HA 0.272 4.612 4.340 -0.000 0.000 0.263 613 L C -0.963 175.799 176.870 -0.180 0.000 1.122 613 L CA -2.040 52.657 54.840 -0.238 0.000 0.804 613 L CB 0.571 42.537 42.059 -0.154 0.000 1.150 613 L HN -0.223 nan 8.230 nan 0.000 0.457 614 P HA 0.008 nan 4.420 nan 0.000 0.249 614 P C -0.139 177.137 177.300 -0.039 0.000 1.229 614 P CA 0.458 63.493 63.100 -0.109 0.000 0.788 614 P CB 0.275 31.912 31.700 -0.104 0.000 1.072 615 V N -3.990 115.910 119.914 -0.023 0.000 3.164 615 V HA 0.907 5.027 4.120 -0.000 0.000 0.313 615 V C -0.398 175.706 176.094 0.016 0.000 1.188 615 V CA -1.604 60.707 62.300 0.018 0.000 1.058 615 V CB 1.160 33.019 31.823 0.059 0.000 1.110 615 V HN -0.010 nan 8.190 nan 0.000 0.453 616 A N 1.083 123.919 122.820 0.026 0.000 2.302 616 A HA 0.768 5.088 4.320 -0.000 0.000 0.285 616 A C -0.677 176.933 177.584 0.044 0.000 1.105 616 A CA -0.446 51.608 52.037 0.030 0.000 0.816 616 A CB 0.405 19.421 19.000 0.026 0.000 1.067 616 A HN 0.826 nan 8.150 nan 0.000 0.489 617 L N 1.667 122.924 121.223 0.056 0.000 2.289 617 L HA 0.461 4.801 4.340 -0.000 0.000 0.285 617 L C 0.316 177.221 176.870 0.059 0.000 1.049 617 L CA 0.455 55.342 54.840 0.078 0.000 0.804 617 L CB 1.014 43.155 42.059 0.136 0.000 1.195 617 L HN 0.815 nan 8.230 nan 0.000 0.428 618 E N 1.173 121.393 120.200 0.034 0.000 2.288 618 E HA 0.603 4.952 4.350 -0.000 0.000 0.268 618 E C 0.162 176.746 176.600 -0.026 0.000 0.885 618 E CA -0.330 56.076 56.400 0.010 0.000 0.767 618 E CB 1.747 31.452 29.700 0.008 0.000 1.220 618 E HN 0.720 nan 8.360 nan 0.000 0.427 619 G N 1.559 110.336 108.800 -0.038 0.000 2.198 619 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.257 619 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.257 619 G C 0.143 174.950 174.900 -0.154 0.000 1.042 619 G CA -0.167 44.887 45.100 -0.077 0.000 0.791 619 G HN 0.560 nan 8.290 nan 0.000 0.502 620 C N 0.729 119.945 119.300 -0.139 0.000 2.642 620 C HA 0.571 5.031 4.460 -0.000 0.000 0.420 620 C C 0.982 175.781 174.990 -0.318 0.000 1.349 620 C CA 0.657 59.498 59.018 -0.295 0.000 1.821 620 C CB -0.100 27.635 27.740 -0.009 0.000 2.637 620 C HN 0.611 nan 8.230 nan 0.000 0.605 621 T N 3.606 117.795 114.554 -0.609 0.000 3.071 621 T HA 0.410 4.760 4.350 -0.000 0.000 0.311 621 T C -0.844 173.611 174.700 -0.409 0.000 1.042 621 T CA -0.189 61.702 62.100 -0.348 0.000 1.028 621 T CB 0.589 69.296 68.868 -0.268 0.000 1.068 621 T HN 0.330 nan 8.240 nan 0.000 0.451 622 F N 2.067 121.989 119.950 -0.047 0.000 2.399 622 F HA 0.633 5.160 4.527 -0.000 0.000 0.334 622 F C 0.928 176.727 175.800 -0.002 0.000 1.097 622 F CA -0.300 57.722 58.000 0.037 0.000 1.076 622 F CB 1.811 40.875 39.000 0.106 0.000 1.162 622 F HN 0.390 nan 8.300 nan 0.000 0.495 623 T N 2.641 117.318 114.554 0.205 0.000 2.886 623 T HA 0.711 5.061 4.350 -0.000 0.000 0.292 623 T C -1.030 173.733 174.700 0.105 0.000 1.012 623 T CA -0.700 61.459 62.100 0.099 0.000 0.982 623 T CB 1.840 70.718 68.868 0.017 0.000 1.018 623 T HN 0.288 nan 8.240 nan 0.000 0.451 624 V N 2.469 122.422 119.914 0.065 0.000 3.007 624 V HA 0.848 4.968 4.120 -0.000 0.000 0.311 624 V C -0.759 175.341 176.094 0.011 0.000 1.120 624 V CA -0.834 61.493 62.300 0.045 0.000 0.980 624 V CB 2.244 34.096 31.823 0.047 0.000 1.033 624 V HN 1.102 nan 8.190 nan 0.000 0.429 625 E N 1.747 121.943 120.200 -0.007 0.000 2.427 625 E HA 0.723 5.073 4.350 -0.000 0.000 0.279 625 E C -0.757 175.818 176.600 -0.041 0.000 1.120 625 E CA -0.649 55.733 56.400 -0.029 0.000 0.869 625 E CB 1.971 31.640 29.700 -0.053 0.000 1.393 625 E HN 1.342 nan 8.360 nan 0.000 0.443 626 G N -0.189 108.579 108.800 -0.053 0.000 2.050 626 G HA2 0.487 4.447 3.960 -0.000 0.000 0.274 626 G HA3 0.487 4.447 3.960 -0.000 0.000 0.274 626 G C -0.900 173.950 174.900 -0.083 0.000 1.733 626 G CA -0.368 44.698 45.100 -0.057 0.000 0.905 626 G HN 0.794 nan 8.290 nan 0.000 0.728 627 A N 0.895 123.658 122.820 -0.096 0.000 2.515 627 A HA 0.660 4.980 4.320 -0.000 0.000 0.263 627 A C 1.637 179.019 177.584 -0.336 0.000 1.096 627 A CA 1.526 53.476 52.037 -0.145 0.000 0.769 627 A CB -0.019 18.925 19.000 -0.094 0.000 1.040 627 A HN 2.812 nan 8.150 nan 0.000 0.505 628 G N 1.100 109.656 108.800 -0.406 0.000 2.316 628 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.203 628 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.203 628 G C 0.418 175.100 174.900 -0.363 0.000 0.999 628 G CA 0.302 44.941 45.100 -0.767 0.000 0.649 628 G HN 0.690 nan 8.290 nan 0.000 0.489 629 L N 1.655 122.767 121.223 -0.185 0.000 2.575 629 L HA 0.424 4.764 4.340 -0.000 0.000 0.228 629 L C 1.152 178.019 176.870 -0.005 0.000 1.075 629 L CA 1.916 56.734 54.840 -0.036 0.000 0.867 629 L CB -0.009 42.054 42.059 0.006 0.000 1.097 629 L HN 0.617 nan 8.230 nan 0.000 0.485 630 T N -4.572 109.974 114.554 -0.013 0.000 2.942 630 T HA 0.329 4.679 4.350 -0.000 0.000 0.327 630 T C 0.347 175.055 174.700 0.012 0.000 1.360 630 T CA -0.677 61.428 62.100 0.008 0.000 1.055 630 T CB 2.013 70.885 68.868 0.006 0.000 1.261 630 T HN -0.171 nan 8.240 nan 0.000 0.485 631 E N 0.444 120.661 120.200 0.027 0.000 2.400 631 E HA 0.132 4.482 4.350 -0.000 0.000 0.195 631 E C 0.189 176.805 176.600 0.026 0.000 1.012 631 E CA 0.562 