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_A 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 0.000 176.603 176.600 0.006 0.000 1.382 15 E CA 0.000 56.409 56.400 0.015 0.000 0.976 15 E CB 0.000 29.704 29.700 0.007 0.000 0.812 16 T N -0.918 113.638 114.554 0.003 0.000 3.155 16 T HA 0.039 4.389 4.350 -0.000 0.000 0.264 16 T C 0.953 175.681 174.700 0.047 0.000 1.160 16 T CA 1.199 63.289 62.100 -0.016 0.000 1.075 16 T CB -0.516 68.298 68.868 -0.089 0.000 0.921 16 T HN 0.172 nan 8.240 nan 0.000 0.533 17 N N 1.325 120.079 118.700 0.089 0.000 2.250 17 N HA 0.065 4.805 4.740 -0.000 0.000 0.181 17 N C 2.205 177.749 175.510 0.056 0.000 1.017 17 N CA 1.193 54.332 53.050 0.147 0.000 0.866 17 N CB -0.862 37.652 38.487 0.046 0.000 0.985 17 N HN 0.597 nan 8.380 nan 0.000 0.429 18 G N 1.882 110.669 108.800 -0.022 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 1.518 176.365 174.900 -0.089 0.000 1.198 18 G CA 0.855 45.918 45.100 -0.061 0.000 0.780 18 G HN 0.308 nan 8.290 nan 0.000 0.565 19 R N 0.424 120.880 120.500 -0.074 0.000 2.139 19 R HA -0.128 4.212 4.340 -0.000 0.000 0.243 19 R C 1.858 178.025 176.300 -0.221 0.000 1.145 19 R CA 2.015 58.049 56.100 -0.111 0.000 0.976 19 R CB -0.355 29.907 30.300 -0.064 0.000 0.866 19 R HN 0.270 nan 8.270 nan 0.000 0.449 20 D N -0.924 119.385 120.400 -0.152 0.000 2.162 20 D HA -0.054 4.586 4.640 -0.000 0.000 0.203 20 D C 1.269 177.238 176.300 -0.553 0.000 0.967 20 D CA 1.032 54.894 54.000 -0.229 0.000 0.840 20 D CB -0.047 40.785 40.800 0.054 0.000 0.972 20 D HN 0.412 nan 8.370 nan 0.000 0.482 21 H N -0.767 118.032 119.070 -0.453 0.000 2.539 21 H HA 0.104 4.660 4.556 -0.000 0.000 0.269 21 H C -0.222 174.798 175.328 -0.514 0.000 0.980 21 H CA 0.158 55.946 56.048 -0.435 0.000 1.152 21 H CB 0.119 29.748 29.762 -0.222 0.000 1.407 21 H HN 0.313 nan 8.280 nan 0.000 0.564 22 H N 0.299 119.164 119.070 -0.342 0.000 2.748 22 H HA -0.141 4.415 4.556 -0.000 0.000 0.322 22 H C 0.360 175.528 175.328 -0.268 0.000 1.208 22 H CA 0.886 56.699 56.048 -0.393 0.000 1.151 22 H CB -1.873 27.364 29.762 -0.875 0.000 1.505 22 H HN 0.439 nan 8.280 nan 0.000 0.429 23 T N -4.433 110.027 114.554 -0.157 0.000 3.403 23 T HA 0.602 4.952 4.350 -0.000 0.000 0.308 23 T C 1.737 176.322 174.700 -0.191 0.000 0.952 23 T CA 0.088 62.063 62.100 -0.209 0.000 0.970 23 T CB 0.449 69.246 68.868 -0.118 0.000 1.189 23 T HN 0.509 nan 8.240 nan 0.000 0.528 24 A N 2.576 125.310 122.820 -0.143 0.000 1.903 24 A HA -0.176 4.144 4.320 -0.000 0.000 0.219 24 A C 2.010 179.567 177.584 -0.045 0.000 1.191 24 A CA 2.134 54.127 52.037 -0.072 0.000 0.638 24 A CB -0.783 18.200 19.000 -0.028 0.000 0.823 24 A HN 0.457 nan 8.150 nan 0.000 0.451 25 D N -0.914 119.441 120.400 -0.075 0.000 2.264 25 D HA -0.043 4.597 4.640 -0.000 0.000 0.208 25 D C 1.569 177.875 176.300 0.010 0.000 0.966 25 D CA 0.627 54.645 54.000 0.031 0.000 0.864 25 D CB -0.112 40.716 40.800 0.047 0.000 0.933 25 D HN 0.293 nan 8.370 nan 0.000 0.499 26 L N -0.013 121.147 121.223 -0.104 0.000 2.209 26 L HA 0.041 4.381 4.340 -0.000 0.000 0.207 26 L C 0.829 177.695 176.870 -0.007 0.000 1.094 26 L CA 0.442 55.258 54.840 -0.040 0.000 0.790 26 L CB -0.138 41.863 42.059 -0.096 0.000 0.932 26 L HN -0.030 nan 8.230 nan 0.000 0.447 27 C N 1.943 121.226 119.300 -0.028 0.000 2.645 27 C HA 0.297 4.757 4.460 -0.000 0.000 0.451 27 C C 0.712 175.709 174.990 0.011 0.000 1.018 27 C CA -0.455 58.557 59.018 -0.010 0.000 1.180 27 C CB -2.196 25.526 27.740 -0.031 0.000 1.563 27 C HN 0.226 nan 8.230 nan 0.000 0.551 28 R N 1.361 121.877 120.500 0.027 0.000 2.539 28 R HA 0.260 4.600 4.340 -0.000 0.000 0.295 28 R C -0.022 176.300 176.300 0.036 0.000 1.138 28 R CA -0.343 55.776 56.100 0.031 0.000 0.936 28 R CB 0.767 31.090 30.300 0.038 0.000 1.182 28 R HN 0.629 nan 8.270 nan 0.000 0.459 29 E N 1.528 121.749 120.200 0.036 0.000 2.759 29 E HA -0.250 4.100 4.350 -0.000 0.000 0.280 29 E C -0.818 175.813 176.600 0.051 0.000 1.009 29 E CA 1.038 57.463 56.400 0.042 0.000 0.849 29 E CB -0.637 29.085 29.700 0.037 0.000 1.415 29 E HN 0.555 nan 8.360 nan 0.000 0.412 30 K N 0.159 120.593 120.400 0.057 0.000 2.806 30 K HA 0.217 4.537 4.320 -0.000 0.000 0.293 30 K C -1.756 174.883 176.600 0.066 0.000 1.135 30 K CA -0.684 55.647 56.287 0.073 0.000 0.960 30 K CB 0.697 33.235 32.500 0.064 0.000 1.374 30 K HN 0.019 nan 8.250 nan 0.000 0.400 31 L N 4.138 125.415 121.223 0.090 0.000 2.371 31 L HA 0.651 4.991 4.340 -0.000 0.000 0.272 31 L C -1.084 175.805 176.870 0.031 0.000 1.124 31 L CA 0.087 54.957 54.840 0.049 0.000 0.816 31 L CB 1.599 43.701 42.059 0.071 0.000 1.129 31 L HN 0.378 nan 8.230 nan 0.000 0.448 32 V N 7.018 126.899 119.914 -0.055 0.000 2.612 32 V HA 0.759 4.879 4.120 -0.000 0.000 0.301 32 V C -0.976 175.003 176.094 -0.191 0.000 1.059 32 V CA 0.149 62.414 62.300 -0.058 0.000 0.886 32 V CB 1.846 33.668 31.823 -0.000 0.000 1.007 32 V HN 0.906 nan 8.190 nan 0.000 0.426 33 V N 4.230 123.984 119.914 -0.268 0.000 3.156 33 V HA 0.775 4.895 4.120 -0.000 0.000 0.311 33 V C -0.598 175.437 176.094 -0.097 0.000 1.208 33 V CA -1.275 60.767 62.300 -0.429 0.000 1.063 33 V CB 2.278 33.450 31.823 -1.084 0.000 1.098 33 V HN 0.923 nan 8.190 nan 0.000 0.452 34 R N 0.894 121.497 120.500 0.171 0.000 2.589 34 R HA 0.567 4.907 4.340 -0.000 0.000 0.293 34 R C -0.220 176.146 176.300 0.110 0.000 0.963 34 R CA -0.869 55.344 56.100 0.189 0.000 0.905 34 R CB 2.051 32.514 30.300 0.272 0.000 1.144 34 R HN 0.963 nan 8.270 nan 0.000 0.459 35 R N 0.220 120.736 120.500 0.028 0.000 2.827 35 R HA 0.177 4.517 4.340 -0.000 0.000 0.269 35 R C 0.563 176.837 176.300 -0.044 0.000 1.048 35 R CA 0.517 56.575 56.100 -0.069 0.000 1.173 35 R CB 0.028 30.266 30.300 -0.105 0.000 1.070 35 R HN 0.793 nan 8.270 nan 0.000 0.498 36 G N -0.389 108.331 108.800 -0.135 0.000 2.175 36 G HA2 -0.379 3.581 3.960 -0.000 0.000 0.265 36 G HA3 -0.379 3.581 3.960 -0.000 0.000 0.265 36 G C -0.058 174.786 174.900 -0.093 0.000 0.979 36 G CA 0.910 45.940 45.100 -0.116 0.000 0.663 36 G HN 0.849 nan 8.290 nan 0.000 0.533 37 Q N 0.360 120.121 119.800 -0.066 0.000 2.331 37 Q HA 0.574 4.914 4.340 -0.000 0.000 0.272 37 Q C -2.801 173.216 176.000 0.029 0.000 1.062 37 Q CA -2.349 53.415 55.803 -0.065 0.000 0.806 37 Q CB 2.963 31.608 28.738 -0.156 0.000 1.312 37 Q HN 0.167 nan 8.270 nan 0.000 0.431 38 P HA 0.099 nan 4.420 nan 0.000 0.271 38 P C -1.196 176.160 177.300 0.094 0.000 1.216 38 P CA 0.180 63.229 63.100 -0.085 0.000 0.771 38 P CB 0.025 31.580 31.700 -0.242 0.000 0.864 39 F N 0.350 120.187 119.950 -0.188 0.000 2.540 39 F HA 0.596 5.123 4.527 -0.000 0.000 0.317 39 F C -0.903 174.757 175.800 -0.233 0.000 1.104 39 F CA -1.857 56.064 58.000 -0.132 0.000 0.913 39 F CB 0.609 39.463 39.000 -0.243 0.000 1.170 39 F HN 0.183 nan 8.300 nan 0.000 0.450 40 W N 4.471 125.798 121.300 0.045 0.000 2.193 40 W HA 0.458 5.118 4.660 -0.000 0.000 0.338 40 W C -0.732 175.749 176.519 -0.063 0.000 1.310 40 W CA -0.164 57.153 57.345 -0.047 0.000 1.243 40 W CB 0.688 30.151 29.460 0.005 0.000 1.165 40 W HN 0.526 nan 8.180 nan 0.000 0.566 41 L N 3.487 124.775 121.223 0.109 0.000 2.470 41 L HA 0.509 4.849 4.340 -0.000 0.000 0.268 41 L C -0.639 176.294 176.870 0.104 0.000 0.964 41 L CA -0.546 54.325 54.840 0.053 0.000 0.839 41 L CB 1.902 43.880 42.059 -0.135 0.000 1.276 41 L HN 0.340 nan 8.230 nan 0.000 0.403 42 T N 5.437 120.059 114.554 0.113 0.000 2.841 42 T HA 0.789 5.139 4.350 -0.000 0.000 0.283 42 T C -0.579 174.172 174.700 0.085 0.000 1.000 42 T CA -0.328 61.833 62.100 0.101 0.000 0.977 42 T CB 0.635 69.555 68.868 0.086 0.000 0.979 42 T HN 0.540 nan 8.240 nan 0.000 0.446 57 L N 0.530 121.673 121.223 -0.133 0.000 2.330 57 L HA 1.015 5.355 4.340 -0.000 0.000 0.271 57 L C -0.161 176.539 176.870 -0.283 0.000 1.013 57 L CA -0.610 54.101 54.840 -0.214 0.000 0.816 57 L CB 0.412 42.307 42.059 -0.272 0.000 1.287 57 L HN 1.010 nan 8.230 nan 0.000 0.435 58 T N -1.325 113.034 114.554 -0.325 0.000 2.863 58 T HA 0.703 5.053 4.350 -0.000 0.000 0.285 58 T C -0.435 173.969 174.700 -0.493 0.000 1.009 58 T CA -0.391 61.510 62.100 -0.332 0.000 0.989 58 T CB 1.302 70.070 68.868 -0.168 0.000 1.004 58 T HN 0.356 nan 8.240 nan 0.000 0.455 59 F N 1.799 121.459 119.950 -0.483 0.000 2.377 59 F HA 0.624 5.151 4.527 -0.000 0.000 0.328 59 F C 1.103 176.584 175.800 -0.532 0.000 1.094 59 F CA -0.312 57.309 58.000 -0.632 0.000 1.093 59 F CB 1.767 40.078 39.000 -1.149 0.000 1.214 59 F HN 0.880 nan 8.300 nan 0.000 0.518 60 S N 1.056 116.736 115.700 -0.033 0.000 2.548 60 S HA 0.787 5.257 4.470 -0.000 0.000 0.276 60 S C -1.222 173.444 174.600 0.109 0.000 1.129 60 S CA -0.851 57.370 58.200 0.035 0.000 0.931 60 S CB 1.231 64.430 63.200 -0.001 0.000 1.068 60 S HN 0.724 nan 8.310 nan 0.000 0.480 61 V N -0.055 119.899 119.914 0.066 0.000 2.735 61 V HA 0.982 5.102 4.120 -0.000 0.000 0.310 61 V C -0.810 175.316 176.094 0.053 0.000 1.061 61 V CA -0.756 61.581 62.300 0.062 0.000 0.913 61 V CB 1.349 33.113 31.823 -0.098 0.000 1.005 61 V HN 0.844 nan 8.190 nan 0.000 0.428 62 V N 3.007 123.000 119.914 0.131 0.000 2.686 62 V HA 0.565 4.685 4.120 -0.000 0.000 0.306 62 V C 0.574 176.655 176.094 -0.023 0.000 1.065 62 V CA 0.725 63.061 62.300 0.060 0.000 0.894 62 V CB 2.227 34.064 31.823 0.023 0.000 1.004 62 V HN 1.182 nan 8.190 nan 0.000 0.424 63 T N 2.794 117.236 114.554 -0.186 0.000 3.182 63 T HA 0.311 4.661 4.350 -0.000 0.000 0.244 63 T C 0.986 175.562 174.700 -0.205 0.000 0.981 63 T CA 0.981 62.812 62.100 -0.448 0.000 1.182 63 T CB 0.026 68.246 68.868 -1.080 0.000 1.043 63 T HN 0.849 nan 8.240 nan 0.000 0.424 64 G N 1.652 110.387 108.800 -0.107 0.000 2.525 64 G HA2 0.400 4.360 3.960 -0.000 0.000 0.276 64 G HA3 0.400 4.360 3.960 -0.000 0.000 0.276 64 G C -1.586 173.323 174.900 0.015 0.000 1.388 64 G CA -0.285 44.812 45.100 -0.004 0.000 1.050 64 G HN 0.387 nan 8.290 nan 0.000 0.520 65 P HA 0.308 nan 4.420 nan 0.000 0.268 65 P C -0.228 177.060 177.300 -0.020 0.000 1.329 65 P CA 0.526 63.639 63.100 0.021 0.000 0.899 65 P CB 1.033 32.761 31.700 0.048 0.000 1.378 66 A N 0.970 123.772 122.820 -0.030 0.000 3.455 66 A HA 0.421 4.741 4.320 -0.000 0.000 0.225 66 A C -2.524 175.045 177.584 -0.025 0.000 1.052 66 A CA -0.849 51.166 52.037 -0.036 0.000 1.005 66 A CB -0.084 18.879 19.000 -0.062 0.000 1.318 66 A HN -0.007 nan 8.150 nan 0.000 0.639 67 P HA 0.301 nan 4.420 nan 0.000 0.269 67 P C 0.037 177.334 177.300 -0.004 0.000 1.211 67 P CA 0.607 63.701 63.100 -0.009 0.000 0.781 67 P CB 1.087 32.783 31.700 -0.007 0.000 0.877 68 S N -0.290 115.413 115.700 0.005 0.000 2.543 68 S HA 0.127 4.597 4.470 -0.000 0.000 0.274 68 S C 0.615 175.226 174.600 0.018 0.000 1.149 68 S CA -0.657 57.547 58.200 0.008 0.000 0.866 68 S CB 1.504 64.707 63.200 0.004 0.000 1.111 68 S HN 0.365 nan 8.310 nan 0.000 0.457 69 Q N 1.804 121.614 119.800 0.017 0.000 1.990 69 Q HA -0.092 4.248 4.340 -0.000 0.000 0.200 69 Q C 1.983 178.006 176.000 0.038 0.000 0.980 69 Q CA 2.175 57.993 55.803 0.025 0.000 0.832 69 Q CB -0.400 28.351 28.738 0.022 0.000 0.897 69 Q HN 0.952 nan 8.270 nan 0.000 0.427 70 E N -0.179 120.040 120.200 0.031 0.000 2.268 70 E HA -0.088 4.262 4.350 -0.000 0.000 0.195 70 E C 1.328 177.950 176.600 0.038 0.000 0.995 70 E CA 1.082 57.503 56.400 0.034 0.000 0.836 70 E CB -0.090 29.625 29.700 0.024 0.000 0.763 70 E HN 0.189 nan 8.360 nan 0.000 0.491 71 A N 0.905 123.745 122.820 0.033 0.000 2.235 71 A HA 0.309 4.629 4.320 -0.000 0.000 0.208 71 A C 1.945 179.565 177.584 0.060 0.000 1.172 71 A CA 0.958 53.014 52.037 0.032 0.000 0.786 71 A CB -0.657 18.352 19.000 0.015 0.000 0.804 71 A HN 0.508 nan 8.150 nan 0.000 0.479 72 G N -1.275 107.578 108.800 0.088 0.000 2.220 72 G HA2 -0.370 3.590 3.960 -0.000 0.000 0.269 72 G HA3 -0.370 3.590 3.960 -0.000 0.000 0.269 72 G C 1.143 176.160 174.900 0.195 0.000 0.977 72 G CA 1.438 46.630 45.100 0.155 0.000 0.634 72 G HN 1.008 nan 8.290 nan 0.000 0.539 73 T N -0.609 114.017 114.554 0.120 0.000 3.148 73 T HA 0.332 4.681 4.350 -0.000 0.000 0.253 73 T C 0.699 175.451 174.700 0.087 0.000 1.134 73 T CA 1.687 63.850 62.100 0.104 0.000 1.051 73 T CB -0.221 68.666 68.868 0.031 0.000 0.959 73 T HN 0.663 nan 8.240 nan 0.000 0.525 74 K N 0.215 120.650 120.400 0.058 0.000 2.525 74 K HA 0.646 4.966 4.320 -0.000 0.000 0.254 74 K C -2.039 174.504 176.600 -0.095 0.000 0.934 74 K CA -0.795 55.487 56.287 -0.010 0.000 0.802 74 K CB 1.997 34.495 32.500 -0.002 0.000 1.295 74 K HN 0.041 nan 8.250 nan 0.000 0.433 75 A N 3.006 125.695 122.820 -0.218 0.000 2.488 75 A HA 0.663 4.983 4.320 -0.000 0.000 0.298 75 A C -1.698 175.878 177.584 -0.015 0.000 1.044 75 A CA -0.759 51.116 52.037 -0.270 0.000 0.693 75 A CB 1.800 20.251 19.000 -0.915 0.000 1.272 75 A HN 0.671 nan 8.150 nan 0.000 0.402 76 R N 1.340 121.905 120.500 0.109 0.000 2.437 76 R HA 0.805 5.145 4.340 -0.000 0.000 0.310 76 R C -1.435 175.072 176.300 0.344 0.000 0.955 76 R CA -0.696 55.506 56.100 0.171 0.000 0.851 76 R CB 0.470 30.810 30.300 0.066 0.000 1.161 76 R HN 0.910 nan 8.270 nan 0.000 0.446 77 F N 2.744 122.726 119.950 0.053 0.000 2.628 77 F HA 0.686 5.213 4.527 -0.000 0.000 0.309 77 F C -2.767 173.112 175.800 0.131 0.000 1.108 77 F CA -2.496 55.561 58.000 0.095 0.000 0.971 77 F CB 1.932 41.009 39.000 0.128 0.000 1.279 77 F HN 0.374 nan 8.300 nan 0.000 0.441 78 P HA 0.123 nan 4.420 nan 0.000 0.277 78 P C -0.621 176.746 177.300 0.112 0.000 1.240 78 P CA -0.395 62.739 63.100 0.057 0.000 0.798 78 P CB 2.395 34.133 31.700 0.064 0.000 0.979 79 L N 2.609 123.866 121.223 0.056 0.000 2.480 79 L HA 0.103 4.443 4.340 -0.000 0.000 0.243 79 L C 1.207 178.121 176.870 0.075 0.000 1.315 79 L CA -0.455 54.454 54.840 0.115 0.000 1.231 79 L CB -0.365 41.730 42.059 0.061 0.000 1.444 79 L HN 0.331 nan 8.230 nan 0.000 0.409 80 R N 0.514 121.066 120.500 0.087 0.000 3.151 80 R HA -0.037 4.303 4.340 -0.000 0.000 0.283 80 R C 0.465 176.789 176.300 0.040 0.000 1.140 80 R CA 0.023 56.156 56.100 0.056 0.000 1.162 80 R CB 0.313 30.650 30.300 0.061 0.000 1.121 80 R HN 0.470 nan 8.270 nan 0.000 0.552 81 D N -1.843 118.572 120.400 0.026 0.000 2.399 81 D HA 0.177 4.817 4.640 -0.000 0.000 0.269 81 D C 0.734 177.038 176.300 0.008 0.000 1.105 81 D CA 0.382 54.392 54.000 0.016 0.000 0.844 81 D CB 0.689 41.497 40.800 0.014 0.000 1.372 81 D HN 0.433 nan 8.370 nan 0.000 0.517 82 A N 0.319 123.145 122.820 0.010 0.000 2.712 82 A HA 0.499 4.819 4.320 -0.000 0.000 0.211 82 A C 1.469 179.051 177.584 -0.003 0.000 1.877 82 A CA 1.553 53.592 52.037 0.003 0.000 0.686 82 A CB -0.028 18.976 19.000 0.007 0.000 1.308 82 A HN 0.120 nan 8.150 nan 0.000 0.498 83 V N -2.764 117.150 119.914 0.001 0.000 7.017 83 V HA 0.244 4.364 4.120 -0.000 0.000 0.054 83 V C -1.083 175.011 176.094 0.001 0.000 0.798 83 V CA 1.216 63.512 62.300 -0.007 0.000 0.630 83 V CB -0.573 31.235 31.823 -0.026 0.000 1.141 83 V HN 0.929 nan 8.190 nan 0.000 0.724 84 E N 1.739 121.936 120.200 -0.006 0.000 2.302 84 E HA -0.166 4.184 4.350 -0.000 0.000 0.186 84 E C 0.665 177.261 176.600 -0.007 0.000 1.444 84 E CA 0.944 57.342 56.400 -0.003 0.000 0.671 84 E CB -0.911 28.794 29.700 0.009 0.000 1.122 84 E HN 0.609 nan 8.360 nan 0.000 0.366 85 E N 0.311 120.495 120.200 -0.027 0.000 1.916 85 E HA -0.278 4.072 4.350 -0.000 0.000 0.229 85 E C 1.842 178.420 176.600 -0.037 0.000 0.921 85 E CA 1.769 58.141 56.400 -0.046 0.000 0.879 85 E CB -0.929 28.734 29.700 -0.061 0.000 0.807 85 E HN 0.773 nan 8.360 nan 0.000 