56.983 56.400 0.036 0.000 0.875 631 E CB 0.538 30.265 29.700 0.047 0.000 0.859 631 E HN 0.643 nan 8.360 nan 0.000 0.498 632 E N 1.081 121.293 120.200 0.021 0.000 2.227 632 E HA 0.206 4.556 4.350 -0.000 0.000 0.268 632 E C -0.400 176.209 176.600 0.015 0.000 0.907 632 E CA -0.531 55.881 56.400 0.020 0.000 0.786 632 E CB 2.092 31.804 29.700 0.021 0.000 1.191 632 E HN -0.021 nan 8.360 nan 0.000 0.411 633 Q N 2.510 122.320 119.800 0.016 0.000 2.304 633 Q HA 0.077 4.417 4.340 -0.000 0.000 0.260 633 Q C -0.706 175.305 176.000 0.018 0.000 0.965 633 Q CA -0.078 55.733 55.803 0.013 0.000 0.898 633 Q CB 0.620 29.369 28.738 0.017 0.000 1.196 633 Q HN 0.149 nan 8.270 nan 0.000 0.402 634 K N 2.824 123.235 120.400 0.020 0.000 2.123 634 K HA 0.480 4.800 4.320 -0.000 0.000 0.259 634 K C -0.836 175.785 176.600 0.035 0.000 0.960 634 K CA -0.456 55.846 56.287 0.025 0.000 0.872 634 K CB 2.038 34.553 32.500 0.024 0.000 1.079 634 K HN 0.627 nan 8.250 nan 0.000 0.440 635 T N 0.415 114.991 114.554 0.036 0.000 2.909 635 T HA 0.486 4.836 4.350 -0.000 0.000 0.299 635 T C -1.028 173.704 174.700 0.054 0.000 1.073 635 T CA -0.638 61.488 62.100 0.043 0.000 0.999 635 T CB 1.880 70.759 68.868 0.019 0.000 1.098 635 T HN 0.190 nan 8.240 nan 0.000 0.477 636 V N 2.600 122.564 119.914 0.083 0.000 2.655 636 V HA 0.364 4.484 4.120 -0.000 0.000 0.301 636 V C -0.513 175.638 176.094 0.094 0.000 1.082 636 V CA -0.911 61.442 62.300 0.089 0.000 0.899 636 V CB 1.952 33.841 31.823 0.111 0.000 1.014 636 V HN 0.879 nan 8.190 nan 0.000 0.429 637 E N 4.624 124.855 120.200 0.052 0.000 2.250 637 E HA 0.578 4.928 4.350 -0.000 0.000 0.269 637 E C -1.055 175.578 176.600 0.056 0.000 1.018 637 E CA -0.854 55.563 56.400 0.028 0.000 0.873 637 E CB 1.917 31.617 29.700 -0.001 0.000 1.134 637 E HN 0.393 nan 8.360 nan 0.000 0.403 638 I N 3.456 124.056 120.570 0.050 0.000 2.354 638 I HA 0.133 4.303 4.170 -0.000 0.000 0.286 638 I C -1.385 174.756 176.117 0.039 0.000 1.007 638 I CA -2.395 58.948 61.300 0.071 0.000 1.167 638 I CB 0.635 38.704 38.000 0.116 0.000 1.320 638 I HN 0.413 nan 8.210 nan 0.000 0.458 639 P HA -0.112 nan 4.420 nan 0.000 0.214 639 P C 0.036 177.350 177.300 0.023 0.000 1.163 639 P CA 1.312 64.425 63.100 0.023 0.000 0.889 639 P CB 0.430 32.144 31.700 0.022 0.000 0.790 640 D N 0.771 121.190 120.400 0.031 0.000 2.253 640 D HA 0.254 4.894 4.640 -0.000 0.000 0.249 640 D C -1.997 174.325 176.300 0.037 0.000 1.049 640 D CA -1.616 52.402 54.000 0.030 0.000 0.929 640 D CB 0.527 41.344 40.800 0.029 0.000 1.176 640 D HN 0.170 nan 8.370 nan 0.000 0.437 641 P HA 0.035 nan 4.420 