0.586 86 G N 1.029 109.806 108.800 -0.038 0.000 3.879 86 G HA2 -0.336 3.624 3.960 -0.000 0.000 0.318 86 G HA3 -0.336 3.624 3.960 -0.000 0.000 0.318 86 G C 0.559 175.433 174.900 -0.044 0.000 1.344 86 G CA 1.085 46.170 45.100 -0.024 0.000 1.024 86 G HN 0.429 nan 8.290 nan 0.000 0.681 87 D N -0.555 119.829 120.400 -0.027 0.000 3.443 87 D HA 0.469 5.109 4.640 -0.000 0.000 0.199 87 D C 0.146 176.359 176.300 -0.146 0.000 1.137 87 D CA -0.271 53.700 54.000 -0.048 0.000 1.258 87 D CB -0.316 40.562 40.800 0.129 0.000 1.001 87 D HN 0.369 nan 8.370 nan 0.000 0.320 88 W N 1.138 122.248 121.300 -0.318 0.000 2.238 88 W HA 0.423 5.083 4.660 -0.000 0.000 0.321 88 W C 0.558 176.706 176.519 -0.618 0.000 1.293 88 W CA -0.176 56.779 57.345 -0.650 0.000 1.204 88 W CB 0.149 28.928 29.460 -1.136 0.000 1.167 88 W HN 0.057 nan 8.180 nan 0.000 0.553 89 T N -0.713 113.662 114.554 -0.299 0.000 2.864 89 T HA 0.815 5.165 4.350 -0.000 0.000 0.299 89 T C -0.909 173.911 174.700 0.199 0.000 1.166 89 T CA -1.004 61.118 62.100 0.038 0.000 1.007 89 T CB 1.980 70.839 68.868 -0.015 0.000 1.219 89 T HN 0.801 nan 8.240 nan 0.000 0.506 90 A N 1.841 124.839 122.820 0.296 0.000 3.370 90 A HA 0.597 4.917 4.320 -0.000 0.000 0.295 90 A C 0.202 177.825 177.584 0.066 0.000 1.030 90 A CA -0.701 51.420 52.037 0.140 0.000 0.883 90 A CB -0.093 18.998 19.000 0.153 0.000 1.191 90 A HN 0.854 nan 8.150 nan 0.000 0.507 91 T N 0.663 115.209 114.554 -0.012 0.000 2.919 91 T HA 0.328 4.678 4.350 -0.000 0.000 0.302 91 T C 0.374 175.051 174.700 -0.038 0.000 1.031 91 T CA 0.228 62.316 62.100 -0.020 0.000 1.127 91 T CB 1.483 70.320 68.868 -0.052 0.000 0.952 91 T HN 0.635 nan 8.240 nan 0.000 0.540 92 V N 4.015 123.928 119.914 -0.002 0.000 2.567 92 V HA 0.361 4.481 4.120 -0.000 0.000 0.289 92 V C 0.392 176.490 176.094 0.007 0.000 1.049 92 V CA 0.065 62.371 62.300 0.010 0.000 0.969 92 V CB 1.434 33.277 31.823 0.034 0.000 0.995 92 V HN 0.791 nan 8.190 nan 0.000 0.471 93 V N 4.201 124.136 119.914 0.034 0.000 2.996 93 V HA 0.359 4.479 4.120 -0.000 0.000 0.235 93 V C 0.212 176.358 176.094 0.087 0.000 1.205 93 V CA 0.672 63.011 62.300 0.066 0.000 1.225 93 V CB 0.726 32.619 31.823 0.117 0.000 0.995 93 V HN 0.921 nan 8.190 nan 0.000 0.484 94 D N -1.149 119.311 120.400 0.099 0.000 2.552 94 D HA 0.503 5.143 4.640 -0.000 0.000 0.239 94 D C -0.812 175.524 176.300 0.060 0.000 1.139 94 D CA -0.347 53.699 54.000 0.077 0.000 0.914 94 D CB 2.128 42.979 40.800 0.085 0.000 1.461 94 D HN 0.051 nan 8.370 nan 0.000 0.462 95 Q N 1.284 121.109 119.800 0.042 0.000 3.316 95 Q HA 0.113 4.453 4.340 -0.000 0.000 0.295 95 Q C -0.796 175.218 176.000 0.024 0.000 0.805 95 Q CA -0.379 55.444 55.803 0.033 0.000 0.914 95 Q CB 1.295 30.049 28.738 0.027 0.000 1.514 95 Q HN 0.309 nan 8.270 nan 0.000 0.387 96 Q N 1.706 121.519 119.800 0.022 0.000 2.667 96 Q HA -0.134 4.206 4.340 -0.000 0.000 0.185 96 Q C 0.076 176.083 176.000 0.011 0.000 1.117 96 Q CA 0.905 56.717 55.803 0.014 0.000 0.937 96 Q CB -0.393 28.351 28.738 0.010 0.000 1.710 96 Q HN 0.586 nan 8.270 nan 0.000 0.447 97 D N -1.279 119.128 120.400 0.011 0.000 4.331 97 D HA -0.309 4.331 4.640 -0.000 0.000 0.234 97 D C 0.830 177.135 176.300 0.009 0.000 1.221 97 D CA 2.459 56.464 54.000 0.008 0.000 2.279 97 D CB -0.955 39.849 40.800 0.006 0.000 1.210 97 D HN 0.598 nan 8.370 nan 0.000 0.417 98 C N 0.829 120.135 119.300 0.009 0.000 2.735 98 C HA 0.227 4.687 4.460 -0.000 0.000 0.271 98 C C 1.443 176.441 174.990 0.013 0.000 1.281 98 C CA 0.495 59.518 59.018 0.009 0.000 1.719 98 C CB -0.574 27.171 27.740 0.007 0.000 2.024 98 C HN 0.627 nan 8.230 nan 0.000 0.566 99 T N -0.858 113.706 114.554 0.017 0.000 2.938 99 T HA 0.715 5.065 4.350 -0.000 0.000 0.285 99 T C -1.103 173.617 174.700 0.032 0.000 1.028 99 T CA -0.521 61.594 62.100 0.025 0.000 1.005 99 T CB 1.889 70.771 68.868 0.024 0.000 1.157 99 T HN 0.116 nan 8.240 nan 0.000 0.550 100 L N 0.664 121.914 121.223 0.045 0.000 2.596 100 L HA 0.614 4.954 4.340 -0.000 0.000 0.265 100 L C -1.100 175.818 176.870 0.080 0.000 0.962 100 L CA -0.247 54.627 54.840 0.056 0.000 0.891 100 L CB 2.080 44.170 42.059 0.052 0.000 1.248 100 L HN 0.791 nan 8.230 nan 0.000 0.410 101 S N 6.000 121.758 115.700 0.097 0.000 2.429 101 S HA 0.851 5.321 4.470 -0.000 0.000 0.302 101 S C -0.460 174.224 174.600 0.139 0.000 1.115 101 S CA -0.575 57.717 58.200 0.154 0.000 1.095 101 S CB 0.629 63.952 63.200 0.205 0.000 0.987 101 S HN 0.667 nan 8.310 nan 0.000 0.474 102 L N 1.385 122.664 121.223 0.094 0.000 2.277 102 L HA 0.716 5.056 4.340 -0.000 0.000 0.254 102 L C -1.079 175.672 176.870 -0.198 0.000 1.044 102 L CA -1.104 53.719 54.840 -0.028 0.000 0.842 102 L CB 1.724 43.778 42.059 -0.009 0.000 1.422 102 L HN 0.342 nan 8.230 nan 0.000 0.422 103 Q N 1.604 121.212 119.800 -0.320 0.000 2.347 103 Q HA 0.515 4.855 4.340 -0.000 0.000 0.265 103 Q C -1.567 174.142 176.000 -0.485 0.000 1.024 103 Q CA -0.714 54.782 55.803 -0.511 0.000 0.731 103 Q CB 2.473 30.853 28.738 -0.596 0.000 1.245 103 Q HN 0.446 nan 8.270 nan 0.000 0.472 104 L N 1.662 122.445 121.223 -0.733 0.000 2.371 104 L HA 0.415 4.755 4.340 -0.000 0.000 0.272 104 L C 0.265 176.817 176.870 -0.529 0.000 1.124 104 L CA 0.500 54.951 54.840 -0.648 0.000 0.816 104 L CB 1.423 42.899 42.059 -0.970 0.000 1.129 104 L HN 0.450 nan 8.230 nan 0.000 0.448 105 T N 0.817 115.181 114.554 -0.315 0.000 2.881 105 T HA 0.484 4.834 4.350 -0.000 0.000 0.291 105 T C -0.147 174.306 174.700 -0.411 0.000 0.990 105 T CA -0.757 61.178 62.100 -0.276 0.000 0.976 105 T CB 1.264 69.989 68.868 -0.239 0.000 0.970 105 T HN 0.720 nan 8.240 nan 0.000 0.438 106 T N 2.064 116.323 114.554 -0.492 0.000 2.918 106 T HA 0.644 4.994 4.350 -0.000 0.000 0.283 106 T C -2.686 171.557 174.700 -0.762 0.000 1.001 106 T CA -2.116 59.367 62.100 -1.029 0.000 1.041 106 T CB 1.069 69.389 68.868 -0.913 0.000 1.028 106 T HN 0.235 nan 8.240 nan 0.000 0.511 107 P HA 0.289 nan 4.420 nan 0.000 0.277 107 P C 0.544 177.669 177.300 -0.291 0.000 1.240 107 P CA -0.551 62.269 63.100 -0.468 0.000 0.798 107 P CB 0.781 32.242 31.700 -0.399 0.000 0.979 108 A N 2.699 125.417 122.820 -0.170 0.000 2.178 108 A HA -0.161 4.159 4.320 -0.000 0.000 0.218 108 A C 1.172 178.733 177.584 -0.038 0.000 1.157 108 A CA 1.381 53.367 52.037 -0.085 0.000 0.689 108 A CB -1.124 17.843 19.000 -0.055 0.000 0.787 108 A HN 0.723 nan 8.150 nan 0.000 0.465 109 N N -0.816 117.853 118.700 -0.052 0.000 2.351 109 N HA 0.375 5.115 4.740 -0.000 0.000 0.254 109 N C -0.082 175.428 175.510 0.001 0.000 1.241 109 N CA 0.336 53.387 53.050 0.002 0.000 0.883 109 N CB -0.469 38.035 38.487 0.028 0.000 1.202 109 N HN 0.215 nan 8.380 nan 0.000 0.512 110 A N 1.881 124.667 122.820 -0.057 0.000 2.477 110 A HA 0.393 4.713 4.320 -0.000 0.000 0.246 110 A C -2.060 175.571 177.584 0.077 0.000 1.078 110 A CA -0.871 51.179 52.037 0.022 0.000 0.770 110 A CB -0.107 18.806 19.000 -0.145 0.000 1.011 110 A HN 0.259 nan 8.150 nan 0.000 0.494 111 P HA 0.111 nan 4.420 nan 0.000 0.269 111 P C -0.402 176.979 177.300 0.134 0.000 1.209 111 P CA -0.083 63.088 63.100 0.119 0.000 0.776 111 P CB 0.485 32.268 31.700 0.139 0.000 0.876 112 I N 1.271 121.824 120.570 -0.029 0.000 2.529 112 I HA 0.514 4.684 4.170 -0.000 0.000 0.284 112 I C 1.403 177.545 176.117 0.042 0.000 1.082 112 I CA 0.743 62.016 61.300 -0.045 0.000 1.406 112 I CB -0.265 37.613 38.000 -0.203 0.000 1.405 112 I HN 0.711 nan 8.210 nan 0.000 0.548 113 G N 5.620 114.473 108.800 0.088 0.000 2.352 113 G HA2 0.097 4.057 3.960 -0.000 0.000 0.283 113 G HA3 0.097 4.057 3.960 -0.000 0.000 0.283 113 G C -1.652 173.248 174.900 -0.000 0.000 1.308 113 G CA -0.961 44.137 45.100 -0.003 0.000 0.892 113 G HN 0.484 nan 8.290 nan 0.000 0.504 114 L N 0.554 121.715 121.223 -0.102 0.000 2.290 114 L HA 0.655 4.995 4.340 -0.000 0.000 0.284 114 L C -0.843 175.888 176.870 -0.231 0.000 1.078 114 L CA -0.671 54.112 54.840 -0.093 0.000 0.815 114 L CB 0.552 42.551 42.059 -0.100 0.000 1.162 114 L HN 0.589 nan 8.230 nan 0.000 0.435 115 Y N 3.785 123.924 120.300 -0.268 0.000 2.485 115 Y HA 0.466 5.016 4.550 -0.000 0.000 0.345 115 Y C -0.117 175.566 175.900 -0.362 0.000 0.998 115 Y CA -0.805 57.049 58.100 -0.410 0.000 1.059 115 Y CB 1.792 39.738 38.460 -0.855 0.000 1.234 115 Y HN 0.429 nan 8.280 nan 0.000 0.461 116 R N 2.697 123.201 120.500 0.005 0.000 2.295 116 R HA 0.472 4.812 4.340 -0.000 0.000 0.324 116 R C -1.615 174.673 176.300 -0.020 0.000 0.968 116 R CA -0.992 55.091 56.100 -0.029 0.000 0.837 116 R CB 1.432 31.754 30.300 0.037 0.000 1.133 116 R HN 0.427 nan 8.270 nan 0.000 0.450 117 L N 1.861 123.071 121.223 -0.022 0.000 2.298 117 L HA 0.449 4.789 4.340 -0.000 0.000 0.284 117 L C -0.841 176.097 176.870 0.112 0.000 1.013 117 L CA 0.204 55.153 54.840 0.181 0.000 0.824 117 L CB 1.753 44.070 42.059 0.431 0.000 1.221 117 L HN 0.489 nan 8.230 nan 0.000 0.418 118 S N 4.734 120.510 115.700 0.126 0.000 2.536 118 S HA 0.830 5.300 4.470 -0.000 0.000 0.271 118 S C -1.380 173.241 174.600 0.035 0.000 1.134 118 S CA -0.689 57.551 58.200 0.066 0.000 0.897 118 S CB 1.315 64.518 63.200 0.004 0.000 1.094 118 S HN 0.642 nan 8.310 nan 0.000 0.473 119 L N 1.089 122.266 121.223 -0.077 0.000 2.301 119 L HA 0.801 5.141 4.340 -0.000 0.000 0.264 119 L C -0.414 176.316 176.870 -0.234 0.000 1.016 119 L CA -0.702 53.952 54.840 -0.311 0.000 0.821 119 L CB 0.449 42.055 42.059 -0.754 0.000 1.346 119 L HN 0.665 nan 8.230 nan 0.000 0.429 120 E N 0.544 120.585 120.200 -0.264 0.000 2.202 120 E HA 0.685 5.035 4.350 -0.000 0.000 0.272 120 E C 0.082 176.577 176.600 -0.175 0.000 0.951 120 E CA -0.723 55.572 56.400 -0.176 0.000 0.813 120 E CB 2.180 31.796 29.700 -0.140 0.000 1.151 120 E HN 0.870 nan 8.360 nan 0.000 0.398 121 A N 2.390 125.137 122.820 -0.121 0.000 3.370 121 A HA 0.247 4.567 4.320 -0.000 0.000 0.144 121 A C 0.604 178.130 177.584 -0.095 0.000 1.018 121 A CA 0.639 52.614 52.037 -0.102 0.000 1.131 121 A CB -0.011 18.947 19.000 -0.071 0.000 1.121 121 A HN 0.467 nan 8.150 nan 0.000 0.590 134 H N -0.789 118.354 119.070 0.120 0.000 2.895 134 H HA 0.612 5.168 4.556 -0.000 0.000 0.373 134 H C -1.228 174.183 175.328 0.138 0.000 1.174 134 H CA -0.408 55.664 56.048 0.040 0.000 1.144 134 H CB 2.295 32.040 29.762 -0.029 0.000 1.793 134 H HN 0.605 nan 8.280 nan 0.000 0.551 135 F N -0.439 119.652 119.950 0.236 0.000 2.611 135 F HA 0.717 5.244 4.527 -0.000 0.000 0.324 135 F C -0.929 174.953 175.800 0.136 0.000 1.061 135 F CA -1.279 56.774 58.000 0.088 0.000 0.954 135 F CB 1.372 40.325 39.000 -0.078 0.000 1.301 135 F HN 0.237 nan 8.300 nan 0.000 0.482 136 I N 2.811 123.543 120.570 0.270 0.000 2.389 136 I HA 0.309 4.479 4.170 -0.000 0.000 0.288 136 I C -1.386 174.872 176.117 0.235 0.000 0.999 136 I CA -0.827 60.599 61.300 0.211 0.000 1.129 136 I CB 1.886 39.958 38.000 0.119 0.000 1.288 136 I HN 0.483 nan 8.210 nan 0.000 0.444 137 L N 8.162 129.581 121.223 0.327 0.000 2.257 137 L HA 0.525 4.865 4.340 -0.000 0.000 0.290 137 L C -0.589 176.351 176.870 0.117 0.000 1.044 137 L CA 0.084 55.053 54.840 0.214 0.000 0.810 137 L CB 0.655 42.894 42.059 0.300 0.000 1.193 137 L HN 0.441 nan 8.230 nan 0.000 0.425 138 L N 3.484 124.757 121.223 0.084 0.000 2.335 138 L HA 0.527 4.867 4.340 -0.000 0.000 0.268 138 L C -0.271 176.649 176.870 0.084 0.000 1.016 138 L CA -0.942 53.961 54.840 0.106 0.000 0.805 138 L CB 0.861 43.049 42.059 0.214 0.000 1.311 138 L HN 0.306 nan 8.230 nan 0.000 0.456 139 F N 0.277 120.337 119.950 0.185 0.000 2.490 139 F HA 0.105 4.632 4.527 -0.000 0.000 0.336 139 F C 0.691 176.630 175.800 0.233 0.000 1.178 139 F CA 0.149 58.257 58.000 0.181 0.000 1.301 139 F CB 0.246 39.345 39.000 0.165 0.000 1.175 139 F HN 0.361 nan 8.300 nan 0.000 0.593 140 N N 0.900 119.861 118.700 0.436 0.000 2.626 140 N HA 0.360 5.100 4.740 -0.000 0.000 0.249 140 N C 0.208 175.979 175.510 0.435 0.000 1.021 140 N CA -0.176 53.140 53.050 0.444 0.000 0.886 140 N CB 1.334 40.014 38.487 0.321 0.000 1.149 140 N HN 0.615 nan 8.380 nan 0.000 0.517 141 A N 2.971 126.024 122.820 0.389 0.000 2.172 141 A HA -0.041 4.279 4.320 -0.000 0.000 0.216 141 A C 1.270 178.877 177.584 0.038 0.000 1.154 141 A CA 0.618 52.686 52.037 0.052 0.000 0.701 141 A CB -0.402 18.389 19.000 -0.349 0.000 0.789 141 A HN 0.767 nan 8.150 nan 0.000 0.465 142 W N -1.707 119.719 121.300 0.209 0.000 2.942 142 W HA 0.145 4.805 4.660 -0.000 0.000 0.263 142 W C 0.704 177.397 176.519 0.291 0.000 1.296 142 W CA -0.396 57.093 57.345 0.240 0.000 1.504 142 W CB -0.368 29.191 29.460 0.164 0.000 1.096 142 W HN 0.284 nan 8.180 nan 0.000 0.639 143 C N 3.399 122.949 119.300 0.416 0.000 2.281 143 C HA 0.225 4.685 4.460 -0.000 0.000 0.336 143 C C -0.646 174.223 174.990 -0.200 0.000 1.217 143 C CA -1.925 57.160 59.018 0.112 0.000 1.730 143 C CB 0.124 27.919 27.740 0.091 0.000 2.338 143 C HN -0.066 nan 8.230 nan 0.000 0.521 144 P HA -0.160 nan 4.420 nan 0.000 0.218 144 P C 1.219 178.236 177.300 -0.473 0.000 1.147 144 P CA 2.313 64.695 63.100 -1.197 0.000 0.827 144 P CB 0.170 31.437 31.700 -0.722 0.000 0.778 145 A N -1.718 120.965 122.820 -0.228 0.000 2.095 145 A HA -0.016 4.304 4.320 -0.000 0.000 0.212 145 A C 1.242 178.816 177.584 -0.017 0.000 1.162 145 A CA 0.139 52.117 52.037 -0.099 0.000 0.753 145 A CB -0.724 18.226 19.000 -0.084 0.000 0.840 145 A HN 0.086 nan 8.150 nan 0.000 0.468 146 D N 0.036 120.453 120.400 0.028 0.000 2.423 146 D HA 0.287 4.927 4.640 -0.000 0.000 0.238 146 D C 1.339 177.724 176.300 0.141 0.000 1.142 146 D CA 0.661 54.731 54.000 0.116 0.000 0.884 146 D CB 1.245 42.159 40.800 0.190 0.000 1.199 146 D HN 0.120 nan 8.370 nan 0.000 0.438 147 A N 2.833 125.739 122.820 0.144 0.000 2.070 147 A HA -0.115 4.205 4.320 -0.000 0.000 0.220 147 A C 1.818 179.441 177.584 0.064 0.000 1.159 147 A CA 1.562 53.655 52.037 0.092 0.000 0.656 147 A CB -0.381 18.676 19.000 0.094 0.000 0.800 147 A HN 0.563 nan 8.150 nan 0.000 0.453 148 V N -3.950 116.044 119.914 0.135 0.000 3.421 148 V HA 0.271 4.391 4.120 -0.000 0.000 0.316 148 V C 0.538 176.772 176.094 0.233 0.000 1.347 148 V CA -0.789 61.582 62.300 0.118 0.000 1.183 148 V CB -1.678 30.186 31.823 0.067 0.000 1.092 148 V HN 0.361 nan 8.190 nan 0.000 0.433 149 Y N 1.681 122.048 120.300 0.112 0.000 2.721 149 Y HA 0.366 4.916 4.550 -0.000 0.000 0.329 149 Y C -0.004 175.982 175.900 0.144 0.000 1.211 149 Y CA -0.526 57.633 58.100 0.098 0.000 1.512 149 Y CB 0.354 38.861 38.460 0.079 0.000 1.249 149 Y HN 0.322 nan 8.280 nan 0.000 0.549 150 L N 7.543 128.439 121.223 -0.544 0.000 2.280 150 L HA 0.140 4.480 4.340 -0.000 0.000 0.287 150 L C 1.331 177.545 176.870 -1.094 0.000 1.023 150 L CA -0.349 54.057 54.840 -0.723 0.000 0.819 150 L CB 1.091 42.760 42.059 -0.650 0.000 1.212 150 L HN 0.798 nan 8.230 nan 0.000 0.420 151 D N 1.735 121.610 120.400 -0.874 0.000 2.239 151 D HA -0.153 4.487 4.640 -0.000 0.000 0.202 151 D C 0.459 176.544 176.300 -0.359 0.000 0.993 151 D CA 1.085 54.736 54.000 -0.582 0.000 0.874 151 D CB 0.545 41.191 40.800 -0.256 0.000 0.922 151 D HN 0.480 nan 8.370 nan 0.000 0.464 152 S N -1.048 114.433 115.700 -0.365 0.000 2.548 152 S HA 0.285 4.755 4.470 -0.000 0.000 0.286 152 S C 0.642 175.088 174.600 -0.257 0.000 1.098 152 S CA -0.864 57.194 58.200 -0.236 0.000 0.930 152 S CB 2.410 65.505 63.200 -0.176 0.000 1.070 152 S HN -0.127 nan 8.310 nan 0.000 0.480 153 E N 1.981 122.088 120.200 -0.155 0.000 2.058 153 E HA -0.199 4.151 4.350 -0.000 0.000 0.194 153 E C 1.900 178.410 176.600 -0.150 