nan 0.000 0.269 641 P C -0.450 176.878 177.300 0.046 0.000 1.209 641 P CA -0.274 62.849 63.100 0.038 0.000 0.776 641 P CB 0.745 32.461 31.700 0.027 0.000 0.876 642 V N 2.647 122.596 119.914 0.060 0.000 2.333 642 V HA 0.163 4.283 4.120 -0.000 0.000 0.274 642 V C 0.764 176.881 176.094 0.039 0.000 1.028 642 V CA -0.428 61.906 62.300 0.058 0.000 0.851 642 V CB 0.440 32.314 31.823 0.085 0.000 1.000 642 V HN 0.500 nan 8.190 nan 0.000 0.456 643 E N 3.060 123.275 120.200 0.026 0.000 2.408 643 E HA 0.414 4.764 4.350 -0.000 0.000 0.259 643 E C 1.423 178.025 176.600 0.004 0.000 1.110 643 E CA 0.698 57.107 56.400 0.015 0.000 0.929 643 E CB 1.049 30.756 29.700 0.011 0.000 0.971 643 E HN 0.707 nan 8.360 nan 0.000 0.438 644 A N 2.400 125.219 122.820 -0.003 0.000 1.957 644 A HA -0.306 4.014 4.320 -0.000 0.000 0.224 644 A C 1.868 179.437 177.584 -0.025 0.000 1.287 644 A CA 2.740 54.766 52.037 -0.018 0.000 0.682 644 A CB -1.229 17.760 19.000 -0.019 0.000 0.833 644 A HN 0.679 nan 8.150 nan 0.000 0.482 645 G N -1.413 107.376 108.800 -0.018 0.000 2.762 645 G HA2 0.258 4.218 3.960 -0.000 0.000 0.209 645 G HA3 0.258 4.218 3.960 -0.000 0.000 0.209 645 G C 0.335 175.224 174.900 -0.018 0.000 1.134 645 G CA 0.148 45.236 45.100 -0.021 0.000 0.781 645 G HN 0.440 nan 8.290 nan 0.000 0.528 646 E N 1.267 121.462 120.200 -0.009 0.000 2.485 646 E HA 0.126 4.476 4.350 -0.000 0.000 0.266 646 E C 0.425 177.021 176.600 -0.006 0.000 1.090 646 E CA 0.196 56.594 56.400 -0.002 0.000 0.987 646 E CB 0.573 30.279 29.700 0.010 0.000 0.974 646 E HN 0.742 nan 8.360 nan 0.000 0.455 647 E N -0.721 119.480 120.200 0.001 0.000 2.235 647 E HA 0.546 4.896 4.350 -0.000 0.000 0.265 647 E C -1.105 175.515 176.600 0.033 0.000 0.940 647 E CA -0.950 55.451 56.400 0.001 0.000 0.819 647 E CB 1.416 31.113 29.700 -0.006 0.000 1.206 647 E HN 0.101 nan 8.360 nan 0.000 0.409 648 V N 1.419 121.370 119.914 0.062 0.000 2.540 648 V HA 0.548 4.668 4.120 -0.000 0.000 0.302 648 V C -0.492 175.694 176.094 0.152 0.000 1.035 648 V CA -0.855 61.536 62.300 0.152 0.000 0.873 648 V CB 1.278 33.271 31.823 0.282 0.000 0.992 648 V HN 0.775 nan 8.190 nan 0.000 0.428 649 K N 3.324 123.785 120.400 0.101 0.000 2.501 649 K HA 0.838 5.157 4.320 -0.000 0.000 0.252 649 K C -1.396 175.187 176.600 -0.029 0.000 0.934 649 K CA -0.540 55.740 56.287 -0.012 0.000 0.797 649 K CB 2.494 34.978 32.500 -0.026 0.000 1.270 649 K HN 0.784 nan 8.250 nan 0.000 0.431 650 V N 0.012 119.838 119.914 -0.147 0.000 3.206 650 V HA 0.714 4.834 4.120 -0.000 0.000 0.305 650 V C -1.670 174.340 176.094 -0.140 0.000 1.257 650 V CA -1.114 