0.000 0.997 153 E CA 2.110 58.437 56.400 -0.122 0.000 0.801 153 E CB -0.340 29.359 29.700 -0.002 0.000 0.746 153 E HN 0.974 nan 8.360 nan 0.000 0.450 154 E N 0.463 120.583 120.200 -0.133 0.000 2.118 154 E HA -0.209 4.141 4.350 -0.000 0.000 0.195 154 E C 1.821 178.270 176.600 -0.252 0.000 0.992 154 E CA 1.340 57.651 56.400 -0.149 0.000 0.804 154 E CB -0.335 29.295 29.700 -0.117 0.000 0.741 154 E HN 0.303 nan 8.360 nan 0.000 0.458 155 E N 0.635 120.660 120.200 -0.293 0.000 2.152 155 E HA -0.066 4.284 4.350 -0.000 0.000 0.192 155 E C 2.239 178.611 176.600 -0.380 0.000 0.983 155 E CA 0.531 56.696 56.400 -0.391 0.000 0.818 155 E CB 0.010 29.562 29.700 -0.247 0.000 0.758 155 E HN 0.281 nan 8.360 nan 0.000 0.467 156 R N 0.519 120.777 120.500 -0.403 0.000 2.090 156 R HA -0.056 4.284 4.340 -0.000 0.000 0.228 156 R C 2.371 178.487 176.300 -0.306 0.000 1.110 156 R CA 0.724 56.510 56.100 -0.524 0.000 0.973 156 R CB -0.043 29.654 30.300 -1.006 0.000 0.869 156 R HN 0.124 nan 8.270 nan 0.000 0.440 157 Q N 0.639 120.324 119.800 -0.192 0.000 2.084 157 Q HA -0.200 4.140 4.340 -0.000 0.000 0.202 157 Q C 1.941 177.885 176.000 -0.093 0.000 0.978 157 Q CA 1.523 57.299 55.803 -0.045 0.000 0.844 157 Q CB -0.030 28.689 28.738 -0.032 0.000 0.898 157 Q HN 0.251 nan 8.270 nan 0.000 0.426 158 E N -0.042 120.001 120.200 -0.262 0.000 2.028 158 E HA -0.142 4.208 4.350 -0.000 0.000 0.190 158 E C 1.490 177.942 176.600 -0.247 0.000 0.984 158 E CA 1.224 57.416 56.400 -0.348 0.000 0.800 158 E CB -0.230 29.063 29.700 -0.678 0.000 0.758 158 E HN 0.326 nan 8.360 nan 0.000 0.448 159 Y N -0.816 119.444 120.300 -0.066 0.000 2.561 159 Y HA 0.123 4.673 4.550 -0.000 0.000 0.291 159 Y C 1.756 177.616 175.900 -0.067 0.000 1.141 159 Y CA 0.295 58.363 58.100 -0.053 0.000 1.303 159 Y CB 0.209 38.681 38.460 0.020 0.000 1.015 159 Y HN -0.020 nan 8.280 nan 0.000 0.547 160 V N -1.952 118.002 119.914 0.067 0.000 3.103 160 V HA -0.007 4.113 4.120 -0.000 0.000 0.229 160 V C 1.782 177.993 176.094 0.196 0.000 1.304 160 V CA 0.361 62.733 62.300 0.119 0.000 1.298 160 V CB -0.075 31.830 31.823 0.137 0.000 1.093 160 V HN 0.116 nan 8.190 nan 0.000 0.489 161 L N 0.755 122.127 121.223 0.248 0.000 2.127 161 L HA 0.086 4.426 4.340 -0.000 0.000 0.203 161 L C 1.557 178.547 176.870 0.200 0.000 1.080 161 L CA 1.269 56.342 54.840 0.387 0.000 0.768 161 L CB -0.606 41.704 42.059 0.419 0.000 0.924 161 L HN 0.514 nan 8.230 nan 0.000 0.444 162 T N -1.527 113.079 114.554 0.087 0.000 2.853 162 T HA 0.015 4.365 4.350 -0.000 0.000 0.298 162 T C 0.570 175.291 174.700 0.036 0.000 0.978 162 T CA -0.232 61.904 62.100 0.061 0.000 1.152 162 T CB 0.996 69.877 68.868 0.022 0.000 0.914 162 T HN 0.262 nan 8.240 nan 0.000 0.539 163 Q N 1.420 121.257 119.800 0.062 0.000 2.280 163 Q HA 0.132 4.472 4.340 -0.000 0.000 0.201 163 Q C 0.206 176.314 176.000 0.179 0.000 0.890 163 Q CA -0.094 55.757 55.803 0.080 0.000 0.947 163 Q CB 0.367 29.107 28.738 0.003 0.000 1.081 163 Q HN 0.662 nan 8.270 nan 0.000 0.502 164 Q N -0.316 119.568 119.800 0.140 0.000 2.387 164 Q HA 0.749 5.089 4.340 -0.000 0.000 0.273 164 Q C -0.124 175.876 176.000 -0.001 0.000 1.089 164 Q CA -0.497 55.309 55.803 0.005 0.000 0.824 164 Q CB 2.368 31.057 28.738 -0.081 0.000 1.367 164 Q HN 0.169 nan 8.270 nan 0.000 0.443 165 G N -0.035 108.616 108.800 -0.249 0.000 2.561 165 G HA2 0.681 4.641 3.960 -0.000 0.000 0.310 165 G HA3 0.681 4.641 3.960 -0.000 0.000 0.310 165 G C -1.847 172.665 174.900 -0.648 0.000 1.292 165 G CA -0.612 44.321 45.100 -0.278 0.000 0.811 165 G HN 0.310 nan 8.290 nan 0.000 0.482 166 F N -0.448 119.418 119.950 -0.140 0.000 2.576 166 F HA 0.673 5.200 4.527 -0.000 0.000 0.313 166 F C -0.130 175.403 175.800 -0.444 0.000 1.078 166 F CA -0.812 56.951 58.000 -0.395 0.000 0.921 166 F CB 2.788 41.433 39.000 -0.592 0.000 1.232 166 F HN 0.121 nan 8.300 nan 0.000 0.459 167 I N 3.141 123.519 120.570 -0.320 0.000 2.411 167 I HA 0.244 4.414 4.170 -0.000 0.000 0.284 167 I C -1.132 174.628 176.117 -0.595 0.000 1.012 167 I CA -0.729 60.346 61.300 -0.375 0.000 1.119 167 I CB 1.134 38.943 38.000 -0.318 0.000 1.261 167 I HN 0.466 nan 8.210 nan 0.000 0.448 168 Y N 5.971 126.096 120.300 -0.292 0.000 2.402 168 Y HA 0.247 4.797 4.550 -0.000 0.000 0.333 168 Y C 0.709 176.215 175.900 -0.656 0.000 1.076 168 Y CA 0.235 58.115 58.100 -0.367 0.000 1.299 168 Y CB 0.530 38.847 38.460 -0.238 0.000 1.197 168 Y HN 0.564 nan 8.280 nan 0.000 0.517 169 Q N 0.994 120.443 119.800 -0.586 0.000 3.249 169 Q HA 0.689 5.029 4.340 -0.000 0.000 0.356 169 Q C 0.478 176.215 176.000 -0.439 0.000 0.851 169 Q CA -0.543 54.650 55.803 -1.018 0.000 0.846 169 Q CB 1.887 30.098 28.738 -0.879 0.000 1.530 169 Q HN 0.802 nan 8.270 nan 0.000 0.443 170 G N 1.197 109.828 108.800 -0.281 0.000 2.554 170 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.253 170 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.253 170 G C -0.415 174.605 174.900 0.201 0.000 1.172 170 G CA 0.014 44.988 45.100 -0.210 0.000 0.950 170 G HN 0.848 nan 8.290 nan 0.000 0.557 171 S N -0.960 114.799 115.700 0.099 0.000 2.564 171 S HA 0.769 5.239 4.470 -0.000 0.000 0.274 171 S C 1.300 175.735 174.600 -0.275 0.000 1.124 171 S CA 0.774 59.059 58.200 0.141 0.000 0.869 171 S CB 1.290 64.607 63.200 0.194 0.000 1.105 171 S HN 2.340 nan 8.310 nan 0.000 0.472 172 A N 2.933 125.577 122.820 -0.293 0.000 1.958 172 A HA -0.121 4.199 4.320 -0.000 0.000 0.221 172 A C 1.787 179.191 177.584 -0.300 0.000 1.178 172 A CA 1.937 53.680 52.037 -0.489 0.000 0.642 172 A CB -0.645 18.290 19.000 -0.109 0.000 0.816 172 A HN 0.837 nan 8.150 nan 0.000 0.453 173 K N -3.135 117.201 120.400 -0.107 0.000 2.404 173 K HA 0.222 4.542 4.320 -0.000 0.000 0.194 173 K C -0.696 175.948 176.600 0.073 0.000 1.023 173 K CA 0.065 56.339 56.287 -0.020 0.000 1.094 173 K CB 0.212 32.734 32.500 0.036 0.000 0.841 173 K HN 0.399 nan 8.250 nan 0.000 0.523 174 F N 1.191 121.037 119.950 -0.174 0.000 3.159 174 F HA 0.305 4.832 4.527 -0.000 0.000 0.394 174 F C -0.954 174.692 175.800 -0.257 0.000 1.214 174 F CA -0.805 57.099 58.000 -0.160 0.000 1.241 174 F CB 0.524 39.483 39.000 -0.068 0.000 2.238 174 F HN -0.236 nan 8.300 nan 0.000 0.658 175 I N 4.982 125.257 120.570 -0.493 0.000 2.533 175 I HA 0.129 4.299 4.170 -0.000 0.000 0.284 175 I C 0.131 175.964 176.117 -0.472 0.000 1.109 175 I CA 0.117 61.155 61.300 -0.437 0.000 1.412 175 I CB 0.395 38.169 38.000 -0.377 0.000 1.396 175 I HN 0.229 nan 8.210 nan 0.000 0.543 176 K N 5.926 126.088 120.400 -0.397 0.000 2.207 176 K HA 0.357 4.677 4.320 -0.000 0.000 0.255 176 K C -0.706 175.684 176.600 -0.350 0.000 0.941 176 K CA -0.731 55.303 56.287 -0.421 0.000 0.825 176 K CB 1.748 33.913 32.500 -0.558 0.000 1.119 176 K HN 0.580 nan 8.250 nan 0.000 0.430 177 N N 2.597 121.052 118.700 -0.407 0.000 2.511 177 N HA 0.197 4.937 4.740 -0.000 0.000 0.249 177 N C -0.667 174.584 175.510 -0.431 0.000 0.971 177 N CA -0.581 52.072 53.050 -0.660 0.000 0.938 177 N CB 0.777 38.668 38.487 -0.994 0.000 1.131 177 N HN 0.209 nan 8.380 nan 0.000 0.505 178 I N 3.545 123.915 120.570 -0.332 0.000 2.352 178 I HA 0.289 4.459 4.170 -0.000 0.000 0.290 178 I C -1.858 174.293 176.117 0.056 0.000 1.036 178 I CA -2.469 58.763 61.300 -0.114 0.000 1.336 178 I CB 0.982 38.882 38.000 -0.166 0.000 1.407 178 I HN 0.408 nan 8.210 nan 0.000 0.497 179 P HA 0.027 nan 4.420 nan 0.000 0.272 179 P C -0.981 176.323 177.300 0.006 0.000 1.223 179 P CA -0.350 62.729 63.100 -0.036 0.000 0.784 179 P CB 0.954 32.633 31.700 -0.035 0.000 0.923 180 W N 3.118 124.177 121.300 -0.400 0.000 3.425 180 W HA 0.203 4.863 4.660 -0.000 0.000 0.318 180 W C -1.607 174.568 176.519 -0.573 0.000 1.201 180 W CA -0.512 56.555 57.345 -0.464 0.000 1.212 180 W CB 1.968 31.048 29.460 -0.632 0.000 1.355 180 W HN 0.281 nan 8.180 nan 0.000 0.515 181 N N 3.886 122.199 118.700 -0.646 0.000 2.500 181 N HA 0.225 4.965 4.740 -0.000 0.000 0.236 181 N C 0.321 175.664 175.510 -0.277 0.000 1.022 181 N CA -0.128 52.695 53.050 -0.379 0.000 0.935 181 N CB 0.170 38.477 38.487 -0.300 0.000 1.147 181 N HN 0.185 nan 8.380 nan 0.000 0.512 182 F N 2.168 122.187 119.950 0.114 0.000 2.206 182 F HA 0.190 4.717 4.527 -0.000 0.000 0.298 182 F C 2.112 177.915 175.800 0.004 0.000 1.090 182 F CA 0.893 58.982 58.000 0.150 0.000 1.323 182 F CB -0.650 38.398 39.000 0.079 0.000 1.028 182 F HN 0.638 nan 8.300 nan 0.000 0.492 183 G N 1.480 110.348 108.800 0.113 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 1.248 176.135 174.900 -0.022 0.000 0.974 183 G CA 0.723 45.829 45.100 0.009 0.000 1.062 183 G HN 0.499 nan 8.290 nan 0.000 0.514 184 Q N -0.995 118.714 119.800 -0.152 0.000 2.291 184 Q HA -0.082 4.258 4.340 -0.000 0.000 0.206 184 Q C 1.456 177.420 176.000 -0.061 0.000 0.976 184 Q CA 1.389 57.073 55.803 -0.198 0.000 0.875 184 Q CB -0.279 28.216 28.738 -0.404 0.000 0.927 184 Q HN 0.629 nan 8.270 nan 0.000 0.450 185 F N 1.516 121.512 119.950 0.076 0.000 2.641 185 F HA 0.349 4.876 4.527 -0.000 0.000 0.302 185 F C 0.857 176.680 175.800 0.038 0.000 1.098 185 F CA -0.918 57.118 58.000 0.059 0.000 1.318 185 F CB -0.203 38.828 39.000 0.051 0.000 1.035 185 F HN -0.034 nan 8.300 nan 0.000 0.551 186 Q N 0.607 120.504 119.800 0.162 0.000 2.454 186 Q HA -0.007 4.333 4.340 -0.000 0.000 0.247 186 Q C -0.174 175.899 176.000 0.123 0.000 1.028 186 Q CA -0.210 55.658 55.803 0.109 0.000 0.910 186 Q CB 0.575 29.349 28.738 0.059 0.000 1.276 186 Q HN 0.107 nan 8.270 nan 0.000 0.489 187 D N -0.412 120.052 120.400 0.106 0.000 2.520 187 D HA 0.062 4.702 4.640 -0.000 0.000 0.243 187 D C 0.869 177.220 176.300 0.085 0.000 1.160 187 D CA 1.840 55.898 54.000 0.096 0.000 0.877 187 D CB -0.005 40.843 40.800 0.081 0.000 1.150 187 D HN 0.692 nan 8.370 nan 0.000 0.494 188 G N 3.663 112.515 108.800 0.086 0.000 2.179 188 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.260 188 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.260 188 G C 1.103 176.058 174.900 0.092 0.000 0.977 188 G CA 0.287 45.434 45.100 0.078 0.000 0.641 188 G HN 0.520 nan 8.290 nan 0.000 0.533 189 I N 0.446 121.080 120.570 0.107 0.000 2.353 189 I HA 0.053 4.223 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 1.084 62.452 61.300 0.112 0.000 1.417 189 I CB -1.042 37.024 38.000 0.110 0.000 1.078 189 I HN 0.363 nan 8.210 nan 0.000 0.421 190 L N 0.719 122.024 121.223 0.136 0.000 2.046 190 L HA -0.249 4.091 4.340 -0.000 0.000 0.208 190 L C 2.142 179.074 176.870 0.103 0.000 1.077 190 L CA 1.796 56.717 54.840 0.136 0.000 0.747 190 L CB -0.356 41.788 42.059 0.141 0.000 0.896 190 L HN 0.245 nan 8.230 nan 0.000 0.432 191 D N -0.044 120.408 120.400 0.086 0.000 2.178 191 D HA -0.172 4.468 4.640 -0.000 0.000 0.201 191 D C 2.216 178.564 176.300 0.079 0.000 0.980 191 D CA 1.259 55.297 54.000 0.063 0.000 0.842 191 D CB 0.041 40.867 40.800 0.044 0.000 0.948 191 D HN 0.441 nan 8.370 nan 0.000 0.472 192 I N 0.472 121.109 120.570 0.111 0.000 2.353 192 I HA -0.216 3.954 4.170 -0.000 0.000 0.248 192 I C 2.330 178.556 176.117 0.181 0.000 1.119 192 I CA 0.443 61.847 61.300 0.174 0.000 1.417 192 I CB -0.103 38.017 38.000 0.200 0.000 1.078 192 I HN 0.054 nan 8.210 nan 0.000 0.421 193 C N 0.726 120.097 119.300 0.119 0.000 2.440 193 C HA -0.103 4.357 4.460 -0.000 0.000 0.278 193 C C 2.722 177.759 174.990 0.078 0.000 1.295 193 C CA 0.477 59.547 59.018 0.087 0.000 1.738 193 C CB -0.973 26.820 27.740 0.088 0.000 1.987 193 C HN 0.447 nan 8.230 nan 0.000 0.492 194 L N 0.384 121.649 121.223 0.069 0.000 2.056 194 L HA -0.125 4.215 4.340 -0.000 0.000 0.207 194 L C 2.489 179.358 176.870 -0.003 0.000 1.078 194 L CA 1.467 56.322 54.840 0.026 0.000 0.749 194 L CB -0.542 41.524 42.059 0.012 0.000 0.901 194 L HN 0.329 nan 8.230 nan 0.000 0.433 195 I N -0.334 120.261 120.570 0.042 0.000 2.208 195 I HA -0.329 3.841 4.170 -0.000 0.000 0.245 195 I C 2.543 178.735 176.117 0.124 0.000 1.097 195 I CA 1.025 62.350 61.300 0.041 0.000 1.363 195 I CB -0.284 37.760 38.000 0.074 0.000 1.051 195 I HN 0.310 nan 8.210 nan 0.000 0.413 196 L N 1.018 122.380 121.223 0.233 0.000 2.081 196 L HA -0.230 4.110 4.340 -0.000 0.000 0.212 196 L C 2.349 179.257 176.870 0.064 0.000 1.080 196 L CA 2.109 57.073 54.840 0.207 0.000 0.754 196 L CB -0.611 41.450 42.059 0.003 0.000 0.893 196 L HN 0.281 nan 8.230 nan 0.000 0.433 197 L N -0.670 120.554 121.223 0.002 0.000 2.095 197 L HA -0.151 4.189 4.340 -0.000 0.000 0.204 197 L C 1.945 178.702 176.870 -0.187 0.000 1.080 197 L CA 0.928 55.745 54.840 -0.039 0.000 0.759 197 L CB -0.640 41.416 42.059 -0.004 0.000 0.914 197 L HN 0.173 nan 8.230 nan 0.000 0.439 198 D N -0.610 119.565 120.400 -0.375 0.000 2.392 198 D HA -0.090 4.550 4.640 -0.000 0.000 0.228 198 D C 1.434 177.328 176.300 -0.677 0.000 1.003 198 D CA 0.743 54.150 54.000 -0.989 0.000 0.917 198 D CB 0.468 40.815 40.800 -0.755 0.000 0.890 198 D HN 0.092 nan 8.370 nan 0.000 0.532 199 V N 0.591 120.391 119.914 -0.189 0.000 3.253 199 V HA 0.069 4.189 4.120 -0.000 0.000 0.320 199 V C -0.073 176.083 176.094 0.103 0.000 1.442 199 V CA -0.354 61.953 62.300 0.013 0.000 1.097 199 V CB -0.091 31.764 31.823 0.053 0.000 1.008 199 V HN 0.100 nan 8.190 nan 0.000 0.463 200 N N 0.381 119.136 118.700 0.090 0.000 2.530 200 N HA 0.290 5.030 4.740 -0.000 0.000 0.277 200 N C -1.491 174.110 175.510 0.151 0.000 1.168 200 N CA -0.985 52.128 53.050 0.106 0.000 0.979 200 N CB 1.232 39.756 38.487 0.063 0.000 1.141 200 N HN -0.103 nan 8.380 nan 0.000 0.459 201 P HA -0.273 nan 4.420 nan 0.000 0.219 201 P C 0.443 177.819 177.300 0.127 0.000 1.158 201 P CA 2.189 65.353 63.100 0.106 0.000 0.895 201 P CB 0.095 31.838 31.700 0.072 0.000 0.792 202 K N -2.530 117.954 120.400 0.140 0.000 2.283 202 K HA -0.114 4.206 4.320 -0.000 0.000 0.202 202 K C 1.931 178.659 176.600 0.214 0.000 1.048 202 K CA 0.922 57.311 56.287 0.170 0.000 0.948 202 K CB -0.488 32.140 32.500 0.213 0.000 0.742 202 K HN 0.188 nan 8.250 nan 0.000 0.458 203 F N 1.149 121.150 119.950 0.084 0.000 2.335 203 F HA 0.018 4.545 4.527 -0.000 0.000 0.296 203 F C 1.574 177.405 175.800 0.050 0.000 1.091 203 F CA 0.678 58.721 58.000 0.072 0.000 1.399 203 F CB 0.161 39.204 39.000 0.072 0.000 1.067 203 F HN -0.146 nan 8.300 nan 0.000 0.520 204 L N -0.161 121.191 121.223 0.215 0.000 2.093 204 L HA -0.156 4.184 4.340 -0.000 0.000 0.208 204 L C 2.395 179.273 176.870 0.014 0.000 1.085 204 L CA 0.941 55.844 54.840 0.106 0.000 0.755 204 L CB -0.689 41.445 42.059 0.125 0.000 0.904 204 L HN -0.000 nan 8.230 nan 0.000 0.435 205 K N 0.213 120.628 120.400 0.025 0.000 2.062 205 K HA -0.025 4.295 4.320 -0.000 0.000 0.205 205 K C 0.637 177.214 176.600 -0.038 0.000 1.051 205 K CA 0.861 57.150 56.287 0.003 0.000 0.941 205 K CB -0.153 32.362 32.500 0.026 0.000 0.719 205 K HN 0.290 nan 8.250 nan 0.000 0.440 206 N N -0.962 117.699 118.700 -0.065 0.000 2.827 206 N HA 0.176 4.916 4.740 -0.000 0.000 0.240 206 N C -0.041 175.360 175.510 -0.182 0.000 1.352 206 N CA 0.009 52.996 53.050 -0.104 0.000 0.760 206 N CB 0.787 39.246 38.487 -0.047 0.000 1.426 206 N HN -0.055 nan 8.380 nan 0.000 0.561 207 A N 1.650 124.228 122.820 -0.404 0.000 1.986 207 A HA -0.080 4.240 4.320 -0.000 0.000 0.220 207 A C 1.994 179.398 177.584 -0.300 0.000 1.171 207 A CA 2.078 53.668 52.037 -0.744 0.000 0.640 207 A CB -0.698 17.570 19.000 -1.219 0.000 0.811 207 A HN 0.691 nan 8.150 nan 0.000 0.451 208 G N -0.991 107.698 108.800 -0.185 0.000 2.402 208 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.216 