61.124 62.300 -0.103 0.000 1.057 650 V CB 2.055 33.852 31.823 -0.043 0.000 1.075 650 V HN 0.841 nan 8.190 nan 0.000 0.443 651 R N 2.999 123.452 120.500 -0.078 0.000 2.534 651 R HA 0.736 5.076 4.340 -0.000 0.000 0.301 651 R C -1.271 175.002 176.300 -0.046 0.000 0.961 651 R CA -0.859 55.200 56.100 -0.069 0.000 0.871 651 R CB 1.891 32.164 30.300 -0.044 0.000 1.170 651 R HN 0.720 nan 8.270 nan 0.000 0.446 652 M N 2.067 121.639 119.600 -0.047 0.000 2.336 652 M HA 0.334 4.814 4.480 -0.000 0.000 0.342 652 M C -0.517 175.776 176.300 -0.013 0.000 1.128 652 M CA -0.436 54.852 55.300 -0.021 0.000 1.016 652 M CB 1.601 34.190 32.600 -0.017 0.000 1.665 652 M HN 0.431 nan 8.290 nan 0.000 0.445 653 D N 4.171 124.569 120.400 -0.003 0.000 2.280 653 D HA 0.587 5.227 4.640 -0.000 0.000 0.243 653 D C -0.549 175.754 176.300 0.006 0.000 1.129 653 D CA -0.149 53.851 54.000 0.001 0.000 0.848 653 D CB 1.867 42.669 40.800 0.003 0.000 1.107 653 D HN 0.441 nan 8.370 nan 0.000 0.471 654 L N 0.941 122.168 121.223 0.008 0.000 2.319 654 L HA 0.574 4.914 4.340 -0.000 0.000 0.267 654 L C -0.177 176.703 176.870 0.017 0.000 1.011 654 L CA -1.122 53.726 54.840 0.013 0.000 0.818 654 L CB 2.249 44.318 42.059 0.016 0.000 1.316 654 L HN 0.051 nan 8.230 nan 0.000 0.432 655 V N 1.534 121.459 119.914 0.020 0.000 2.467 655 V HA 0.213 4.333 4.120 -0.000 0.000 0.260 655 V C -2.325 173.786 176.094 0.028 0.000 0.963 655 V CA -1.167 61.145 62.300 0.021 0.000 0.856 655 V CB 0.858 32.690 31.823 0.015 0.000 1.087 655 V HN 0.581 nan 8.190 nan 0.000 0.467 656 P HA 0.141 nan 4.420 nan 0.000 0.267 656 P C -0.018 177.315 177.300 0.055 0.000 1.209 656 P CA 0.011 63.147 63.100 0.061 0.000 0.763 656 P CB 1.825 33.577 31.700 0.088 0.000 0.816 657 L N 3.113 124.374 121.223 0.064 0.000 2.693 657 L HA 0.244 4.584 4.340 -0.000 0.000 0.235 657 L C 0.448 177.183 176.870 -0.225 0.000 1.127 657 L CA 0.406 55.199 54.840 -0.077 0.000 0.914 657 L CB -1.134 40.832 42.059 -0.155 0.000 1.193 657 L HN 0.459 nan 8.230 nan 0.000 0.502 658 H N -1.739 117.372 119.070 0.068 0.000 2.717 658 H HA 0.557 5.113 4.556 -0.000 0.000 0.366 658 H C -0.137 175.355 175.328 0.273 0.000 1.132 658 H CA -0.688 55.450 56.048 0.151 0.000 1.180 658 H CB 1.363 31.218 29.762 0.156 0.000 1.678 658 H HN -0.123 nan 8.280 nan 0.000 0.537 659 M N 1.237 121.019 119.600 0.303 0.000 2.197 659 M HA 0.445 4.925 4.480 -0.000 0.000 0.305 659 M C 0.716 177.094 176.300 0.130 0.000 1.162 659 M CA 0.585 55.999 55.300 0.190 0.000 1.099 659 M CB 0.891 33.554 32.600 0.105 0.000 1.430 659 M HN 0.972 nan 8.290 nan 0.000 0.481 660 G N 0.563 