208 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.216 208 G C 1.718 176.587 174.900 -0.050 0.000 1.162 208 G CA 0.625 45.671 45.100 -0.090 0.000 0.777 208 G HN 0.384 nan 8.290 nan 0.000 0.539 209 R N 0.463 120.933 120.500 -0.050 0.000 2.073 209 R HA -0.005 4.335 4.340 -0.000 0.000 0.229 209 R C 2.150 178.414 176.300 -0.060 0.000 1.120 209 R CA 1.294 57.365 56.100 -0.047 0.000 0.967 209 R CB -0.934 29.347 30.300 -0.032 0.000 0.862 209 R HN 0.461 nan 8.270 nan 0.000 0.436 210 D N -0.100 120.317 120.400 0.029 0.000 2.087 210 D HA -0.169 4.471 4.640 -0.000 0.000 0.192 210 D C 1.715 178.086 176.300 0.119 0.000 0.993 210 D CA 1.808 55.901 54.000 0.156 0.000 0.828 210 D CB -0.079 40.935 40.800 0.356 0.000 0.968 210 D HN 0.126 nan 8.370 nan 0.000 0.448 211 C N -0.321 119.068 119.300 0.148 0.000 2.411 211 C HA -0.093 4.367 4.460 -0.000 0.000 0.279 211 C C 2.980 177.991 174.990 0.036 0.000 1.288 211 C CA 1.211 60.298 59.018 0.115 0.000 1.764 211 C CB -1.276 26.528 27.740 0.107 0.000 1.974 211 C HN 0.461 nan 8.230 nan 0.000 0.498 212 S N 0.053 115.747 115.700 -0.011 0.000 2.357 212 S HA -0.062 4.408 4.470 -0.000 0.000 0.221 212 S C 1.967 176.516 174.600 -0.084 0.000 1.031 212 S CA 0.923 59.107 58.200 -0.026 0.000 0.982 212 S CB -0.253 62.927 63.200 -0.034 0.000 0.853 212 S HN 0.620 nan 8.310 nan 0.000 0.458 213 R N 0.466 120.815 120.500 -0.250 0.000 2.316 213 R HA 0.169 4.509 4.340 -0.000 0.000 0.202 213 R C 1.435 177.539 176.300 -0.326 0.000 1.029 213 R CA 0.378 56.175 56.100 -0.504 0.000 1.018 213 R CB -0.096 29.503 30.300 -1.167 0.000 0.888 213 R HN 0.337 nan 8.270 nan 0.000 0.471 214 R N 0.468 120.946 120.500 -0.037 0.000 2.391 214 R HA -0.001 4.339 4.340 -0.000 0.000 0.225 214 R C 1.440 177.833 176.300 0.155 0.000 1.079 214 R CA 0.493 56.722 56.100 0.216 0.000 1.147 214 R CB 0.149 30.567 30.300 0.195 0.000 1.103 214 R HN 0.177 nan 8.270 nan 0.000 0.499 215 S N -1.476 114.294 115.700 0.116 0.000 2.492 215 S HA 0.005 4.475 4.470 -0.000 0.000 0.218 215 S C 0.975 175.728 174.600 0.255 0.000 1.016 215 S CA -0.365 57.896 58.200 0.101 0.000 0.916 215 S CB 0.497 63.744 63.200 0.078 0.000 0.791 215 S HN 0.095 nan 8.310 nan 0.000 0.513 216 S N 3.387 119.265 115.700 0.298 0.000 2.452 216 S HA 0.407 4.877 4.470 -0.000 0.000 0.284 216 S C -1.388 173.456 174.600 0.406 0.000 1.171 216 S CA -1.674 56.724 58.200 0.330 0.000 1.064 216 S CB 1.339 64.683 63.200 0.240 0.000 0.967 216 S HN 0.200 nan 8.310 nan 0.000 0.484 217 P HA -0.088 nan 4.420 nan 0.000 0.221 217 P C 1.642 178.934 177.300 -0.013 0.000 1.150 217 P CA 0.865 63.891 63.100 -0.123 0.000 0.800 217 P CB -0.121 31.331 31.700 -0.413 0.000 0.787 218 V N -1.574 118.379 119.914 0.066 0.000 2.453 218 V HA -0.224 3.896 4.120 -0.000 0.000 0.247 218 V C 2.454 178.593 176.094 0.076 0.000 1.048 218 V CA 1.359 63.697 62.300 0.063 0.000 1.049 218 V CB -1.673 30.218 31.823 0.114 0.000 0.672 218 V HN -0.066 nan 8.190 nan 0.000 0.457 219 Y N 0.901 121.234 120.300 0.056 0.000 2.163 219 Y HA -0.113 4.437 4.550 -0.000 0.000 0.288 219 Y C 2.381 178.311 175.900 0.050 0.000 1.136 219 Y CA 2.513 60.643 58.100 0.050 0.000 1.147 219 Y CB -0.303 38.210 38.460 0.089 0.000 0.987 219 Y HN 0.147 nan 8.280 nan 0.000 0.509 220 V N 0.209 120.235 119.914 0.187 0.000 2.515 220 V HA -0.239 3.881 4.120 -0.000 0.000 0.250 220 V C 2.562 178.632 176.094 -0.040 0.000 1.058 220 V CA 1.737 64.106 62.300 0.115 0.000 1.064 220 V CB -1.530 30.481 31.823 0.315 0.000 0.675 220 V HN 0.642 nan 8.190 nan 0.000 0.461 221 G N 0.093 108.858 108.800 -0.057 0.000 2.433 221 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.216 221 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.216 221 G C 1.728 176.545 174.900 -0.139 0.000 1.186 221 G CA 0.726 45.773 45.100 -0.088 0.000 0.779 221 G HN 0.422 nan 8.290 nan 0.000 0.543 222 R N -0.251 120.122 120.500 -0.212 0.000 2.127 222 R HA -0.031 4.309 4.340 -0.000 0.000 0.238 222 R C 2.630 178.774 176.300 -0.260 0.000 1.134 222 R CA 1.086 57.021 56.100 -0.275 0.000 0.975 222 R CB -0.411 29.656 30.300 -0.389 0.000 0.865 222 R HN 0.339 nan 8.270 nan 0.000 0.447 223 V N -0.047 119.688 119.914 -0.298 0.000 2.283 223 V HA -0.125 3.995 4.120 -0.000 0.000 0.243 223 V C 2.448 178.457 176.094 -0.141 0.000 1.039 223 V CA 2.071 64.231 62.300 -0.233 0.000 1.016 223 V CB -1.061 30.613 31.823 -0.248 0.000 0.650 223 V HN 0.502 nan 8.190 nan 0.000 0.449 224 G N -0.622 108.113 108.800 -0.109 0.000 2.529 224 G HA2 -0.384 3.576 3.960 -0.000 0.000 0.219 224 G HA3 -0.384 3.576 3.960 -0.000 0.000 0.219 224 G C 1.948 176.785 174.900 -0.106 0.000 1.177 224 G CA 1.616 46.663 45.100 -0.089 0.000 0.773 224 G HN 0.480 nan 8.290 nan 0.000 0.573 225 S N 0.488 116.127 115.700 -0.101 0.000 2.359 225 S HA -0.058 4.412 4.470 -0.000 0.000 0.223 225 S C 2.531 177.064 174.600 -0.110 0.000 1.039 225 S CA 2.090 60.234 58.200 -0.093 0.000 1.042 225 S CB -0.887 62.260 63.200 -0.088 0.000 0.915 225 S HN 0.545 nan 8.310 nan 0.000 0.439 226 G N 0.836 109.566 108.800 -0.116 0.000 2.422 226 G HA2 -0.112 3.848 3.960 -0.000 0.000 0.218 226 G HA3 -0.112 3.848 3.960 -0.000 0.000 0.218 226 G C 1.378 176.215 174.900 -0.105 0.000 1.140 226 G CA 0.728 45.769 45.100 -0.099 0.000 0.775 226 G HN 0.441 nan 8.290 nan 0.000 0.545 227 M N 0.539 120.067 119.600 -0.119 0.000 2.492 227 M HA 0.100 4.580 4.480 -0.000 0.000 0.262 227 M C 2.532 178.705 176.300 -0.211 0.000 1.090 227 M CA 0.330 55.550 55.300 -0.134 0.000 1.110 227 M CB -0.242 32.275 32.600 -0.138 0.000 1.407 227 M HN 0.109 nan 8.290 nan 0.000 0.470 228 V N 0.753 120.535 119.914 -0.221 0.000 2.307 228 V HA -0.225 3.895 4.120 -0.000 0.000 0.245 228 V C 2.029 177.921 176.094 -0.335 0.000 1.045 228 V CA 1.945 64.085 62.300 -0.266 0.000 1.024 228 V CB -0.397 31.311 31.823 -0.191 0.000 0.651 228 V HN 0.609 nan 8.190 nan 0.000 0.449 229 N N -3.057 115.405 118.700 -0.397 0.000 2.249 229 N HA -0.029 4.711 4.740 -0.000 0.000 0.239 229 N C 1.635 176.995 175.510 -0.250 0.000 1.185 229 N CA 0.559 53.330 53.050 -0.466 0.000 0.825 229 N CB 0.507 38.348 38.487 -1.077 0.000 1.372 229 N HN 0.383 nan 8.380 nan 0.000 0.472 230 C N 2.049 121.229 119.300 -0.201 0.000 3.617 230 C HA -0.038 4.422 4.460 -0.000 0.000 0.295 230 C C 0.768 175.718 174.990 -0.066 0.000 1.224 230 C CA 0.679 59.626 59.018 -0.119 0.000 1.817 230 C CB -1.461 26.237 27.740 -0.069 0.000 2.043 230 C HN 0.474 nan 8.230 nan 0.000 0.427 231 N N 2.499 121.182 118.700 -0.028 0.000 2.377 231 N HA -0.067 4.673 4.740 -0.000 0.000 0.299 231 N C 0.535 176.060 175.510 0.024 0.000 1.251 231 N CA 0.651 53.710 53.050 0.014 0.000 1.130 231 N CB -0.439 38.065 38.487 0.028 0.000 1.487 231 N HN 0.669 nan 8.380 nan 0.000 0.490 232 D N -0.227 120.184 120.400 0.017 0.000 2.397 232 D HA -0.215 4.425 4.640 -0.000 0.000 0.219 232 D C 0.331 176.665 176.300 0.058 0.000 0.975 232 D CA 1.181 55.200 54.000 0.032 0.000 0.940 232 D CB 0.269 41.082 40.800 0.021 0.000 0.884 232 D HN 0.323 nan 8.370 nan 0.000 0.505 233 D N 0.067 120.508 120.400 0.069 0.000 2.355 233 D HA -0.038 4.602 4.640 -0.000 0.000 0.233 233 D C 1.771 178.139 176.300 0.114 0.000 0.997 233 D CA 0.598 54.644 54.000 0.076 0.000 0.920 233 D CB -0.085 40.754 40.800 0.066 0.000 1.063 233 D HN 0.147 nan 8.370 nan 0.000 0.465 234 Q N 0.965 120.853 119.800 0.147 0.000 2.365 234 Q HA 0.200 4.540 4.340 -0.000 0.000 0.203 234 Q C 0.761 176.997 176.000 0.392 0.000 0.929 234 Q CA -0.130 55.831 55.803 0.263 0.000 0.948 234 Q CB 0.154 29.038 28.738 0.243 0.000 1.043 234 Q HN 0.079 nan 8.270 nan 0.000 0.505 235 G N 0.321 109.242 108.800 0.203 0.000 2.474 235 G HA2 0.168 4.128 3.960 -0.000 0.000 0.233 235 G HA3 0.168 4.128 3.960 -0.000 0.000 0.233 235 G C 1.121 176.063 174.900 0.069 0.000 1.278 235 G CA -0.368 44.776 45.100 0.073 0.000 0.861 235 G HN 0.100 nan 8.290 nan 0.000 0.567 236 V N 2.564 122.306 119.914 -0.287 0.000 2.323 236 V HA 0.048 4.168 4.120 -0.000 0.000 0.244 236 V C 1.267 177.253 176.094 -0.180 0.000 1.041 236 V CA 1.244 63.195 62.300 -0.582 0.000 1.025 236 V CB -0.678 30.679 31.823 -0.776 0.000 0.656 236 V HN 0.435 nan 8.190 nan 0.000 0.451 237 L N -0.061 121.096 121.223 -0.110 0.000 2.354 237 L HA 0.559 4.899 4.340 -0.000 0.000 0.269 237 L C -0.974 175.946 176.870 0.085 0.000 1.005 237 L CA -0.702 54.153 54.840 0.024 0.000 0.819 237 L CB 2.251 44.390 42.059 0.135 0.000 1.311 237 L HN 0.110 nan 8.230 nan 0.000 0.423 238 L N 1.895 123.206 121.223 0.146 0.000 2.280 238 L HA 0.650 4.990 4.340 -0.000 0.000 0.287 238 L C 0.305 177.360 176.870 0.308 0.000 1.023 238 L CA 0.091 55.050 54.840 0.198 0.000 0.819 238 L CB 1.131 43.294 42.059 0.174 0.000 1.212 238 L HN 0.550 nan 8.230 nan 0.000 0.420 239 G N 4.437 113.428 108.800 0.318 0.000 2.527 239 G HA2 0.483 4.443 3.960 -0.000 0.000 0.248 239 G HA3 0.483 4.443 3.960 -0.000 0.000 0.248 239 G C -0.843 174.085 174.900 0.048 0.000 1.231 239 G CA -0.484 44.688 45.100 0.121 0.000 0.838 239 G HN 0.783 nan 8.290 nan 0.000 0.570 240 R N 0.753 121.019 120.500 -0.390 0.000 2.561 240 R HA 0.252 4.591 4.340 -0.000 0.000 0.266 240 R C -0.963 175.247 176.300 -0.151 0.000 1.091 240 R CA -0.869 55.178 56.100 -0.089 0.000 0.927 240 R CB 1.323 31.411 30.300 -0.352 0.000 1.240 240 R HN 0.690 nan 8.270 nan 0.000 0.449 241 W N 2.852 124.214 121.300 0.103 0.000 2.499 241 W HA 0.065 4.725 4.660 -0.000 0.000 0.362 241 W C 0.297 176.833 176.519 0.029 0.000 0.945 241 W CA -0.100 57.309 57.345 0.106 0.000 1.721 241 W CB 1.053 30.520 29.460 0.012 0.000 1.156 241 W HN 0.644 nan 8.180 nan 0.000 0.547 242 D N -0.970 119.471 120.400 0.069 0.000 2.325 242 D HA -0.043 4.597 4.640 -0.000 0.000 0.225 242 D C 0.771 176.927 176.300 -0.239 0.000 1.096 242 D CA 0.031 53.984 54.000 -0.078 0.000 0.844 242 D CB -0.338 40.404 40.800 -0.096 0.000 0.925 242 D HN -0.062 nan 8.370 nan 0.000 0.513 243 N N -0.445 118.018 118.700 -0.395 0.000 2.828 243 N HA -0.246 4.494 4.740 -0.000 0.000 0.248 243 N C -1.120 173.957 175.510 -0.722 0.000 1.044 243 N CA 0.837 53.630 53.050 -0.427 0.000 0.851 243 N CB -1.975 36.468 38.487 -0.074 0.000 1.136 243 N HN 0.457 nan 8.380 nan 0.000 0.572 244 N N 0.058 118.132 118.700 -1.044 0.000 2.898 244 N HA 0.311 5.051 4.740 -0.000 0.000 0.245 244 N C -0.862 174.218 175.510 -0.717 0.000 1.185 244 N CA -0.357 52.314 53.050 -0.631 0.000 0.879 244 N CB 0.191 38.467 38.487 -0.352 0.000 1.157 244 N HN 0.196 nan 8.380 nan 0.000 0.503 245 Y N -0.152 120.104 120.300 -0.072 0.000 2.720 245 Y HA 0.380 4.930 4.550 -0.000 0.000 0.268 245 Y C 1.861 177.828 175.900 0.113 0.000 1.142 245 Y CA -0.802 57.297 58.100 -0.001 0.000 1.193 245 Y CB 0.399 38.855 38.460 -0.006 0.000 1.176 245 Y HN 0.448 nan 8.280 nan 0.000 0.542 246 G N 0.975 109.851 108.800 0.126 0.000 2.469 246 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.219 246 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.219 246 G C 1.124 176.086 174.900 0.104 0.000 1.150 246 G CA 1.371 46.526 45.100 0.092 0.000 0.763 246 G HN 0.499 nan 8.290 nan 0.000 0.561 247 D N 0.417 120.905 120.400 0.146 0.000 2.519 247 D HA 0.375 5.015 4.640 -0.000 0.000 0.238 247 D C 0.858 177.201 176.300 0.072 0.000 1.192 247 D CA 0.497 54.558 54.000 0.102 0.000 0.835 247 D CB -0.070 40.791 40.800 0.102 0.000 0.975 247 D HN 0.385 nan 8.370 nan 0.000 0.490 248 G N -1.246 107.610 108.800 0.095 0.000 2.428 248 G HA2 0.354 4.314 3.960 -0.000 0.000 0.305 248 G HA3 0.354 4.314 3.960 -0.000 0.000 0.305 248 G C -1.762 173.139 174.900 0.002 0.000 1.260 248 G CA -0.619 44.470 45.100 -0.018 0.000 0.853 248 G HN 0.055 nan 8.290 nan 0.000 0.480 249 V N 1.700 121.563 119.914 -0.086 0.000 2.394 249 V HA 0.547 4.667 4.120 -0.000 0.000 0.282 249 V C 0.964 176.905 176.094 -0.256 0.000 1.031 249 V CA -0.145 61.957 62.300 -0.330 0.000 0.881 249 V CB 1.045 32.321 31.823 -0.912 0.000 0.982 249 V HN 1.162 nan 8.190 nan 0.000 0.451 250 S N 5.563 121.102 115.700 -0.269 0.000 2.572 250 S HA 0.203 4.673 4.470 -0.000 0.000 0.279 250 S C -1.651 172.683 174.600 -0.444 0.000 1.341 250 S CA -0.644 57.329 58.200 -0.378 0.000 1.043 250 S CB 1.005 64.059 63.200 -0.243 0.000 0.887 250 S HN 0.546 nan 8.310 nan 0.000 0.516 251 P HA -0.090 nan 4.420 nan 0.000 0.216 251 P C 1.497 178.919 177.300 0.203 0.000 1.150 251 P CA 1.179 64.193 63.100 -0.143 0.000 0.837 251 P CB 0.024 31.464 31.700 -0.433 0.000 0.786 252 M N -1.416 118.290 119.600 0.176 0.000 2.557 252 M HA -0.001 4.479 4.480 -0.000 0.000 0.259 252 M C 1.680 178.055 176.300 0.125 0.000 1.086 252 M CA 1.275 56.755 55.300 0.299 0.000 1.096 252 M CB -1.241 31.460 32.600 0.169 0.000 1.424 252 M HN -0.099 nan 8.290 nan 0.000 0.488 253 S N -0.977 114.669 115.700 -0.090 0.000 2.414 253 S HA -0.042 4.428 4.470 -0.000 0.000 0.227 253 S C 0.071 174.578 174.600 -0.154 0.000 1.022 253 S CA -0.035 58.050 58.200 -0.190 0.000 0.958 253 S CB -0.109 62.873 63.200 -0.364 0.000 0.797 253 S HN 0.476 nan 8.310 nan 0.000 0.493 254 W N 2.103 123.419 121.300 0.027 0.000 2.314 254 W HA 0.138 4.798 4.660 -0.000 0.000 0.339 254 W C 1.125 177.467 176.519 -0.295 0.000 1.293 254 W CA -0.361 56.923 57.345 -0.102 0.000 1.288 254 W CB 0.050 29.513 29.460 0.004 0.000 1.186 254 W HN 0.198 nan 8.180 nan 0.000 0.566 255 I N 1.096 121.507 120.570 -0.266 0.000 4.050 255 I HA 0.662 4.832 4.170 -0.000 0.000 0.327 255 I C 0.627 176.129 176.117 -1.025 0.000 1.473 255 I CA -0.298 60.703 61.300 -0.499 0.000 1.124 255 I CB -0.064 37.806 38.000 -0.217 0.000 1.129 255 I HN 0.417 nan 8.210 nan 0.000 0.428 256 G N 0.168 108.110 108.800 -1.431 0.000 2.387 256 G HA2 0.250 4.210 3.960 -0.000 0.000 0.294 256 G HA3 0.250 4.210 3.960 -0.000 0.000 0.294 256 G C -0.299 174.219 174.900 -0.636 0.000 1.509 256 G CA -0.094 44.161 45.100 -1.408 0.000 0.806 256 G HN -0.124 nan 8.290 nan 0.000 0.546 257 S N -0.597 115.055 115.700 -0.080 0.000 2.414 257 S HA -0.050 4.420 4.470 -0.000 0.000 0.227 257 S C 2.640 177.231 174.600 -0.015 0.000 1.022 257 S CA 1.120 59.401 58.200 0.135 0.000 0.958 257 S CB -0.045 63.350 63.200 0.324 0.000 0.797 257 S HN 0.540 nan 8.310 nan 0.000 0.493 258 V N 2.529 122.429 119.914 -0.024 0.000 2.231 258 V HA -0.289 3.831 4.120 -0.000 0.000 0.250 258 V C 2.326 178.420 176.094 0.001 0.000 1.058 258 V CA 2.375 64.673 62.300 -0.004 0.000 1.022 258 V CB -0.732 31.086 31.823 -0.008 0.000 0.640 258 V HN 0.425 nan 8.190 nan 0.000 0.445 259 D N -0.713 119.686 120.400 -0.001 0.000 2.218 259 D HA -0.131 4.509 4.640 -0.000 0.000 0.204 259 D C 1.892 178.200 176.300 0.013 0.000 0.976 259 D CA 1.155 55.193 54.000 0.064 0.000 0.853 259 D CB -0.131 40.771 40.800 0.170 0.000 0.939 259 D HN 0.500 nan 8.370 nan 0.000 0.481 260 I N -0.450 120.006 120.570 -0.190 0.000 2.162 260 I HA -0.209 3.961 4.170 -0.000 0.000 0.238 260 I C 2.007 178.071 176.117 -0.089 0.000 1.076 260 I CA 0.272 61.355 61.300 -0.362 0.000 1.353 260 I CB -0.161 37.459 38.000 -0.633 0.000 1.063 260 I HN 0.075 nan 8.210 nan 0.000 0.408 261 L N 0.843 122.038 121.223 -0.047 0.000 2.081 261 L HA -0.214 4.126 4.340 -0.000 0.000 0.212 261 L C 2.600 179.590 176.870 0.200 0.000 1.080 261 L CA 1.806 56.685 54.840 0.064 0.000 0.754 261 L CB -1.205 40.880 42.059 0.043 0.000 0.893 261 L HN 0.204 nan 8.230 nan 0.000 0.433 262 R N -1.065 119.516 120.500 0.135 0.000 2.062 262 R HA -0.069 4.271 4.340 -0.000 0.000 0.229 262 R C 2.267 178.674 176.300 0.179 0.000 1.128 262 R CA 0.949 57.133 56.100 0.141 0.000 0.960 262 R CB -0.230 30.129 30.300 0.099 0.000 0.855 262 R HN 0.298 nan 8.270 nan 0.000 0.432 263 R N -0.618 120.003 120.500 0.201 0.000 2.152 263 R HA -0.190 4.150 4.340 -0.000 0.000 0.232 263 R C 1.796 178.308 176.300 0.353 0.000 1.117 263 R CA 1.386 57.661 56.100 0.291 0.000 0.981 263 R CB -0.224 30.219 30.300 0.239 0.000 0.870 263 R HN 0.348 nan 8.270 nan 0.000 0.451 264 W N 2.015 123.361 121.300 0.076 0.000 2.380 264 W HA -0.153 4.507 4.660 -0.000 0.000 0.317 264 W C 2.183 178.741 176.519 0.066 0.000 1.196 264 W CA 1.271 58.648 57.345 0.054 0.000 1.307 264 W CB -0.211 29.251 29.460 0.003 0.000 1.157 264 W HN -0.153 nan 8.180 nan 0.000 0.483 265 K N 0.314 120.748 120.400 0.057 0.000 2.057 265 K HA -0.181 4.139 4.320 -0.000 0.000 0.207 265 K C 1.450 177.956 176.600 -0.157 0.000 1.049 265 K CA 1.932 58.100 56.287 -0.199 0.000 0.931 265 K CB -0.724 31.765 32.500 -0.019 0.000 0.714 265 K HN 0.287 nan 8.250 nan 0.000 0.440 266 N N -0.392 118.267 118.700 -0.069 0.000 2.609 266 N HA -0.088 4.652 4.740 -0.000 0.000 0.190 266 N C -0.188 175.082 175.510 -0.400 0.000 1.157 266 N CA 0.294 53.230 53.050 -0.189 0.000 0.918 266 N CB 0.064 38.449 38.487 -0.170 0.000 0.978 266 N HN 0.304 nan 8.380 nan 0.000 0.448 267 H N -1.302 117.710 119.070 -0.097 0.000 2.637 267 H HA 0.260 4.816 4.556 -0.000 0.000 0.245 267 H C 0.620 175.859 175.328 -0.149 0.000 1.190 267 H CA -0.041 55.955 56.048 -0.087 0.000 0.934 267 H CB 0.710 30.448 29.762 -0.041 0.000 1.950 267 H HN 0.109 nan 8.280 nan 0.000 0.614 268 G N 0.504 109.213 108.800 -0.151 0.000 2.246 268 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.273 268 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.273 268 G C 0.579 175.282 174.900 -0.328 0.000 1.055 268 G CA 0.073 45.049 45.100 -0.206 0.000 0.851 268 G HN 0.610 nan 8.290 nan 0.000 0.500 269 C N -1.230 117.687 119.300 -0.638 0.000 4.300 269 C HA -0.135 4.325 4.460 -0.000 0.000 0.304 269 C C 0.870 175.629 174.990 -0.384 0.000 1.367 269 C CA 1.323 59.660 59.018 -1.135 0.000 2.032 269 C CB -2.199 24.948 27.740 -0.990 0.000 1.285 269 C HN 0.824 nan 8.230 nan 0.000 0.737 270 Q N -0.582 119.129 119.800 -0.148 0.000 2.282 270 Q HA 0.458 4.798 4.340 -0.000 0.000 0.260 270 Q C 0.358 176.487 176.000 0.214 0.000 0.964 270 Q CA -0.656 55.184 55.803 0.061 0.000 0.880 270 Q CB 1.153 29.908 28.738 0.029 0.000 1.286 270 Q HN 0.521 nan 8.270 nan 0.000 0.445 271 R N 0.660 121.285 120.500 0.207 0.000 2.500 271 R HA -0.020 4.320 4.340 -0.000 0.000 0.281 271 R C -0.466 175.895 176.300 0.102 0.000 0.953 271 R CA 0.077 56.281 56.100 0.173 0.000 1.108 271 R CB -0.024 30.340 30.300 0.107 0.000 0.901 271 R HN 0.294 nan 8.270 nan 0.000 0.410 272 V N 4.108 124.080 119.914 0.097 0.000 2.546 272 V HA 0.101 4.221 4.120 -0.000 0.000 0.284 272 V C 0.250 176.342 176.094 -0.003 0.000 1.050 272 V CA -0.373 61.955 62.300 0.046 0.000 0.981 272 V CB 1.458 33.313 31.823 0.053 0.000 0.990 272 V HN 0.557 nan 8.190 nan 0.000 0.474 273 K N 4.196 124.511 120.400 -0.141 0.000 2.262 273 K HA 0.582 4.902 4.320 -0.000 0.000 0.282 273 K C -1.252 175.293 176.600 -0.091 0.000 1.066 273 K CA 0.130 56.084 56.287 -0.555 0.000 0.901 273 K CB 0.526 32.365 32.500 -1.102 0.000 1.089 273 K HN 0.553 nan 8.250 nan 0.000 0.476 274 Y N -0.323 120.143 120.300 0.277 0.000 2.644 274 Y HA 0.684 5.234 4.550 -0.000 0.000 0.338 274 Y C 0.556 176.532 175.900 0.127 0.000 1.119 274 Y CA -1.065 57.117 58.100 0.136 0.000 1.060 274 Y CB 2.489 40.964 38.460 0.025 0.000 1.294 274 Y HN 0.594 nan 8.280 nan 0.000 0.472 275 G N 0.099 108.955 108.800 0.093 0.000 2.658 275 G HA2 0.724 4.684 3.960 -0.000 0.000 0.292 275 G HA3 0.724 4.684 3.960 -0.000 0.000 0.292 275 G C -1.727 172.660 174.900 -0.855 0.000 1.320 275 G CA -0.660 44.268 45.100 -0.287 0.000 0.933 275 G HN 0.467 nan 8.290 nan 0.000 0.476 276 Q N -1.653 117.325 119.800 -1.371 0.000 2.882 276 Q HA 0.279 4.619 4.340 -0.000 0.000 0.315 276 Q C 1.712 176.862 176.000 -1.417 0.000 1.004 276 Q CA -0.447 54.568 55.803 -1.313 0.000 0.777 276 Q CB 1.932 30.082 28.738 -0.981 0.000 1.506 276 Q HN 0.824 nan 8.270 nan 0.000 0.489 277 C N -0.505 118.627 119.300 -0.281 0.000 2.393 277 C HA -0.147 4.313 4.460 -0.000 0.000 0.276 277 C C 2.191 177.118 174.990 -0.105 0.000 1.215 277 C CA 1.498 60.562 59.018 0.077 0.000 1.743 277 C CB -1.675 26.520 27.740 0.757 0.000 2.044 277 C HN 1.004 nan 8.230 nan 0.000 0.464 278 W N 2.181 123.447 121.300 -0.056 0.000 2.374 278 W HA 0.069 4.729 4.660 -0.000 0.000 0.288 278 W C 1.819 178.148 176.519 -0.317 0.000 1.218 278 W CA 1.402 58.645 57.345 -0.170 0.000 1.245 278 W CB -1.174 28.176 29.460 -0.183 0.000 1.126 278 W HN 0.216 nan 8.180 nan 0.000 0.545 279 V N 1.358 120.565 119.914 -1.177 0.000 2.307 279 V HA -0.299 3.821 4.120 -0.000 0.000 0.245 279 V C 2.356 178.241 176.094 -0.347 0.000 1.045 279 V CA 1.861 63.709 62.300 -0.754 0.000 1.024 279 V CB -1.208 30.168 31.823 -0.744 0.000 0.651 279 V HN 0.079 nan 8.190 nan 0.000 0.449 280 F N 1.336 121.131 119.950 -0.258 0.000 2.069 280 F HA -0.168 4.359 4.527 -0.000 0.000 0.298 280 F C 2.552 178.289 175.800 -0.106 0.000 1.113 280 F CA 1.169 59.087 58.000 -0.136 0.000 1.214 280 F CB -1.706 37.276 39.000 -0.031 0.000 0.978 280 F HN 0.128 nan 8.300 nan 0.000 0.474 281 A N 0.024 122.901 122.820 0.096 0.000 1.902 281 A HA -0.032 4.288 4.320 -0.000 0.000 0.217 281 A C 2.475 180.038 177.584 -0.035 0.000 1.181 281 A CA 1.988 54.049 52.037 0.041 0.000 0.623 281 A CB -1.305 17.716 19.000 0.034 0.000 0.818 281 A HN 0.317 nan 8.150 nan 0.000 0.443 282 A N -0.197 122.527 122.820 -0.161 0.000 1.877 282 A HA -0.038 4.282 4.320 -0.000 0.000 0.216 282 A C 2.403 180.023 177.584 0.060 0.000 1.186 282 A CA 2.253 54.164 52.037 -0.210 0.000 0.620 282 A CB -1.252 17.130 19.000 -1.029 0.000 0.822 282 A HN 1.248 nan 8.150 nan 0.000 0.443 283 V N -1.779 118.159 119.914 0.040 0.000 2.548 283 V HA 0.024 4.144 4.120 -0.000 0.000 0.249 283 V C 2.425 178.531 176.094 0.020 0.000 1.055 283 V CA 1.944 64.288 62.300 0.073 0.000 1.065 283 V CB -1.010 30.804 31.823 -0.015 0.000 0.681 283 V HN 0.559 nan 8.190 nan 0.000 0.462 284 A N -0.420 122.398 122.820 -0.002 0.000 1.902 284 A HA -0.254 4.066 4.320 -0.000 0.000 0.217 284 A C 2.504 180.072 177.584 -0.027 0.000 1.181 284 A CA 2.082 54.105 52.037 -0.022 0.000 0.623 284 A CB -1.458 17.538 19.000 -0.007 0.000 0.818 284 A HN 0.769 nan 8.150 nan 0.000 0.443 285 C N -1.210 118.068 119.300 -0.037 0.000 2.429 285 C HA -0.080 4.380 4.460 -0.000 0.000 0.277 285 C C 2.937 177.841 174.990 -0.144 0.000 1.262 285 C CA 1.963 60.899 59.018 -0.137 0.000 1.733 285 C CB -1.519 26.052 27.740 -0.281 0.000 2.010 285 C HN 0.604 nan 8.230 nan 0.000 0.483 286 T N 0.504 115.060 114.554 0.004 0.000 2.652 286 T HA -0.167 4.183 4.350 -0.000 0.000 0.267 286 T C 1.790 176.493 174.700 0.004 0.000 1.039 286 T CA 2.140 64.272 62.100 0.053 0.000 1.153 286 T CB -0.403 68.584 68.868 0.198 0.000 0.863 286 T HN 0.436 nan 8.240 nan 0.000 0.428 287 V N 1.587 121.506 119.914 0.009 0.000 2.255 287 V HA -0.167 3.953 4.120 -0.000 0.000 0.247 287 V C 2.527 178.640 176.094 0.031 0.000 1.051 287 V CA 1.704 64.012 62.300 0.014 0.000 1.018 287 V CB -0.750 31.062 31.823 -0.018 0.000 0.641 287 V HN 0.445 nan 8.190 nan 0.000 0.445 288 L N -0.800 120.424 121.223 0.003 0.000 2.127 288 L HA -0.189 4.151 4.340 -0.000 0.000 0.211 288 L C 2.759 179.649 176.870 0.034 0.000 1.089 288 L CA 1.578 56.425 54.840 0.011 0.000 0.757 288 L CB -0.587 41.458 42.059 -0.023 0.000 0.899 288 L HN 0.248 nan 8.230 nan 0.000 0.434 289 R N -1.114 119.383 120.500 -0.005 0.000 2.073 289 R HA -0.144 4.196 4.340 -0.000 0.000 0.229 289 R C 2.504 178.867 176.300 0.105 0.000 1.120 289 R CA 1.479 57.581 56.100 0.004 0.000 0.967 289 R CB -0.730 29.489 30.300 -0.135 0.000 0.862 289 R HN 0.429 nan 8.270 nan 0.000 0.436 290 C N 0.956 120.308 119.300 0.087 0.000 2.413 290 C HA -0.102 4.358 4.460 -0.000 0.000 0.277 290 C C 2.265 177.436 174.990 0.302 0.000 1.228 290 C CA 0.695 59.846 59.018 0.220 0.000 1.731 290 C CB -0.881 26.955 27.740 0.160 0.000 2.042 290 C HN 0.356 nan 8.230 nan 0.000 0.468 291 L N 1.137 122.507 121.223 0.246 0.000 2.549 291 L HA 0.180 4.520 4.340 -0.000 0.000 0.229 291 L C 2.143 179.271 176.870 0.430 0.000 1.158 291 L CA 1.905 56.938 54.840 0.320 0.000 0.842 291 L CB -1.344 40.904 42.059 0.315 0.000 0.952 291 L HN 0.711 nan 8.230 nan 0.000 0.452 292 G N -1.038 107.972 108.800 0.349 0.000 2.175 292 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.244 292 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.244 292 G C 0.491 175.523 174.900 0.220 0.000 0.982 292 G CA 0.003 45.326 45.100 0.370 0.000 0.641 292 G HN 0.289 nan 8.290 nan 0.000 0.527 293 I N 2.260 122.865 120.570 0.057 0.000 2.337 293 I HA 0.240 4.410 4.170 -0.000 0.000 0.291 293 I C -2.004 174.116 176.117 0.006 0.000 1.046 293 I CA -2.122 59.116 61.300 -0.103 0.000 1.324 293 I CB 1.244 39.087 38.000 -0.261 0.000 1.409 293 I HN -0.147 nan 8.210 nan 0.000 0.494 294 P HA 0.042 nan 4.420 nan 0.000 0.262 294 P C -0.864 176.528 177.300 0.152 0.000 1.199 294 P CA 0.475 63.626 63.100 0.085 0.000 0.763 294 P CB 0.453 32.156 31.700 0.006 0.000 0.790 295 T N 3.886 118.522 114.554 0.135 0.000 2.916 295 T HA 0.645 4.995 4.350 -0.000 0.000 0.305 295 T C -0.632 174.048 174.700 -0.033 0.000 1.119 295 T CA -0.973 61.179 62.100 0.087 0.000 1.008 295 T CB 1.703 70.566 68.868 -0.009 0.000 1.129 295 T HN 0.390 nan 8.240 nan 0.000 0.480 296 R N -0.072 120.339 120.500 -0.148 0.000 2.651 296 R HA 0.797 5.137 4.340 -0.000 0.000 0.278 296 R C -1.217 174.960 176.300 -0.205 0.000 1.010 296 R CA -0.975 55.005 56.100 -0.200 0.000 0.896 296 R CB 1.503 31.619 30.300 -0.306 0.000 1.211 296 R HN 0.473 nan 8.270 nan 0.000 0.456 297 V N 2.720 122.550 119.914 -0.140 0.000 2.546 297 V HA 0.507 4.627 4.120 -0.000 0.000 0.284 297 V C -0.671 175.309 176.094 -0.189 0.000 1.050 297 V CA -0.200 62.019 62.300 -0.134 0.000 0.981 297 V CB 1.456 33.239 31.823 -0.066 0.000 0.990 297 V HN 0.619 nan 8.190 nan 0.000 0.474 298 V N 5.311 125.021 119.914 -0.340 0.000 2.715 298 V HA 0.645 4.765 4.120 -0.000 0.000 0.310 298 V C 0.196 175.910 176.094 -0.632 0.000 1.054 298 V CA -0.308 61.693 62.300 -0.497 0.000 0.928 298 V CB 2.601 34.009 31.823 -0.692 0.000 1.007 298 V HN 1.077 nan 8.190 nan 0.000 0.437 299 T N 3.302 117.523 114.554 -0.556 0.000 2.876 299 T HA 0.453 4.803 4.350 -0.000 0.000 0.289 299 T C -0.815 173.496 174.700 -0.647 0.000 1.014 299 T CA -0.586 61.168 62.100 -0.577 0.000 0.986 299 T CB 1.428 70.002 68.868 -0.488 0.000 1.021 299 T HN 0.651 nan 8.240 nan 0.000 0.458 300 N N 1.236 119.568 118.700 -0.614 0.000 2.296 300 N HA 0.423 5.163 4.740 -0.000 0.000 0.294 300 N C -1.793 173.590 175.510 -0.212 0.000 1.033 300 N CA -0.588 52.236 53.050 -0.376 0.000 0.839 300 N CB 0.762 39.069 38.487 -0.300 0.000 1.395 300 N HN 0.477 nan 8.380 nan 0.000 0.479 301 Y N 1.825 122.164 120.300 0.065 0.000 2.352 301 Y HA 0.336 4.886 4.550 -0.000 0.000 0.326 301 Y C 0.535 176.535 175.900 0.167 0.000 1.166 301 Y CA -0.540 57.660 58.100 0.166 0.000 1.182 301 Y CB 0.940 39.465 38.460 0.109 0.000 1.216 301 Y HN 0.552 nan 8.280 nan 0.000 0.474 302 N N 0.739 119.648 118.700 0.349 0.000 2.681 302 N HA -0.213 4.527 4.740 -0.000 0.000 0.259 302 N C -0.893 174.753 175.510 0.225 0.000 1.066 302 N CA 0.544 53.749 53.050 0.259 0.000 0.717 302 N CB -1.013 37.598 38.487 0.206 0.000 0.885 302 N HN 0.442 nan 8.380 nan 0.000 0.547 303 S N -0.274 115.584 115.700 0.263 0.000 2.452 303 S HA 0.645 5.115 4.470 -0.000 0.000 0.284 303 S C 0.488 175.181 174.600 0.154 0.000 1.171 303 S CA -0.252 58.084 58.200 0.226 0.000 1.064 303 S CB 0.698 64.088 63.200 0.317 0.000 0.967 303 S HN 0.432 nan 8.310 nan 0.000 0.484 304 A N 4.614 127.489 122.820 0.091 0.000 3.056 304 A HA 0.305 4.625 4.320 -0.000 0.000 0.274 304 A C -0.059 177.499 177.584 -0.043 0.000 1.661 304 A CA -0.188 51.873 52.037 0.040 0.000 1.363 304 A CB -0.714 18.296 19.000 0.016 0.000 1.139 304 A HN 0.939 nan 8.150 nan 0.000 0.598 305 H N 0.444 119.310 119.070 -0.340 0.000 2.488 305 H HA 0.356 4.912 4.556 -0.000 0.000 0.347 305 H C 0.478 175.534 175.328 -0.453 0.000 1.174 305 H CA 0.268 55.970 56.048 -0.576 0.000 1.307 305 H CB 0.770 29.705 29.762 -1.378 0.000 1.517 305 H HN 0.576 nan 8.280 nan 0.000 0.554 306 D N 0.934 120.801 120.400 -0.889 0.000 3.039 306 D HA -0.192 4.448 4.640 -0.000 0.000 0.222 306 D C -0.659 175.529 176.300 -0.187 0.000 1.179 306 D CA 0.783 54.480 54.000 -0.505 0.000 0.880 306 D CB -0.343 40.240 40.800 -0.361 0.000 1.115 306 D HN 0.566 nan 8.370 nan 0.000 0.416 307 Q N 0.104 119.822 119.800 -0.138 0.000 2.222 307 Q HA 0.228 4.568 4.340 -0.000 0.000 0.252 307 Q C 0.732 176.694 176.000 -0.063 0.000 0.926 307 Q CA -0.445 55.315 55.803 -0.071 0.000 0.899 307 Q CB 0.674 29.371 28.738 -0.068 0.000 1.250 307 Q HN 0.058 nan 8.270 nan 0.000 0.441 308 N N 1.562 120.232 118.700 -0.049 0.000 3.167 308 N HA -0.082 4.658 4.740 -0.000 0.000 0.318 308 N C -0.115 175.241 175.510 -0.256 0.000 1.268 308 N CA 0.592 53.624 53.050 -0.030 0.000 1.197 308 N CB -0.240 38.246 38.487 -0.002 0.000 1.464 308 N HN 0.746 nan 8.380 nan 0.000 0.555 309 S N -0.516 114.957 115.700 -0.379 0.000 3.380 309 S HA -0.277 4.193 4.470 -0.000 0.000 0.300 309 S C 0.097 174.510 174.600 -0.312 0.000 1.255 309 S CA 0.855 58.712 58.200 -0.571 0.000 0.963 309 S CB -2.369 60.103 63.200 -1.212 0.000 1.106 309 S HN 0.663 nan 8.310 nan 0.000 0.629 310 N N 1.183 119.760 118.700 -0.204 0.000 2.483 310 N HA 0.367 5.107 4.740 -0.000 0.000 0.264 310 N C 0.870 176.304 175.510 -0.127 0.000 1.197 310 N CA 0.151 53.117 53.050 -0.139 0.000 0.927 310 N CB 0.256 38.685 38.487 -0.096 0.000 1.065 310 N HN 0.517 nan 8.380 nan 0.000 0.461 311 L N 2.836 123.992 121.223 -0.111 0.000 2.607 311 L HA 0.259 4.599 4.340 -0.000 0.000 0.228 311 L C 0.120 176.983 176.870 -0.012 0.000 1.123 311 L CA 0.044 54.812 54.840 -0.119 0.000 0.890 311 L CB 0.055 41.986 42.059 -0.214 0.000 1.103 311 L HN 0.448 nan 8.230 nan 0.000 0.468 312 L N 1.580 122.792 121.223 -0.017 0.000 2.485 312 L HA 0.482 4.822 4.340 -0.000 0.000 0.260 312 L C -0.992 175.852 176.870 -0.043 0.000 0.998 312 L CA -0.196 54.644 54.840 -0.000 0.000 0.883 312 L CB 1.447 43.523 42.059 0.029 0.000 1.196 312 L HN -0.012 nan 8.230 nan 0.000 0.443 313 I N 3.776 124.294 120.570 -0.087 0.000 2.336 313 I HA 0.329 4.499 4.170 -0.000 0.000 0.292 313 I C 0.035 175.966 176.117 -0.309 0.000 0.991 313 I CA -0.306 60.874 61.300 -0.199 0.000 1.227 313 I CB 1.676 39.551 38.000 -0.208 0.000 1.366 313 I HN 0.494 nan 8.210 nan 0.000 0.466 314 E N 5.743 125.739 120.200 -0.340 0.000 2.199 314 E HA 0.521 4.871 4.350 -0.000 0.000 0.269 314 E C -1.628 174.681 176.600 -0.485 0.000 0.899 314 E CA -0.743 55.479 56.400 -0.297 0.000 0.772 314 E CB 2.311 32.034 29.700 0.040 0.000 1.155 314 E HN 0.393 nan 8.360 nan 0.000 0.408 315 Y N 0.865 121.087 120.300 -0.131 0.000 2.485 315 Y HA 0.474 5.024 4.550 -0.000 0.000 0.345 315 Y C -0.682 175.020 175.900 -0.329 0.000 0.998 315 Y CA -1.089 56.962 58.100 -0.082 0.000 1.059 315 Y CB 1.444 39.896 38.460 -0.013 0.000 1.234 315 Y HN 0.411 nan 8.280 nan 0.000 0.461 316 F N 1.981 122.121 119.950 0.317 0.000 2.427 316 F HA 0.628 5.155 4.527 -0.000 0.000 0.348 316 F C -0.115 175.782 175.800 0.161 0.000 1.125 316 F CA -0.938 57.194 58.000 0.220 0.000 0.989 316 F CB 1.417 40.483 39.000 0.109 0.000 1.165 316 