109.349 108.800 -0.025 0.000 2.655 660 G HA2 -0.116 3.844 3.960 -0.000 0.000 0.680 660 G HA3 -0.116 3.844 3.960 -0.000 0.000 0.680 660 G C -1.492 173.137 174.900 -0.453 0.000 1.302 660 G CA -0.936 44.064 45.100 -0.167 0.000 0.872 660 G HN 0.779 nan 8.290 nan 0.000 0.540 661 L N 1.487 122.496 121.223 -0.357 0.000 2.416 661 L HA 0.727 5.067 4.340 -0.000 0.000 0.272 661 L C 0.080 176.648 176.870 -0.505 0.000 1.161 661 L CA -0.123 54.524 54.840 -0.323 0.000 0.845 661 L CB 0.323 42.309 42.059 -0.121 0.000 1.119 661 L HN 0.758 nan 8.230 nan 0.000 0.464 662 H N 3.687 122.782 119.070 0.042 0.000 2.974 662 H HA 0.406 4.962 4.556 -0.000 0.000 0.366 662 H C -1.011 174.338 175.328 0.036 0.000 1.155 662 H CA -0.894 55.171 56.048 0.030 0.000 1.186 662 H CB 1.449 31.231 29.762 0.034 0.000 1.799 662 H HN 0.548 nan 8.280 nan 0.000 0.541 663 K N 1.871 122.357 120.400 0.144 0.000 2.185 663 K HA 0.274 4.594 4.320 -0.000 0.000 0.269 663 K C -0.400 176.262 176.600 0.104 0.000 0.987 663 K CA -0.944 55.414 56.287 0.119 0.000 0.865 663 K CB 1.838 34.352 32.500 0.023 0.000 1.090 663 K HN 0.211 nan 8.250 nan 0.000 0.450 664 L N 5.295 126.594 121.223 0.128 0.000 2.261 664 L HA 0.232 4.572 4.340 -0.000 0.000 0.289 664 L C -0.649 176.287 176.870 0.111 0.000 1.059 664 L CA -0.391 54.501 54.840 0.086 0.000 0.816 664 L CB 1.118 43.219 42.059 0.071 0.000 1.191 664 L HN 0.378 nan 8.230 nan 0.000 0.431 665 V N 6.377 126.326 119.914 0.059 0.000 2.472 665 V HA 0.765 4.885 4.120 -0.000 0.000 0.290 665 V C -0.923 175.214 176.094 0.071 0.000 1.037 665 V CA -0.250 62.097 62.300 0.078 0.000 0.908 665 V CB 1.833 33.651 31.823 -0.009 0.000 0.985 665 V HN 0.706 nan 8.190 nan 0.000 0.454 666 V N 5.238 125.225 119.914 0.121 0.000 2.823 666 V HA 0.727 4.847 4.120 -0.000 0.000 0.312 666 V C -0.884 175.309 176.094 0.166 0.000 1.072 666 V CA -0.471 61.915 62.300 0.144 0.000 0.937 666 V CB 2.107 34.036 31.823 0.176 0.000 1.013 666 V HN 1.225 nan 8.190 nan 0.000 0.430 667 N N 3.763 122.563 118.700 0.167 0.000 2.238 667 N HA 0.620 5.360 4.740 -0.000 0.000 0.302 667 N C -1.786 173.807 175.510 0.140 0.000 1.072 667 N CA -0.531 52.596 53.050 0.129 0.000 0.792 667 N CB 1.931 40.437 38.487 0.033 0.000 1.425 667 N HN 0.738 nan 8.380 nan 0.000 0.478 668 F N 1.973 121.864 119.950 -0.099 0.000 2.495 668 F HA 0.604 5.131 4.527 -0.000 0.000 0.327 668 F C -0.561 175.099 175.800 -0.234 0.000 1.103 668 F CA -0.536 57.256 58.000 -0.347 0.000 0.949 668 F CB 1.622 40.343 39.000 -0.465 0.000 1.142 668 F HN 0.491 nan 8.300 nan 0.000 0.457 669 E N 3.056 122.652 120.200 -1.007 0.000 2.317 669 