F HN 0.263 nan 8.300 nan 0.000 0.442 317 R N 1.562 122.200 120.500 0.230 0.000 2.787 317 R HA 0.460 4.800 4.340 -0.000 0.000 0.271 317 R C -0.172 176.213 176.300 0.141 0.000 0.993 317 R CA -1.140 55.055 56.100 0.157 0.000 0.993 317 R CB 1.361 31.724 30.300 0.105 0.000 1.155 317 R HN 0.683 nan 8.270 nan 0.000 0.486 318 N N 0.482 119.264 118.700 0.136 0.000 2.443 318 N HA -0.083 4.657 4.740 -0.000 0.000 0.294 318 N C 0.637 176.224 175.510 0.128 0.000 1.289 318 N CA -0.376 52.756 53.050 0.136 0.000 0.966 318 N CB 0.132 38.715 38.487 0.160 0.000 1.122 318 N HN 0.631 nan 8.380 nan 0.000 0.569 319 E N -0.828 119.446 120.200 0.123 0.000 2.472 319 E HA -0.118 4.232 4.350 -0.000 0.000 0.200 319 E C 0.172 176.721 176.600 -0.085 0.000 1.046 319 E CA 0.837 57.248 56.400 0.018 0.000 0.871 319 E CB -0.559 29.104 29.700 -0.062 0.000 0.806 319 E HN 0.598 nan 8.360 nan 0.000 0.533 320 F N 0.117 120.061 119.950 -0.011 0.000 2.678 320 F HA 0.392 4.919 4.527 -0.000 0.000 0.305 320 F C 1.712 177.531 175.800 0.032 0.000 1.090 320 F CA 0.395 58.375 58.000 -0.033 0.000 1.272 320 F CB 1.007 39.953 39.000 -0.091 0.000 1.060 320 F HN 0.215 nan 8.300 nan 0.000 0.576 321 G N 0.609 109.530 108.800 0.202 0.000 2.175 321 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.244 321 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.244 321 G C 0.195 175.168 174.900 0.121 0.000 0.982 321 G CA -0.011 45.175 45.100 0.143 0.000 0.641 321 G HN 0.373 nan 8.290 nan 0.000 0.527 322 E N 0.643 120.927 120.200 0.140 0.000 2.324 322 E HA 0.432 4.782 4.350 -0.000 0.000 0.271 322 E C 0.872 177.518 176.600 0.078 0.000 1.028 322 E CA -0.677 55.775 56.400 0.086 0.000 0.890 322 E CB 0.184 29.923 29.700 0.065 0.000 1.004 322 E HN 0.364 nan 8.360 nan 0.000 0.431 323 I N 4.636 125.232 120.570 0.043 0.000 2.668 323 I HA -0.085 4.085 4.170 -0.000 0.000 0.285 323 I C 0.438 176.609 176.117 0.089 0.000 1.168 323 I CA 0.087 61.425 61.300 0.064 0.000 1.424 323 I CB 0.649 38.633 38.000 -0.027 0.000 1.377 323 I HN 0.442 nan 8.210 nan 0.000 0.560 324 Q N 6.180 126.067 119.800 0.145 0.000 2.369 324 Q HA 0.207 4.547 4.340 -0.000 0.000 0.247 324 Q C 0.451 176.519 176.000 0.114 0.000 1.083 324 Q CA -0.185 55.690 55.803 0.120 0.000 0.905 324 Q CB 0.882 29.698 28.738 0.131 0.000 1.305 324 Q HN 0.801 nan 8.270 nan 0.000 0.465 325 G N 3.341 112.185 108.800 0.073 0.000 2.707 325 G HA2 0.122 4.082 3.960 -0.000 0.000 0.231 325 G HA3 0.122 4.082 3.960 -0.000 0.000 0.231 325 G C 0.304 175.239 174.900 0.059 0.000 1.246 325 G CA 0.562 45.698 45.100 0.059 0.000 0.852 325 G HN 0.801 nan 8.290 nan 0.000 0.584 326 D N -0.751 119.682 120.400 0.054 0.000 5.300 326 D HA -0.083 4.557 4.640 -0.000 0.000 0.374 326 D C 0.618 176.944 176.300 0.044 0.000 1.838 326 D CA -0.454 53.572 54.000 0.043 0.000 1.058 326 D CB -0.592 40.236 40.800 0.047 0.000 1.481 326 D HN 0.329 nan 8.370 nan 0.000 0.678 327 K N 0.285 120.713 120.400 0.046 0.000 2.393 327 K HA 0.364 4.684 4.320 -0.000 0.000 0.193 327 K C 0.531 177.170 176.600 0.066 0.000 1.026 327 K CA 0.080 56.391 56.287 0.041 0.000 1.064 327 K CB 0.280 32.795 32.500 0.024 0.000 0.833 327 K HN 0.209 nan 8.250 nan 0.000 0.521 328 S N 1.673 117.439 115.700 0.109 0.000 2.533 328 S HA 0.024 4.494 4.470 -0.000 0.000 0.282 328 S C -0.155 174.560 174.600 0.190 0.000 1.304 328 S CA -0.351 57.950 58.200 0.168 0.000 1.063 328 S CB 0.441 63.809 63.200 0.279 0.000 0.881 328 S HN 0.201 nan 8.310 nan 0.000 0.493 329 E N 3.618 123.932 120.200 0.189 0.000 2.249 329 E HA 0.257 4.607 4.350 -0.000 0.000 0.280 329 E C -0.246 176.529 176.600 0.293 0.000 1.016 329 E CA -0.501 56.012 56.400 0.188 0.000 0.830 329 E CB 0.454 30.241 29.700 0.144 0.000 1.081 329 E HN 0.392 nan 8.360 nan 0.000 0.395 330 M N 3.333 123.052 119.600 0.199 0.000 2.247 330 M HA 0.234 4.714 4.480 -0.000 0.000 0.326 330 M C 0.098 176.562 176.300 0.274 0.000 1.134 330 M CA -0.700 54.684 55.300 0.140 0.000 1.136 330 M CB 0.367 32.955 32.600 -0.020 0.000 1.454 330 M HN 0.509 nan 8.290 nan 0.000 0.467 331 I N 1.446 122.160 120.570 0.239 0.000 2.588 331 I HA -0.046 4.124 4.170 -0.000 0.000 0.283 331 I C -0.293 176.036 176.117 0.354 0.000 1.119 331 I CA -0.258 61.219 61.300 0.296 0.000 1.419 331 I CB 0.016 38.148 38.000 0.221 0.000 1.394 331 I HN 0.530 nan 8.210 nan 0.000 0.562 332 W N 5.714 127.035 121.300 0.035 0.000 2.238 332 W HA 0.204 4.864 4.660 -0.000 0.000 0.321 332 W C 1.472 178.022 176.519 0.052 0.000 1.293 332 W CA -0.452 56.876 57.345 -0.028 0.000 1.204 332 W CB -0.357 29.064 29.460 -0.064 0.000 1.167 332 W HN 0.477 nan 8.180 nan 0.000 0.553 333 N N 1.647 120.455 118.700 0.180 0.000 2.149 333 N HA -0.116 4.624 4.740 -0.000 0.000 0.188 333 N C -0.255 175.537 175.510 0.471 0.000 1.019 333 N CA 1.623 54.839 53.050 0.277 0.000 0.857 333 N CB -0.243 38.383 38.487 0.232 0.000 0.997 333 N HN 0.315 nan 8.380 nan 0.000 0.426 334 F N -3.230 116.952 119.950 0.386 0.000 2.703 334 F HA 0.556 5.083 4.527 -0.000 0.000 0.308 334 F C -1.272 174.843 175.800 0.525 0.000 1.126 334 F CA -1.386 56.746 58.000 0.220 0.000 0.959 334 F CB 0.918 39.816 39.000 -0.170 0.000 1.297 334 F HN -0.146 nan 8.300 nan 0.000 0.441 335 H N 1.231 120.582 119.070 0.469 0.000 2.894 335 H HA 0.786 5.342 4.556 -0.000 0.000 0.367 335 H C -1.754 173.745 175.328 0.286 0.000 1.144 335 H CA -1.266 55.053 56.048 0.451 0.000 1.180 335 H CB 1.962 31.823 29.762 0.164 0.000 1.758 335 H HN 1.107 nan 8.280 nan 0.000 0.541 336 C N 4.323 123.560 119.300 -0.105 0.000 2.493 336 C HA 0.762 5.222 4.460 -0.000 0.000 0.326 336 C C -0.956 173.924 174.990 -0.183 0.000 1.200 336 C CA -0.449 58.435 59.018 -0.223 0.000 1.739 336 C CB -0.445 27.330 27.740 0.058 0.000 2.300 336 C HN 0.903 nan 8.230 nan 0.000 0.500 337 W N 1.118 122.263 121.300 -0.259 0.000 2.940 337 W HA 0.771 5.431 4.660 -0.000 0.000 0.394 337 W C -1.064 175.394 176.519 -0.102 0.000 1.155 337 W CA -0.933 56.316 57.345 -0.159 0.000 1.165 337 W CB -0.206 29.155 29.460 -0.164 0.000 1.492 337 W HN 0.650 nan 8.180 nan 0.000 0.593 338 V N -1.440 118.634 119.914 0.267 0.000 3.103 338 V HA 0.790 4.910 4.120 -0.000 0.000 0.318 338 V C -0.946 175.257 176.094 0.183 0.000 1.114 338 V CA -1.171 61.186 62.300 0.094 0.000 1.020 338 V CB 1.875 33.720 31.823 0.037 0.000 1.085 338 V HN 0.742 nan 8.190 nan 0.000 0.446 339 E N 0.746 120.973 120.200 0.045 0.000 2.256 339 E HA 0.648 4.998 4.350 -0.000 0.000 0.268 339 E C -1.330 175.421 176.600 0.251 0.000 0.877 339 E CA -0.528 55.942 56.400 0.117 0.000 0.757 339 E CB 2.325 31.930 29.700 -0.158 0.000 1.183 339 E HN 0.811 nan 8.360 nan 0.000 0.418 340 S N 2.126 118.045 115.700 0.365 0.000 2.500 340 S HA 0.336 4.806 4.470 -0.000 0.000 0.301 340 S C -1.392 173.384 174.600 0.293 0.000 1.092 340 S CA -0.810 57.584 58.200 0.323 0.000 1.030 340 S CB 1.135 64.396 63.200 0.101 0.000 1.031 340 S HN 0.455 nan 8.310 nan 0.000 0.483 341 W N 6.867 128.057 121.300 -0.182 0.000 2.331 341 W HA 0.583 5.243 4.660 -0.000 0.000 0.306 341 W C -0.815 175.511 176.519 -0.322 0.000 1.162 341 W CA -0.546 56.462 57.345 -0.563 0.000 1.232 341 W CB 0.487 29.320 29.460 -1.046 0.000 1.235 341 W HN 0.780 nan 8.180 nan 0.000 0.479 342 M N 3.834 123.001 119.600 -0.722 0.000 3.012 342 M HA 0.326 4.806 4.480 -0.000 0.000 0.272 342 M C -1.377 174.631 176.300 -0.486 0.000 1.187 342 M CA -0.733 54.285 55.300 -0.470 0.000 0.813 342 M CB 1.939 34.395 32.600 -0.239 0.000 1.626 342 M HN 0.103 nan 8.290 nan 0.000 0.507 343 T N 0.275 114.667 114.554 -0.271 0.000 2.934 343 T HA 0.603 4.953 4.350 -0.000 0.000 0.283 343 T C -0.581 174.055 174.700 -0.106 0.000 1.005 343 T CA -0.539 61.442 62.100 -0.198 0.000 1.041 343 T CB 0.731 69.533 68.868 -0.111 0.000 1.042 343 T HN 0.629 nan 8.240 nan 0.000 0.505 344 R N 3.984 124.445 120.500 -0.066 0.000 2.587 344 R HA 0.260 4.600 4.340 -0.000 0.000 0.283 344 R C -1.856 174.450 176.300 0.011 0.000 1.472 344 R CA -2.164 53.930 56.100 -0.009 0.000 1.578 344 R CB 0.983 31.295 30.300 0.019 0.000 1.130 344 R HN 0.592 nan 8.270 nan 0.000 0.602 345 P HA -0.124 nan 4.420 nan 0.000 0.223 345 P C 0.378 177.690 177.300 0.020 0.000 1.151 345 P CA 0.917 64.026 63.100 0.015 0.000 0.787 345 P CB 0.332 32.045 31.700 0.022 0.000 0.788 346 D N -0.516 119.901 120.400 0.029 0.000 2.352 346 D HA 0.016 4.656 4.640 -0.000 0.000 0.232 346 D C 0.659 176.960 176.300 0.001 0.000 1.055 346 D CA 0.237 54.249 54.000 0.021 0.000 0.891 346 D CB -0.310 40.515 40.800 0.041 0.000 0.897 346 D HN 0.233 nan 8.370 nan 0.000 0.529 347 L N -0.953 120.281 121.223 0.019 0.000 2.301 347 L HA 0.260 4.600 4.340 -0.000 0.000 0.249 347 L C 0.138 177.025 176.870 0.029 0.000 1.069 347 L CA -1.389 53.475 54.840 0.040 0.000 0.865 347 L CB 1.170 43.297 42.059 0.113 0.000 1.467 347 L HN -0.279 nan 8.230 nan 0.000 0.419 348 Q N 2.036 121.852 119.800 0.027 0.000 2.369 348 Q HA 0.135 4.475 4.340 -0.000 0.000 0.295 348 Q C -2.246 173.690 176.000 -0.107 0.000 1.075 348 Q CA -1.139 54.630 55.803 -0.056 0.000 0.941 348 Q CB -0.305 28.367 28.738 -0.110 0.000 1.260 348 Q HN 0.235 nan 8.270 nan 0.000 0.417 349 P HA 0.021 nan 4.420 nan 0.000 0.269 349 P C 0.470 177.652 177.300 -0.197 0.000 1.215 349 P CA 0.597 63.631 63.100 -0.111 0.000 0.780 349 P CB 0.487 32.138 31.700 -0.081 0.000 0.898 350 G N 0.872 109.581 108.800 -0.151 0.000 2.176 350 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.232 350 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.232 350 G C 0.152 174.966 174.900 -0.144 0.000 0.986 350 G CA -0.305 44.690 45.100 -0.176 0.000 0.643 350 G HN 0.456 nan 8.290 nan 0.000 0.522 351 Y N 2.428 122.684 120.300 -0.072 0.000 2.583 351 Y HA 0.294 4.844 4.550 -0.000 0.000 0.294 351 Y C 1.385 177.191 175.900 -0.156 0.000 1.170 351 Y CA -0.584 57.461 58.100 -0.090 0.000 1.265 351 Y CB -0.032 38.387 38.460 -0.068 0.000 1.119 351 Y HN 0.558 nan 8.280 nan 0.000 0.522 352 E N -0.432 119.733 120.200 -0.058 0.000 2.371 352 E HA 0.518 4.868 4.350 -0.000 0.000 0.257 352 E C 0.805 177.128 176.600 -0.463 0.000 1.134 352 E CA 0.478 56.719 56.400 -0.266 0.000 0.919 352 E CB 1.709 31.250 29.700 -0.265 0.000 1.025 352 E HN 0.297 nan 8.360 nan 0.000 0.438 353 G N 0.569 108.771 108.800 -0.997 0.000 2.301 353 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.194 353 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.194 353 G C -1.555 172.727 174.900 -1.030 0.000 1.266 353 G CA -0.529 43.630 45.100 -1.569 0.000 1.210 353 G HN 0.528 nan 8.290 nan 0.000 0.524 354 W N 1.979 123.154 121.300 -0.208 0.000 2.238 354 W HA 0.599 5.259 4.660 -0.000 0.000 0.321 354 W C 0.316 176.775 176.519 -0.100 0.000 1.293 354 W CA -0.267 57.072 57.345 -0.010 0.000 1.204 354 W CB 0.998 30.505 29.460 0.078 0.000 1.167 354 W HN 0.307 nan 8.180 nan 0.000 0.553 355 Q N 2.718 122.660 119.800 0.236 0.000 2.330 355 Q HA 0.499 4.839 4.340 -0.000 0.000 0.269 355 Q C -0.382 175.719 176.000 0.167 0.000 1.022 355 Q CA -0.805 55.065 55.803 0.111 0.000 0.796 355 Q CB 1.726 30.485 28.738 0.035 0.000 1.271 355 Q HN 0.544 nan 8.270 nan 0.000 0.450 356 A N 3.979 126.887 122.820 0.147 0.000 2.404 356 A HA 0.533 4.853 4.320 -0.000 0.000 0.273 356 A C -0.426 177.204 177.584 0.076 0.000 1.144 356 A CA -0.231 51.922 52.037 0.194 0.000 0.806 356 A CB 0.210 19.316 19.000 0.175 0.000 1.080 356 A HN 0.701 nan 8.150 nan 0.000 0.509 357 L N 3.000 124.293 121.223 0.117 0.000 2.343 357 L HA 0.328 4.668 4.340 -0.000 0.000 0.278 357 L C -0.980 175.933 176.870 0.071 0.000 0.996 357 L CA -0.622 54.245 54.840 0.045 0.000 0.831 357 L CB 1.905 43.991 42.059 0.045 0.000 1.232 357 L HN 0.708 nan 8.230 nan 0.000 0.413 358 D N 6.178 126.574 120.400 -0.006 0.000 2.472 358 D HA 0.250 4.890 4.640 -0.000 0.000 0.234 358 D C -1.718 174.634 176.300 0.087 0.000 1.088 358 D CA -1.874 52.166 54.000 0.067 0.000 0.882 358 D CB 1.700 42.479 40.800 -0.034 0.000 1.037 358 D HN 0.214 nan 8.370 nan 0.000 0.520 359 P HA -0.002 nan 4.420 nan 0.000 0.247 359 P C -0.093 177.256 177.300 0.081 0.000 1.225 359 P CA 0.063 63.197 63.100 0.058 0.000 0.768 359 P CB 0.049 31.778 31.700 0.048 0.000 1.020 360 T N 4.480 119.187 114.554 0.255 0.000 2.727 360 T HA 0.259 4.609 4.350 -0.000 0.000 0.298 360 T C -2.351 172.463 174.700 0.191 0.000 0.942 360 T CA -1.477 60.840 62.100 0.362 0.000 0.997 360 T CB 0.646 69.859 68.868 0.574 0.000 0.917 360 T HN 0.123 nan 8.240 nan 0.000 0.487 361 P HA 0.097 nan 4.420 nan 0.000 0.271 361 P C -0.731 176.539 177.300 -0.049 0.000 1.220 361 P CA -0.307 62.777 63.100 -0.027 0.000 0.768 361 P CB 0.617 32.263 31.700 -0.091 0.000 0.848 362 Q N 0.743 120.449 119.800 -0.157 0.000 2.451 362 Q HA 0.396 4.736 4.340 -0.000 0.000 0.281 362 Q C -0.519 175.349 176.000 -0.219 0.000 1.099 362 Q CA -1.108 54.544 55.803 -0.252 0.000 0.806 362 Q CB 1.687 30.152 28.738 -0.456 0.000 1.419 362 Q HN 0.389 nan 8.270 nan 0.000 0.427 363 E N 1.617 121.720 120.200 -0.162 0.000 2.493 363 E HA 0.020 4.370 4.350 -0.000 0.000 0.255 363 E C -1.002 175.598 176.600 -0.001 0.000 0.999 363 E CA 0.450 56.804 56.400 -0.076 0.000 0.934 363 E CB 0.576 30.248 29.700 -0.046 0.000 0.940 363 E HN 0.371 nan 8.360 nan 0.000 0.473 364 K N 1.638 122.043 120.400 0.009 0.000 2.313 364 K HA 0.197 4.517 4.320 -0.000 0.000 0.235 364 K C 1.337 178.035 176.600 0.163 0.000 1.035 364 K CA -0.162 56.193 56.287 0.114 0.000 0.868 364 K CB 1.292 33.758 32.500 -0.055 0.000 1.232 364 K HN 0.568 nan 8.250 nan 0.000 0.459 365 S N 0.428 116.260 115.700 0.220 0.000 2.392 365 S HA -0.232 4.238 4.470 -0.000 0.000 0.232 365 S C 0.316 174.969 174.600 0.087 0.000 1.041 365 S CA 1.341 59.619 58.200 0.129 0.000 1.026 365 S CB -0.565 62.706 63.200 0.118 0.000 0.845 365 S HN 0.709 nan 8.310 nan 0.000 0.465 366 E N 0.279 120.536 120.200 0.095 0.000 3.117 366 E HA 0.587 4.937 4.350 -0.000 0.000 0.262 366 E C 0.164 176.857 176.600 0.155 0.000 1.202 366 E CA -0.601 55.851 56.400 0.088 0.000 0.853 366 E CB 0.487 30.221 29.700 0.056 0.000 1.426 366 E HN 0.474 nan 8.360 nan 0.000 0.387 367 G N 0.994 109.886 108.800 0.153 0.000 2.434 367 G HA2 -0.105 3.855 3.960 -0.000 0.000 0.671 367 G HA3 -0.105 3.855 3.960 -0.000 0.000 0.671 367 G C -0.727 174.216 174.900 0.072 0.000 1.280 367 G CA -0.689 44.532 45.100 0.201 0.000 0.975 367 G HN 0.205 nan 8.290 nan 0.000 0.510 368 T N 1.498 115.899 114.554 -0.256 0.000 2.864 368 T HA 0.691 5.041 4.350 -0.000 0.000 0.310 368 T C -1.120 173.133 174.700 -0.744 0.000 1.040 368 T CA -0.038 61.854 62.100 -0.347 0.000 0.977 368 T CB 0.509 69.209 68.868 -0.280 0.000 0.976 368 T HN 0.555 nan 8.240 nan 0.000 0.459 369 Y N 0.190 120.405 120.300 -0.143 0.000 2.669 369 Y HA 0.574 5.124 4.550 -0.000 0.000 0.335 369 Y C 0.964 176.754 175.900 -0.183 0.000 1.116 369 Y CA -1.551 56.463 58.100 -0.143 0.000 1.081 369 Y CB 0.618 38.998 38.460 -0.135 0.000 1.297 369 Y HN 0.747 nan 8.280 nan 0.000 0.484 370 C N -1.120 118.191 119.300 0.019 0.000 2.641 370 C HA 0.800 5.260 4.460 -0.000 0.000 0.318 370 C C 0.185 175.109 174.990 -0.110 0.000 1.490 370 C CA -0.895 58.091 59.018 -0.054 0.000 2.260 370 C CB -0.022 27.690 27.740 -0.046 0.000 2.103 370 C HN 0.781 nan 8.230 nan 0.000 0.641 371 C N -0.024 119.206 119.300 -0.116 0.000 2.971 371 C HA 0.973 5.433 4.460 -0.000 0.000 0.310 371 C C 0.664 175.598 174.990 -0.093 0.000 1.285 371 C CA 0.849 59.785 59.018 -0.136 0.000 1.593 371 C CB 0.650 28.285 27.740 -0.175 0.000 2.076 371 C HN 1.996 nan 8.230 nan 0.000 0.472 372 G N 2.326 111.099 