E HA 0.692 5.042 4.350 -0.000 0.000 0.270 669 E C -1.486 174.578 176.600 -0.892 0.000 0.885 669 E CA -0.453 55.550 56.400 -0.661 0.000 0.760 669 E CB 2.023 31.486 29.700 -0.396 0.000 1.227 669 E HN 0.744 nan 8.360 nan 0.000 0.434 670 S N 1.944 117.389 115.700 -0.425 0.000 2.661 670 S HA 0.285 4.755 4.470 -0.000 0.000 0.268 670 S C 0.086 174.629 174.600 -0.094 0.000 1.162 670 S CA -0.144 57.898 58.200 -0.263 0.000 0.817 670 S CB 0.519 63.648 63.200 -0.117 0.000 1.141 670 S HN 0.524 nan 8.310 nan 0.000 0.477 671 D N 0.688 121.063 120.400 -0.042 0.000 2.144 671 D HA -0.060 4.580 4.640 -0.000 0.000 0.200 671 D C 0.956 177.272 176.300 0.027 0.000 0.978 671 D CA 1.159 55.154 54.000 -0.009 0.000 0.833 671 D CB -0.207 40.592 40.800 -0.003 0.000 0.961 671 D HN 0.645 nan 8.370 nan 0.000 0.470 672 K N -0.682 119.753 120.400 0.057 0.000 2.402 672 K HA 0.295 4.615 4.320 -0.000 0.000 0.204 672 K C 0.116 176.791 176.600 0.125 0.000 1.056 672 K CA -0.270 56.074 56.287 0.094 0.000 1.069 672 K CB 1.813 34.380 32.500 0.110 0.000 0.888 672 K HN 0.087 nan 8.250 nan 0.000 0.546 673 L N 2.248 123.548 121.223 0.127 0.000 2.471 673 L HA 0.370 4.710 4.340 -0.000 0.000 0.263 673 L C -1.555 175.410 176.870 0.157 0.000 0.985 673 L CA -0.287 54.649 54.840 0.160 0.000 0.868 673 L CB 1.210 43.389 42.059 0.200 0.000 1.203 673 L HN -0.001 nan 8.230 nan 0.000 0.429 674 K N 2.926 123.393 120.400 0.110 0.000 2.208 674 K HA 0.708 5.028 4.320 -0.000 0.000 0.247 674 K C 0.615 177.264 176.600 0.081 0.000 0.953 674 K CA -0.131 56.195 56.287 0.065 0.000 0.837 674 K CB 2.105 34.629 32.500 0.040 0.000 1.131 674 K HN 0.590 nan 8.250 nan 0.000 0.431 675 A N 0.246 123.093 122.820 0.045 0.000 2.822 675 A HA -0.140 4.180 4.320 -0.000 0.000 0.287 675 A C 0.147 177.792 177.584 0.101 0.000 1.479 675 A CA 0.757 52.828 52.037 0.057 0.000 0.779 675 A CB -2.217 16.818 19.000 0.058 0.000 1.022 675 A HN 0.521 nan 8.150 nan 0.000 0.532 676 V N -0.027 119.974 119.914 0.145 0.000 2.455 676 V HA 0.601 4.721 4.120 -0.000 0.000 0.273 676 V C 0.385 176.568 176.094 0.149 0.000 1.045 676 V CA -0.619 61.767 62.300 0.143 0.000 0.976 676 V CB 0.866 32.763 31.823 0.122 0.000 0.993 676 V HN 0.404 nan 8.190 nan 0.000 0.475 677 K N 4.876 125.358 120.400 0.137 0.000 2.109 677 K HA 0.890 5.210 4.320 -0.000 0.000 0.243 677 K C 0.193 176.897 176.600 0.173 0.000 1.006 677 K CA 0.034 56.411 56.287 0.151 0.000 0.917 677 K CB 1.564 34.145 32.500 0.134 0.000 1.081 677 K HN 1.148 nan 8.250 nan 0.000 0.468 678 G N 0.079 109.005 108.800 0.211 0.000 2.579 678 G HA2 0.602 4.562 3.960 -0.000 0.000 0.292 