108.800 -0.045 0.000 2.760 372 G HA2 -0.042 3.918 3.960 -0.000 0.000 0.246 372 G HA3 -0.042 3.918 3.960 -0.000 0.000 0.246 372 G C -3.140 171.715 174.900 -0.075 0.000 1.359 372 G CA -0.739 44.360 45.100 -0.001 0.000 0.861 372 G HN 0.650 nan 8.290 nan 0.000 0.541 373 P HA 0.481 nan 4.420 nan 0.000 0.276 373 P C -0.453 176.925 177.300 0.131 0.000 1.230 373 P CA -0.056 63.083 63.100 0.064 0.000 0.776 373 P CB 1.820 33.548 31.700 0.048 0.000 0.888 374 V N 4.705 124.649 119.914 0.051 0.000 2.735 374 V HA 0.487 4.607 4.120 -0.000 0.000 0.310 374 V C -2.670 173.386 176.094 -0.063 0.000 1.061 374 V CA -2.968 59.328 62.300 -0.008 0.000 0.913 374 V CB 2.318 34.136 31.823 -0.008 0.000 1.005 374 V HN 0.365 nan 8.190 nan 0.000 0.428 375 P HA 0.186 nan 4.420 nan 0.000 0.271 375 P C 0.786 177.975 177.300 -0.185 0.000 1.220 375 P CA 0.053 63.027 63.100 -0.210 0.000 0.768 375 P CB 1.202 32.637 31.700 -0.442 0.000 0.848 376 V N 4.233 124.074 119.914 -0.121 0.000 2.343 376 V HA -0.238 3.882 4.120 -0.000 0.000 0.247 376 V C 2.414 178.384 176.094 -0.207 0.000 1.051 376 V CA 1.712 63.873 62.300 -0.231 0.000 1.036 376 V CB -0.903 30.692 31.823 -0.381 0.000 0.654 376 V HN 0.638 nan 8.190 nan 0.000 0.451 377 R N -0.147 120.284 120.500 -0.116 0.000 2.127 377 R HA -0.171 4.169 4.340 -0.000 0.000 0.238 377 R C 2.307 178.607 176.300 -0.001 0.000 1.134 377 R CA 1.474 57.564 56.100 -0.017 0.000 0.975 377 R CB -0.356 30.018 30.300 0.124 0.000 0.865 377 R HN 0.544 nan 8.270 nan 0.000 0.447 378 A N 1.013 123.705 122.820 -0.213 0.000 1.898 378 A HA -0.130 4.190 4.320 -0.000 0.000 0.216 378 A C 1.964 179.531 177.584 -0.028 0.000 1.181 378 A CA 1.006 52.895 52.037 -0.246 0.000 0.620 378 A CB -0.287 18.329 19.000 -0.639 0.000 0.819 378 A HN 0.178 nan 8.150 nan 0.000 0.442 379 I N 0.108 120.680 120.570 0.004 0.000 2.226 379 I HA -0.199 3.971 4.170 -0.000 0.000 0.245 379 I C 2.336 178.624 176.117 0.285 0.000 1.100 379 I CA 1.884 63.301 61.300 0.196 0.000 1.374 379 I CB -1.201 36.925 38.000 0.210 0.000 1.057 379 I HN 0.449 nan 8.210 nan 0.000 0.413 380 K N 0.975 121.447 120.400 0.120 0.000 2.057 380 K HA -0.219 4.101 4.320 -0.000 0.000 0.207 380 K C 1.894 178.621 176.600 0.212 0.000 1.049 380 K CA 1.512 57.851 56.287 0.086 0.000 0.931 380 K CB 0.075 32.491 32.500 -0.141 0.000 0.714 380 K HN 0.012 nan 8.250 nan 0.000 0.440 381 E N -0.813 119.517 120.200 0.217 0.000 2.358 381 E HA 0.028 4.378 4.350 -0.000 0.000 0.195 381 E C 0.725 177.472 176.600 0.245 0.000 1.010 381 E CA 0.890 57.459 56.400 0.281 0.000 0.856 381 E CB 0.354 30.203 29.700 0.248 0.000 0.795 381 E HN 0.573 nan 8.360 nan 0.000 0.504 382 G N 1.094 110.015 108.800 0.201 0.000 2.143 382 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.249 382 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.249 382 G C 0.142 174.977 174.900 -0.109 0.000 0.981 382 G CA 0.288 45.376 45.100 -0.020 0.000 0.665 382 G HN 0.318 nan 8.290 nan 0.000 0.528 383 D N 0.729 121.122 120.400 -0.013 0.000 2.688 383 D HA 0.333 4.973 4.640 -0.000 0.000 0.228 383 D C 1.928 178.181 176.300 -0.078 0.000 1.116 383 D CA -0.580 53.417 54.000 -0.005 0.000 1.023 383 D CB -0.236 40.635 40.800 0.117 0.000 1.100 383 D HN 0.089 nan 8.370 nan 0.000 0.487 384 L N 1.214 122.340 121.223 -0.162 0.000 2.447 384 L HA -0.139 4.201 4.340 -0.000 0.000 0.225 384 L C 2.368 179.176 176.870 -0.103 0.000 1.148 384 L CA 1.090 55.826 54.840 -0.173 0.000 0.808 384 L CB -1.005 40.894 42.059 -0.267 0.000 0.928 384 L HN 0.305 nan 8.230 nan 0.000 0.448 385 S N -3.744 111.913 115.700 -0.072 0.000 2.527 385 S HA 0.028 4.498 4.470 -0.000 0.000 0.222 385 S C 1.049 175.615 174.600 -0.056 0.000 0.985 385 S CA -0.118 58.049 58.200 -0.054 0.000 0.921 385 S CB -0.739 62.440 63.200 -0.036 0.000 0.772 385 S HN 0.352 nan 8.310 nan 0.000 0.529 386 T N 2.992 117.509 114.554 -0.062 0.000 2.930 386 T HA 0.207 4.557 4.350 -0.000 0.000 0.306 386 T C -0.128 174.494 174.700 -0.131 0.000 1.045 386 T CA -0.049 61.996 62.100 -0.091 0.000 1.134 386 T CB 0.759 69.532 68.868 -0.158 0.000 0.961 386 T HN 0.313 nan 8.240 nan 0.000 0.545 387 K N 1.929 122.205 120.400 -0.208 0.000 2.205 387 K HA 0.337 4.657 4.320 -0.000 0.000 0.279 387 K C -1.269 175.173 176.600 -0.264 0.000 1.027 387 K CA -0.474 55.583 56.287 -0.383 0.000 0.932 387 K CB 0.496 32.585 32.500 -0.684 0.000 1.032 387 K HN 0.559 nan 8.250 nan 0.000 0.466 388 Y N 1.951 122.227 120.300 -0.040 0.000 2.393 388 Y HA 0.160 4.710 4.550 -0.000 0.000 0.341 388 Y C 0.011 175.900 175.900 -0.017 0.000 0.988 388 Y CA -0.626 57.458 58.100 -0.028 0.000 1.078 388 Y CB 1.687 40.124 38.460 -0.038 0.000 1.203 388 Y HN 0.799 nan 8.280 nan 0.000 0.453 389 D N 0.750 121.250 120.400 0.167 0.000 2.981 389 D HA -0.259 4.381 4.640 -0.000 0.000 0.223 389 D C 1.318 177.731 176.300 0.189 0.000 1.151 389 D CA 0.832 54.952 54.000 0.200 0.000 0.827 389 D CB -1.047 39.819 40.800 0.110 0.000 1.101 389 D HN 0.765 nan 8.370 nan 0.000 0.426 390 A N 0.721 123.592 122.820 0.085 0.000 1.903 390 A HA -0.187 4.133 4.320 -0.000 0.000 0.219 390 A C 0.287 177.908 177.584 0.061 0.000 1.191 390 A CA 2.292 54.355 52.037 0.043 0.000 0.638 390 A CB -1.211 17.771 19.000 -0.031 0.000 0.823 390 A HN 0.373 nan 8.150 nan 0.000 0.451 391 P HA -0.148 nan 4.420 nan 0.000 0.219 391 P C 1.135 178.351 177.300 -0.140 0.000 1.146 391 P CA 1.035 64.074 63.100 -0.101 0.000 0.808 391 P CB -0.225 31.339 31.700 -0.226 0.000 0.779 392 F N 0.168 120.101 119.950 -0.028 0.000 2.098 392 F HA -0.116 4.411 4.527 -0.000 0.000 0.294 392 F C 2.645 178.387 175.800 -0.096 0.000 1.107 392 F CA 1.104 59.060 58.000 -0.073 0.000 1.234 392 F CB -1.425 37.516 39.000 -0.098 0.000 1.002 392 F HN -0.317 nan 8.300 nan 0.000 0.472 393 V N -0.241 119.719 119.914 0.077 0.000 2.392 393 V HA -0.326 3.794 4.120 -0.000 0.000 0.249 393 V C 2.132 178.227 176.094 0.002 0.000 1.059 393 V CA 1.754 64.000 62.300 -0.091 0.000 1.051 393 V CB -0.916 30.836 31.823 -0.118 0.000 0.658 393 V HN 0.316 nan 8.190 nan 0.000 0.455 394 F N 1.495 121.413 119.950 -0.054 0.000 2.161 394 F HA -0.208 4.319 4.527 -0.000 0.000 0.300 394 F C 2.237 177.977 175.800 -0.100 0.000 1.089 394 F CA 1.454 59.424 58.000 -0.049 0.000 1.282 394 F CB -0.405 38.543 39.000 -0.088 0.000 1.010 394 F HN 0.086 nan 8.300 nan 0.000 0.485 395 A N -0.016 122.762 122.820 -0.071 0.000 1.897 395 A HA -0.126 4.194 4.320 -0.000 0.000 0.215 395 A C 2.130 179.623 177.584 -0.151 0.000 1.181 395 A CA 1.409 53.343 52.037 -0.172 0.000 0.620 395 A CB -0.707 18.204 19.000 -0.148 0.000 0.821 395 A HN 0.423 nan 8.150 nan 0.000 0.443 396 E N -0.285 119.860 120.200 -0.092 0.000 2.130 396 E HA -0.158 4.192 4.350 -0.000 0.000 0.196 396 E C 1.839 178.439 176.600 0.001 0.000 0.998 396 E CA 1.569 57.958 56.400 -0.019 0.000 0.806 396 E CB -0.304 29.377 29.700 -0.031 0.000 0.738 396 E HN 0.403 nan 8.360 nan 0.000 0.459 397 V N 1.204 121.073 119.914 -0.075 0.000 3.471 397 V HA 0.013 4.133 4.120 -0.000 0.000 0.258 397 V C 1.168 177.182 176.094 -0.133 0.000 1.192 397 V CA 0.707 62.966 62.300 -0.068 0.000 1.116 397 V CB 0.048 31.844 31.823 -0.045 0.000 0.792 397 V HN 0.168 nan 8.190 nan 0.000 0.459 398 N N -0.253 118.265 118.700 -0.304 0.000 2.193 398 N HA 0.267 5.007 4.740 -0.000 0.000 0.210 398 N C 0.779 176.160 175.510 -0.215 0.000 1.215 398 N CA 0.514 53.367 53.050 -0.328 0.000 0.901 398 N CB 0.829 38.804 38.487 -0.853 0.000 1.060 398 N HN 0.339 nan 8.380 nan 0.000 0.508 399 A N 1.125 123.827 122.820 -0.197 0.000 2.583 399 A HA 0.008 4.328 4.320 -0.000 0.000 0.231 399 A C 0.008 177.597 177.584 0.007 0.000 1.065 399 A CA 0.647 52.619 52.037 -0.107 0.000 0.760 399 A CB 0.031 18.986 19.000 -0.075 0.000 1.001 399 A HN 0.127 nan 8.150 nan 0.000 0.509 400 D N 0.022 120.450 120.400 0.047 0.000 2.256 400 D HA 0.559 5.199 4.640 -0.000 0.000 0.246 400 D C -0.942 175.368 176.300 0.017 0.000 1.042 400 D CA -0.103 53.933 54.000 0.059 0.000 0.841 400 D CB 1.626 42.478 40.800 0.087 0.000 1.223 400 D HN 0.226 nan 8.370 nan 0.000 0.470 401 V N 3.235 123.159 119.914 0.016 0.000 2.555 401 V HA 0.531 4.651 4.120 -0.000 0.000 0.302 401 V C -0.292 175.769 176.094 -0.056 0.000 1.038 401 V CA -0.799 61.502 62.300 0.002 0.000 0.887 401 V CB 1.903 33.788 31.823 0.104 0.000 0.991 401 V HN 0.404 nan 8.190 nan 0.000 0.434 402 V N 3.271 123.107 119.914 -0.131 0.000 2.487 402 V HA 0.465 4.585 4.120 -0.000 0.000 0.298 402 V C -0.761 175.118 176.094 -0.358 0.000 1.028 402 V CA -0.655 61.467 62.300 -0.297 0.000 0.860 402 V CB 1.932 33.532 31.823 -0.372 0.000 0.991 402 V HN 0.830 nan 8.190 nan 0.000 0.427 403 D N 4.133 124.310 120.400 -0.371 0.000 2.392 403 D HA 0.304 4.944 4.640 -0.000 0.000 0.228 403 D C -0.910 175.167 176.300 -0.372 0.000 1.074 403 D CA -0.091 53.767 54.000 -0.237 0.000 0.838 403 D CB 1.537 42.293 40.800 -0.073 0.000 1.067 403 D HN 0.452 nan 8.370 nan 0.000 0.511 404 W N 2.460 123.604 121.300 -0.259 0.000 2.438 404 W HA 0.389 5.049 4.660 0.000 0.000 0.324 404 W C 0.215 176.650 176.519 -0.140 0.000 1.119 404 W CA -0.799 56.406 57.345 -0.233 0.000 1.221 404 W CB 1.216 30.442 29.460 -0.390 0.000 1.253 404 W HN 0.127 nan 8.180 nan 0.000 0.555 405 I N 3.494 124.123 120.570 0.098 0.000 2.354 405 I HA 0.119 4.289 4.170 -0.000 0.000 0.286 405 I C 0.228 176.349 176.117 0.007 0.000 1.007 405 I CA -1.267 59.989 61.300 -0.073 0.000 1.167 405 I CB 0.727 38.406 38.000 -0.535 0.000 1.320 405 I HN 0.528 nan 8.210 nan 0.000 0.458 406 Q N 6.043 125.899 119.800 0.093 0.000 2.299 406 Q HA 0.475 4.815 4.340 -0.000 0.000 0.246 406 Q C -0.911 175.129 176.000 0.066 0.000 0.935 406 Q CA -0.395 55.465 55.803 0.095 0.000 0.887 406 Q CB 2.476 31.283 28.738 0.115 0.000 1.223 406 Q HN 0.669 nan 8.270 nan 0.000 0.439 407 Q N 0.658 120.507 119.800 0.080 0.000 3.274 407 Q HA 0.273 4.613 4.340 -0.000 0.000 0.303 407 Q C -1.115 174.927 176.000 0.070 0.000 1.005 407 Q CA -0.944 54.917 55.803 0.096 0.000 0.831 407 Q CB 1.629 30.475 28.738 0.180 0.000 1.538 407 Q HN 0.717 nan 8.270 nan 0.000 0.481 408 D N 1.580 122.023 120.400 0.072 0.000 2.308 408 D HA 0.128 4.768 4.640 -0.000 0.000 0.251 408 D C -0.596 175.733 176.300 0.049 0.000 1.127 408 D CA 0.623 54.652 54.000 0.050 0.000 0.876 408 D CB 1.095 41.922 40.800 0.044 0.000 1.176 408 D HN 0.668 nan 8.370 nan 0.000 0.446 409 D N 0.923 121.339 120.400 0.028 0.000 3.108 409 D HA -0.121 4.519 4.640 -0.000 0.000 0.214 409 D C 1.017 177.319 176.300 0.003 0.000 1.098 409 D CA 1.143 55.153 54.000 0.017 0.000 0.901 409 D CB -1.182 39.636 40.800 0.029 0.000 1.091 409 D HN 0.717 nan 8.370 nan 0.000 0.435 410 G N -0.179 108.619 108.800 -0.003 0.000 2.256 410 G HA2 -0.348 3.612 3.960 -0.000 0.000 0.279 410 G HA3 -0.348 3.612 3.960 -0.000 0.000 0.279 410 G C 0.385 175.255 174.900 -0.049 0.000 0.998 410 G CA 1.265 46.347 45.100 -0.030 0.000 0.720 410 G HN 1.518 nan 8.290 nan 0.000 0.521 411 S N -1.425 114.260 115.700 -0.025 0.000 2.564 411 S HA 0.595 5.065 4.470 -0.000 0.000 0.278 411 S C 0.001 174.510 174.600 -0.152 0.000 1.333 411 S CA -0.380 57.767 58.200 -0.089 0.000 1.048 411 S CB 2.619 65.816 63.200 -0.005 0.000 0.900 411 S HN 0.832 nan 8.310 nan 0.000 0.505 412 V N 4.322 124.054 119.914 -0.303 0.000 2.487 412 V HA 0.433 4.553 4.120 -0.000 0.000 0.298 412 V C -0.674 175.229 176.094 -0.318 0.000 1.028 412 V CA -0.631 61.545 62.300 -0.207 0.000 0.860 412 V CB 1.493 33.203 31.823 -0.190 0.000 0.991 412 V HN 0.973 nan 8.190 nan 0.000 0.427 413 H N 3.617 122.807 119.070 0.200 0.000 2.529 413 H HA 0.363 4.919 4.556 -0.000 0.000 0.348 413 H C -0.452 175.025 175.328 0.249 0.000 1.079 413 H CA -0.874 55.312 56.048 0.231 0.000 1.198 413 H CB 2.233 32.052 29.762 0.095 0.000 1.521 413 H HN 0.513 nan 8.280 nan 0.000 0.514 414 K N 2.483 123.037 120.400 0.256 0.000 2.349 414 K HA 0.118 4.438 4.320 -0.000 0.000 0.289 414 K C 0.094 176.627 176.600 -0.113 0.000 1.064 414 K CA -0.357 55.757 56.287 -0.289 0.000 0.947 414 K CB 0.436 32.600 32.500 -0.560 0.000 1.007 414 K HN 0.662 nan 8.250 nan 0.000 0.478 415 S N 4.059 119.672 115.700 -0.145 0.000 2.632 415 S HA 0.370 4.840 4.470 -0.000 0.000 0.271 415 S C 0.249 174.811 174.600 -0.063 0.000 1.260 415 S CA -0.915 57.277 58.200 -0.015 0.000 1.010 415 S CB 0.656 63.864 63.200 0.013 0.000 0.965 415 S HN 0.544 nan 8.310 nan 0.000 0.534 416 I N 2.650 123.214 120.570 -0.011 0.000 2.342 416 I HA 0.308 4.478 4.170 -0.000 0.000 0.291 416 I C 0.046 176.156 176.117 -0.013 0.000 1.010 416 I CA -0.263 61.022 61.300 -0.025 0.000 1.308 416 I CB 0.763 38.757 38.000 -0.011 0.000 1.400 416 I HN 0.641 nan 8.210 nan 0.000 0.488 417 N N 6.119 124.807 118.700 -0.020 0.000 2.577 417 N HA 0.305 5.045 4.740 -0.000 0.000 0.275 417 N C 0.051 175.566 175.510 0.009 0.000 1.091 417 N CA -0.549 52.501 53.050 -0.000 0.000 0.843 417 N CB 1.074 39.558 38.487 -0.004 0.000 1.295 417 N HN 0.433 nan 8.380 nan 0.000 0.530 418 R N 0.504 121.016 120.500 0.020 0.000 2.312 418 R HA 0.073 4.413 4.340 -0.000 0.000 0.205 418 R C 1.443 177.765 176.300 0.036 0.000 0.904 418 R CA 0.565 56.681 56.100 0.026 0.000 1.052 418 R CB 0.317 30.633 30.300 0.027 0.000 1.014 418 R HN 0.560 nan 8.270 nan 0.000 0.503 419 S N 0.207 115.931 115.700 0.040 0.000 2.461 419 S HA -0.004 4.466 4.470 -0.000 0.000 0.228 419 S C 0.717 175.350 174.600 0.055 0.000 1.005 419 S CA 0.061 58.290 58.200 0.048 0.000 0.942 419 S CB 0.064 63.295 63.200 0.052 0.000 0.776 419 S HN 0.117 nan 8.310 nan 0.000 0.514 420 L N 1.777 123.032 121.223 0.054 0.000 2.272 420 L HA 0.662 5.002 4.340 -0.000 0.000 0.289 420 L C -1.224 175.688 176.870 0.069 0.000 1.032 420 L CA -0.658 54.222 54.840 0.067 0.000 0.810 420 L CB 1.011 43.112 42.059 0.071 0.000 1.205 420 L HN 0.245 nan 8.230 nan 0.000 0.422 421 I N 5.715 126.333 120.570 0.080 0.000 2.500 421 I HA 0.310 4.480 4.170 -0.000 0.000 0.286 421 I C -0.526 175.648 176.117 0.095 0.000 1.063 421 I CA -0.871 60.477 61.300 0.081 0.000 1.062 421 I CB 2.053 40.098 38.000 0.074 0.000 1.223 421 I HN 0.205 nan 8.210 nan 0.000 0.435 422 V N 4.951 124.921 119.914 0.093 0.000 2.715 422 V HA 0.415 4.535 4.120 -0.000 0.000 0.299 422 V C 0.947 177.093 176.094 0.087 0.000 1.054 422 V CA 0.291 62.648 62.300 0.096 0.000 1.077 422 V CB 1.002 32.869 31.823 0.073 0.000 0.972 422 V HN 1.075 nan 8.190 nan 0.000 0.484 423 G N 4.072 112.932 108.800 0.100 0.000 2.636 423 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.261 423 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.261 423 G C 0.086 175.039 174.900 0.087 0.000 1.018 423 G CA 0.226 45.374 45.100 0.079 0.000 1.308 423 G HN 0.598 nan 8.290 nan 0.000 0.514 424 L N 0.005 121.305 121.223 0.128 0.000 2.276 424 L HA 0.336 4.676 4.340 -0.000 0.000 0.194 424 L C 1.679 178.602 176.870 0.089 0.000 1.099 424 L CA 0.992 55.901 54.840 0.115 0.000 0.800 424 L CB 0.129 42.261 42.059 0.122 0.000 0.994 424 L HN 0.360 nan 8.230 nan 0.000 0.475 425 K N 1.139 121.642 120.400 0.171 0.000 2.920 425 K HA 0.373 4.693 4.320 -0.000 0.000 0.175 425 K C -0.819 175.826 176.600 0.075 0.000 1.099 425 K CA -0.199 56.130 56.287 0.069 0.000 0.939 425 K CB 1.022 33.481 32.500 -0.068 0.000 1.148 425 K HN 0.115 nan 8.250 nan 0.000 0.613 426 I N 2.034 122.582 120.570 -0.037 0.000 2.769 426 I HA -0.065 4.105 4.170 -0.000 0.000 0.285 426 I C 0.038 176.040 176.117 -0.191 0.000 1.173 426 I CA 0.772 61.968 61.300 -0.173 0.000 1.389 426 I CB -0.087 37.780 38.000 -0.222 0.000 1.404 426 I HN 0.293 nan 8.210 nan 0.000 0.544 