678 G HA3 0.602 4.562 3.960 -0.000 0.000 0.292 678 G C -1.730 173.344 174.900 0.291 0.000 1.484 678 G CA -0.874 44.348 45.100 0.203 0.000 0.813 678 G HN 0.450 nan 8.290 nan 0.000 0.515 679 F N -0.926 119.067 119.950 0.071 0.000 2.773 679 F HA 0.947 5.474 4.527 -0.000 0.000 0.314 679 F C -1.130 174.703 175.800 0.054 0.000 1.160 679 F CA -1.477 56.560 58.000 0.061 0.000 0.920 679 F CB 2.122 41.170 39.000 0.081 0.000 1.323 679 F HN 0.756 nan 8.300 nan 0.000 0.457 680 R N 1.952 122.485 120.500 0.056 0.000 2.523 680 R HA 0.370 4.710 4.340 -0.000 0.000 0.278 680 R C -2.251 174.126 176.300 0.128 0.000 1.150 680 R CA -0.508 55.557 56.100 -0.059 0.000 0.987 680 R CB 0.896 31.153 30.300 -0.073 0.000 1.232 680 R HN 0.765 nan 8.270 nan 0.000 0.424 681 N N 2.691 121.476 118.700 0.143 0.000 2.475 681 N HA 0.200 4.940 4.740 -0.000 0.000 0.267 681 N C -0.926 174.629 175.510 0.076 0.000 1.169 681 N CA 0.071 53.204 53.050 0.138 0.000 0.947 681 N CB 1.562 40.131 38.487 0.135 0.000 1.061 681 N HN 0.274 nan 8.380 nan 0.000 0.466 682 V N 4.260 124.221 119.914 0.079 0.000 2.448 682 V HA 0.264 4.384 4.120 -0.000 0.000 0.295 682 V C 1.433 177.549 176.094 0.036 0.000 1.025 682 V CA -0.652 61.686 62.300 0.063 0.000 0.859 682 V CB 1.880 33.757 31.823 0.089 0.000 0.988 682 V HN 0.517 nan 8.190 nan 0.000 0.431 683 I N 3.372 123.952 120.570 0.016 0.000 2.277 683 I HA 0.134 4.304 4.170 -0.000 0.000 0.243 683 I C 1.034 177.148 176.117 -0.006 0.000 1.094 683 I CA 1.018 62.308 61.300 -0.016 0.000 1.393 683 I CB -0.172 37.823 38.000 -0.008 0.000 1.078 683 I HN 0.609 nan 8.210 nan 0.000 0.417 684 I N 1.118 121.709 120.570 0.036 0.000 8.319 684 I HA -0.216 3.954 4.170 -0.000 0.000 0.126 684 I C 0.653 176.798 176.117 0.047 0.000 1.836 684 I CA 0.284 61.622 61.300 0.062 0.000 2.073 684 I CB -1.158 36.925 38.000 0.138 0.000 3.775 684 I HN 0.342 nan 8.210 nan 0.000 0.180 685 G N 7.059 115.881 108.800 0.038 0.000 2.702 685 G HA2 0.755 4.715 3.960 -0.000 0.000 0.254 685 G HA3 0.755 4.715 3.960 -0.000 0.000 0.254 685 G C -2.519 172.402 174.900 0.035 0.000 1.380 685 G CA -0.828 44.291 45.100 0.031 0.000 1.042 685 G HN 0.427 nan 8.290 nan 0.000 0.557 686 P HA 0.209 nan 4.420 nan 0.000 0.265 686 P C 0.259 177.571 177.300 0.020 0.000 1.187 686 P CA 0.192 63.305 63.100 0.023 0.000 0.766 686 P CB 0.733 32.443 31.700 0.017 0.000 0.820 687 A N 0.000 122.830 122.820 0.017 0.000 2.254 687 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 687 A CA 0.000 52.045 52.037 0.013 0.000 0.836 687 A CB 0.000 19.005 19.000 0.008 0.000 0.831 687 A HN 0.000 nan 8.150 nan 0.000 0.486