427 S N 4.348 119.900 115.700 -0.248 0.000 2.536 427 S HA 0.704 5.174 4.470 -0.000 0.000 0.298 427 S C -0.127 174.295 174.600 -0.296 0.000 1.083 427 S CA -0.645 57.342 58.200 -0.354 0.000 0.995 427 S CB 2.561 65.422 63.200 -0.564 0.000 1.058 427 S HN 0.729 nan 8.310 nan 0.000 0.488 428 T N 0.947 115.342 114.554 -0.264 0.000 2.889 428 T HA 0.401 4.751 4.350 -0.000 0.000 0.315 428 T C -1.358 173.400 174.700 0.097 0.000 1.291 428 T CA -0.798 61.292 62.100 -0.016 0.000 1.028 428 T CB 1.182 69.977 68.868 -0.122 0.000 1.235 428 T HN 0.624 nan 8.240 nan 0.000 0.491 429 K N 2.352 122.952 120.400 0.333 0.000 2.436 429 K HA 0.337 4.657 4.320 -0.000 0.000 0.275 429 K C 0.125 176.820 176.600 0.157 0.000 0.999 429 K CA -0.134 56.347 56.287 0.323 0.000 0.980 429 K CB 0.280 32.977 32.500 0.328 0.000 0.919 429 K HN 0.572 nan 8.250 nan 0.000 0.484 430 S N 1.804 117.575 115.700 0.119 0.000 2.579 430 S HA 0.001 4.471 4.470 -0.000 0.000 0.275 430 S C -0.372 174.238 174.600 0.017 0.000 1.345 430 S CA -0.748 57.486 58.200 0.057 0.000 1.031 430 S CB 1.176 64.400 63.200 0.041 0.000 0.892 430 S HN 0.539 nan 8.310 nan 0.000 0.529 431 V N 2.622 122.516 119.914 -0.034 0.000 2.470 431 V HA 0.551 4.671 4.120 -0.000 0.000 0.276 431 V C 1.113 177.148 176.094 -0.098 0.000 1.040 431 V CA 0.825 63.038 62.300 -0.146 0.000 1.008 431 V CB -0.288 31.403 31.823 -0.221 0.000 0.990 431 V HN 1.260 nan 8.190 nan 0.000 0.477 432 G N 5.332 114.070 108.800 -0.103 0.000 2.212 432 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.266 432 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.266 432 G C 0.275 175.167 174.900 -0.014 0.000 0.978 432 G CA 0.689 45.754 45.100 -0.059 0.000 0.632 432 G HN 1.338 nan 8.290 nan 0.000 0.537 433 R N -1.130 119.377 120.500 0.011 0.000 2.855 433 R HA 0.690 5.030 4.340 -0.000 0.000 0.266 433 R C -0.412 175.954 176.300 0.110 0.000 1.034 433 R CA -0.651 55.480 56.100 0.051 0.000 0.944 433 R CB 0.665 30.989 30.300 0.040 0.000 1.219 433 R HN -0.113 nan 8.270 nan 0.000 0.474 434 D N 0.576 121.076 120.400 0.166 0.000 2.349 434 D HA 0.019 4.659 4.640 -0.000 0.000 0.224 434 D C -0.456 175.980 176.300 0.228 0.000 1.029 434 D CA 0.740 54.932 54.000 0.320 0.000 0.879 434 D CB 0.160 41.202 40.800 0.402 0.000 0.906 434 D HN 0.393 nan 8.370 nan 0.000 0.528 435 E N 0.530 120.801 120.200 0.120 0.000 2.390 435 E HA 0.117 4.467 4.350 -0.000 0.000 0.261 435 E C 0.443 177.073 176.600 0.049 0.000 1.076 435 E CA -0.258 56.170 56.400 0.048 0.000 0.905 435 E CB 1.028 30.737 29.700 0.015 0.000 0.984 435 E HN -0.049 nan 8.360 nan 0.000 0.427 436 R N 2.039 122.516 120.500 -0.038 0.000 2.340 436 R HA 0.075 4.415 4.340 -0.000 0.000 0.300 436 R C -0.469 175.728 176.300 -0.172 0.000 1.069 436 R CA -0.148 55.847 56.100 -0.175 0.000 0.984 436 R CB 0.606 30.649 30.300 -0.427 0.000 1.003 436 R HN 0.591 nan 8.270 nan 0.000 0.459 437 E N 3.414 123.518 120.200 -0.160 0.000 2.156 437 E HA 0.022 4.372 4.350 -0.000 0.000 0.279 437 E C -1.209 175.305 176.600 -0.144 0.000 0.965 437 E CA -0.645 55.696 56.400 -0.099 0.000 0.789 437 E CB 1.096 30.777 29.700 -0.032 0.000 1.098 437 E HN 0.509 nan 8.360 nan 0.000 0.397 438 D N 5.489 125.837 120.400 -0.087 0.000 2.316 438 D HA 0.087 4.727 4.640 -0.000 0.000 0.245 438 D C 0.713 177.010 176.300 -0.006 0.000 1.171 438 D CA -0.302 53.653 54.000 -0.075 0.000 0.856 438 D CB 0.755 41.528 40.800 -0.044 0.000 1.090 438 D HN 0.629 nan 8.370 nan 0.000 0.476 439 I N 0.987 121.504 120.570 -0.089 0.000 3.941 439 I HA 0.089 4.259 4.170 -0.000 0.000 0.335 439 I C 1.042 177.059 176.117 -0.166 0.000 1.402 439 I CA -0.449 60.740 61.300 -0.185 0.000 1.112 439 I CB 0.142 38.028 38.000 -0.190 0.000 1.043 439 I HN 0.050 nan 8.210 nan 0.000 0.395 440 T N 1.962 116.492 114.554 -0.040 0.000 2.737 440 T HA -0.238 4.112 4.350 -0.000 0.000 0.269 440 T C 1.873 176.595 174.700 0.036 0.000 1.040 440 T CA 2.412 64.531 62.100 0.031 0.000 1.142 440 T CB -0.745 68.152 68.868 0.049 0.000 0.861 440 T HN 0.669 nan 8.240 nan 0.000 0.456 441 H N 1.092 120.192 119.070 0.050 0.000 2.489 441 H HA -0.028 4.528 4.556 -0.000 0.000 0.293 441 H C 2.138 177.456 175.328 -0.017 0.000 1.066 441 H CA 1.617 57.677 56.048 0.019 0.000 1.305 441 H CB -0.814 28.958 29.762 0.016 0.000 1.386 441 H HN 0.536 nan 8.280 nan 0.000 0.551 442 T N -2.566 111.703 114.554 -0.475 0.000 3.067 442 T HA -0.058 4.292 4.350 -0.000 0.000 0.261 442 T C 1.438 175.967 174.700 -0.284 0.000 1.110 442 T CA 0.354 62.245 62.100 -0.347 0.000 1.113 442 T CB -0.508 68.123 68.868 -0.396 0.000 0.917 442 T HN 0.342 nan 8.240 nan 0.000 0.499 443 Y N 1.137 121.365 120.300 -0.119 0.000 2.524 443 Y HA 0.494 5.044 4.550 -0.000 0.000 0.270 443 Y C 0.870 176.748 175.900 -0.037 0.000 1.094 443 Y CA -0.245 57.834 58.100 -0.035 0.000 1.276 443 Y CB 0.594 39.066 38.460 0.020 0.000 1.130 443 Y HN 0.113 nan 8.280 nan 0.000 0.536 444 K N -0.962 119.481 120.400 0.072 0.000 2.498 444 K HA 0.342 4.662 4.320 -0.000 0.000 0.254 444 K C -1.798 174.789 176.600 -0.022 0.000 0.933 444 K CA -0.809 55.508 56.287 0.050 0.000 0.806 444 K CB 1.833 34.410 32.500 0.127 0.000 1.301 444 K HN -0.259 nan 8.250 nan 0.000 0.432 445 Y N 1.344 121.701 120.300 0.095 0.000 2.300 445 Y HA 0.229 4.779 4.550 -0.000 0.000 0.328 445 Y C -1.869 174.046 175.900 0.026 0.000 1.270 445 Y CA -1.906 56.226 58.100 0.054 0.000 1.352 445 Y CB 0.171 38.638 38.460 0.012 0.000 1.286 445 Y HN 0.405 nan 8.280 nan 0.000 0.536 446 P HA -0.050 nan 4.420 nan 0.000 0.265 446 P C -0.910 176.425 177.300 0.058 0.000 1.187 446 P CA 0.209 63.376 63.100 0.111 0.000 0.766 446 P CB 0.359 32.113 31.700 0.089 0.000 0.820 447 E N 1.632 121.859 120.200 0.044 0.000 2.415 447 E HA 0.188 4.538 4.350 -0.000 0.000 0.263 447 E C 1.209 177.805 176.600 -0.007 0.000 0.995 447 E CA 0.534 56.945 56.400 0.019 0.000 0.915 447 E CB -0.201 29.524 29.700 0.041 0.000 0.951 447 E HN 0.781 nan 8.360 nan 0.000 0.449 448 G N 2.819 111.594 108.800 -0.043 0.000 2.168 448 G HA2 -0.337 3.623 3.960 -0.000 0.000 0.257 448 G HA3 -0.337 3.623 3.960 -0.000 0.000 0.257 448 G C 0.314 175.183 174.900 -0.051 0.000 0.997 448 G CA 0.612 45.687 45.100 -0.043 0.000 0.708 448 G HN 0.644 nan 8.290 nan 0.000 0.520 449 S N -0.862 114.798 115.700 -0.066 0.000 2.693 449 S HA 0.720 5.190 4.470 -0.000 0.000 0.276 449 S C 1.753 176.285 174.600 -0.113 0.000 1.192 449 S CA 0.691 58.849 58.200 -0.070 0.000 0.994 449 S CB 1.730 64.900 63.200 -0.050 0.000 1.012 449 S HN 1.466 nan 8.310 nan 0.000 0.550 450 S N 0.705 116.335 115.700 -0.117 0.000 2.368 450 S HA -0.168 4.302 4.470 -0.000 0.000 0.224 450 S C 1.591 176.080 174.600 -0.186 0.000 1.029 450 S CA 0.990 59.116 58.200 -0.124 0.000 0.988 450 S CB -0.874 62.266 63.200 -0.100 0.000 0.838 450 S HN 0.841 nan 8.310 nan 0.000 0.462 451 E N 1.740 121.753 120.200 -0.312 0.000 2.150 451 E HA -0.187 4.163 4.350 -0.000 0.000 0.193 451 E C 2.010 178.402 176.600 -0.347 0.000 0.985 451 E CA 1.221 57.303 56.400 -0.531 0.000 0.814 451 E CB -0.575 28.369 29.700 -1.260 0.000 0.752 451 E HN 0.864 nan 8.360 nan 0.000 0.466 452 E N 1.543 121.602 120.200 -0.234 0.000 2.077 452 E HA -0.213 4.137 4.350 -0.000 0.000 0.193 452 E C 2.334 178.723 176.600 -0.350 0.000 0.989 452 E CA 0.887 57.140 56.400 -0.245 0.000 0.800 452 E CB -0.019 29.474 29.700 -0.344 0.000 0.746 452 E HN 0.128 nan 8.360 nan 0.000 0.452 453 R N 0.288 120.653 120.500 -0.225 0.000 2.091 453 R HA -0.166 4.174 4.340 -0.000 0.000 0.238 453 R C 2.236 178.543 176.300 0.011 0.000 1.136 453 R CA 1.786 57.828 56.100 -0.097 0.000 0.959 453 R CB 0.042 30.303 30.300 -0.064 0.000 0.856 453 R HN 0.152 nan 8.270 nan 0.000 0.437 454 E N 0.250 120.443 120.200 -0.013 0.000 2.031 454 E HA -0.177 4.173 4.350 -0.000 0.000 0.193 454 E C 1.957 178.634 176.600 0.128 0.000 0.994 454 E CA 1.482 57.904 56.400 0.037 0.000 0.800 454 E CB -0.538 29.158 29.700 -0.007 0.000 0.752 454 E HN 0.463 nan 8.360 nan 0.000 0.447 455 A N 0.692 123.625 122.820 0.189 0.000 1.908 455 A HA -0.145 4.175 4.320 -0.000 0.000 0.218 455 A C 2.217 180.096 177.584 0.492 0.000 1.181 455 A CA 1.216 53.459 52.037 0.342 0.000 0.627 455 A CB -1.000 18.285 19.000 0.474 0.000 0.818 455 A HN 0.249 nan 8.150 nan 0.000 0.445 456 F N -0.091 119.991 119.950 0.219 0.000 2.259 456 F HA -0.133 4.394 4.527 -0.000 0.000 0.298 456 F C 2.683 178.561 175.800 0.131 0.000 1.088 456 F CA 0.996 59.142 58.000 0.243 0.000 1.358 456 F CB -0.198 38.920 39.000 0.196 0.000 1.040 456 F HN 0.188 nan 8.300 nan 0.000 0.505 457 T N -0.174 114.545 114.554 0.275 0.000 2.770 457 T HA -0.131 4.219 4.350 -0.000 0.000 0.263 457 T C 1.769 176.523 174.700 0.091 0.000 1.039 457 T CA 0.945 63.132 62.100 0.145 0.000 1.142 457 T CB -0.255 68.671 68.868 0.098 0.000 0.868 457 T HN 0.210 nan 8.240 nan 0.000 0.435 458 R N 1.098 121.651 120.500 0.088 0.000 2.285 458 R HA 0.155 4.495 4.340 -0.000 0.000 0.213 458 R C 1.965 178.241 176.300 -0.040 0.000 1.068 458 R CA 0.867 56.985 56.100 0.030 0.000 1.004 458 R CB -0.106 30.221 30.300 0.044 0.000 0.873 458 R HN 0.294 nan 8.270 nan 0.000 0.467 459 A N 0.611 123.400 122.820 -0.051 0.000 2.431 459 A HA 0.110 4.430 4.320 -0.000 0.000 0.239 459 A C -0.150 177.370 177.584 -0.106 0.000 1.230 459 A CA -0.461 51.442 52.037 -0.222 0.000 0.928 459 A CB 0.214 18.865 19.000 -0.583 0.000 1.006 459 A HN 0.287 nan 8.150 nan 0.000 0.520 460 N N 0.362 119.062 118.700 0.000 0.000 2.671 460 N HA -0.220 4.520 4.740 -0.000 0.000 0.261 460 N C -0.309 175.254 175.510 0.089 0.000 1.053 460 N CA 1.242 54.310 53.050 0.029 0.000 0.732 460 N CB -1.188 37.294 38.487 -0.009 0.000 0.887 460 N HN 0.778 nan 8.380 nan 0.000 0.546 461 H N -0.244 118.812 119.070 -0.023 0.000 3.074 461 H HA 0.308 4.864 4.556 -0.000 0.000 0.227 461 H C 0.778 176.101 175.328 -0.008 0.000 1.365 461 H CA -0.333 55.669 56.048 -0.076 0.000 1.078 461 H CB -0.229 29.419 29.762 -0.189 0.000 2.347 461 H HN 0.296 nan 8.280 nan 0.000 0.567 462 L N 0.175 121.398 121.223 0.000 0.000 2.675 462 L HA 0.040 4.380 4.340 -0.000 0.000 0.238 462 L C 0.099 176.945 176.870 -0.040 0.000 1.155 462 L CA 0.065 54.928 54.840 0.039 0.000 0.881 462 L CB -0.362 41.740 42.059 0.071 0.000 1.008 462 L HN 0.323 nan 8.230 nan 0.000 0.443 463 N N 2.977 121.570 118.700 -0.179 0.000 2.406 463 N HA 0.064 4.804 4.740 -0.000 0.000 0.265 463 N C 0.313 175.743 175.510 -0.134 0.000 1.203 463 N CA 0.292 53.262 53.050 -0.133 0.000 0.945 463 N CB 0.399 38.820 38.487 -0.110 0.000 1.165 463 N HN 0.362 nan 8.380 nan 0.000 0.485 464 K N -0.135 120.250 120.400 -0.026 0.000 3.477 464 K HA 0.072 4.392 4.320 -0.000 0.000 0.127 464 K C -0.100 176.516 176.600 0.026 0.000 0.937 464 K CA -0.213 56.088 56.287 0.023 0.000 0.929 464 K CB -1.022 31.538 32.500 0.100 0.000 0.648 464 K HN 0.122 nan 8.250 nan 0.000 0.373 465 L N 1.571 122.802 121.223 0.013 0.000 2.465 465 L HA 0.141 4.481 4.340 -0.000 0.000 0.224 465 L C 0.709 177.587 176.870 0.013 0.000 1.145 465 L CA 0.835 55.684 54.840 0.015 0.000 0.834 465 L CB -0.445 41.622 42.059 0.013 0.000 0.944 465 L HN 0.596 nan 8.230 nan 0.000 0.451 466 A N 0.440 123.266 122.820 0.010 0.000 2.277 466 A HA -0.180 4.140 4.320 -0.000 0.000 0.627 466 A C 1.181 178.766 177.584 0.002 0.000 0.242 466 A CA 0.327 52.368 52.037 0.007 0.000 0.209 466 A CB -0.432 18.576 19.000 0.014 0.000 3.637 466 A HN 0.374 nan 8.150 nan 0.000 0.501 467 E N 1.933 122.128 120.200 -0.008 0.000 2.110 467 E HA -0.163 4.187 4.350 -0.000 0.000 0.193 467 E C 1.358 177.958 176.600 0.001 0.000 0.988 467 E CA 1.350 57.744 56.400 -0.009 0.000 0.804 467 E CB -0.207 29.476 29.700 -0.028 0.000 0.745 467 E HN 0.898 nan 8.360 nan 0.000 0.458 468 K N -0.317 120.084 120.400 0.002 0.000 3.290 468 K HA -0.330 3.990 4.320 -0.000 0.000 0.309 468 K C 1.069 177.675 176.600 0.010 0.000 1.207 468 K CA 1.384 57.676 56.287 0.009 0.000 0.939 468 K CB -1.302 31.206 32.500 0.013 0.000 1.230 468 K HN 0.274 nan 8.250 nan 0.000 0.428 469 E N 1.371 121.575 120.200 0.007 0.000 2.217 469 E HA -0.284 4.066 4.350 -0.000 0.000 0.219 469 E C 0.311 176.917 176.600 0.009 0.000 1.070 469 E CA 1.502 57.908 56.400 0.010 0.000 0.889 469 E CB -0.305 29.399 29.700 0.008 0.000 0.768 469 E HN 0.502 nan 8.360 nan 0.000 0.465 470 E N 0.331 120.534 120.200 0.005 0.000 2.401 470 E HA -0.244 4.106 4.350 -0.000 0.000 0.272 470 E C -0.471 176.130 176.600 0.001 0.000 1.895 470 E CA 0.407 56.810 56.400 0.005 0.000 0.997 470 E CB -0.285 29.425 29.700 0.017 0.000 0.834 470 E HN 0.190 nan 8.360 nan 0.000 0.334 471 T N 2.906 117.445 114.554 -0.025 0.000 3.228 471 T HA 0.142 4.492 4.350 -0.000 0.000 0.261 471 T C 1.567 176.265 174.700 -0.003 0.000 1.171 471 T CA 0.718 62.789 62.100 -0.047 0.000 1.056 471 T CB -0.090 68.682 68.868 -0.159 0.000 0.938 471 T HN 0.911 nan 8.240 nan 0.000 0.539 472 G N 1.136 109.946 108.800 0.017 0.000 2.267 472 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.257 472 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.257 472 G C 0.189 175.110 174.900 0.036 0.000 0.998 472 G CA 0.004 45.132 45.100 0.045 0.000 0.620 472 G HN 0.488 nan 8.290 nan 0.000 0.529 473 M N 0.928 120.523 119.600 -0.008 0.000 2.342 473 M HA 0.644 5.124 4.480 -0.000 0.000 0.332 473 M C 0.319 176.611 176.300 -0.014 0.000 1.166 473 M CA 0.323 55.606 55.300 -0.027 0.000 1.086 473 M CB 1.756 34.282 32.600 -0.124 0.000 1.541 473 M HN 0.696 nan 8.290 nan 0.000 0.462 474 A N 3.255 126.078 122.820 0.005 0.000 2.556 474 A HA 0.954 5.274 4.320 -0.000 0.000 0.294 474 A C -1.380 176.224 177.584 0.033 0.000 1.091 474 A CA -0.770 51.281 52.037 0.023 0.000 0.704 474 A CB 2.541 21.568 19.000 0.046 0.000 1.300 474 A HN 0.930 nan 8.150 nan 0.000 0.406 475 M N 1.429 121.057 119.600 0.047 0.000 2.414 475 M HA 0.631 5.111 4.480 -0.000 0.000 0.287 475 M C -1.533 174.817 176.300 0.083 0.000 1.181 475 M CA -0.365 54.974 55.300 0.066 0.000 0.933 475 M CB 1.839 34.463 32.600 0.040 0.000 1.732 475 M HN 1.057 nan 8.290 nan 0.000 0.486 476 R N 3.366 123.938 120.500 0.119 0.000 2.734 476 R HA 0.617 4.957 4.340 -0.000 0.000 0.271 476 R C -1.738 174.645 176.300 0.140 0.000 1.021 476 R CA -1.020 55.146 56.100 0.110 0.000 0.893 476 R CB 1.103 31.457 30.300 0.091 0.000 1.244 476 R HN 0.562 nan 8.270 nan 0.000 0.464 477 I N 1.827 122.468 120.570 0.117 0.000 2.395 477 I HA 0.376 4.546 4.170 -0.000 0.000 0.289 477 I C 0.196 176.395 176.117 0.137 0.000 1.023 477 I CA -0.482 60.898 61.300 0.132 0.000 1.350 477 I CB 0.951 39.013 38.000 0.102 0.000 1.409 477 I HN 0.582 nan 8.210 nan 0.000 0.507 478 R N 3.417 124.036 120.500 0.197 0.000 2.711 478 R HA 0.509 4.849 4.340 -0.000 0.000 0.284 478 R C 0.693 177.155 176.300 0.269 0.000 0.968 478 R CA -0.461 55.750 56.100 0.185 0.000 0.924 478 R CB 2.115 32.513 30.300 0.163 0.000 1.162 478 R HN 0.509 nan 8.270 nan 0.000 0.465 479 V N -0.121 119.908 119.914 0.191 0.000 3.635 479 V HA 0.441 4.561 4.120 -0.000 0.000 0.266 479 V C 0.982 177.216 176.094 0.233 0.000 1.316 479 V CA 1.164 63.580 62.300 0.194 0.000 1.060 479 V CB 0.222 32.074 31.823 0.049 0.000 0.820 479 V HN 0.970 nan 8.190 nan 0.000 0.447 480 G N 1.041 109.937 108.800 0.159 0.000 4.655 480 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.220 480 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.220 480 G C 0.109 175.043 174.900 0.057 0.000 1.403 480 G CA 0.759 45.926 45.100 0.112 0.000 0.931 480 G HN 1.051 nan 8.290 nan 0.000 0.654 481 Q N -0.345 119.484 119.800 0.047 0.000 2.590 481 Q HA 0.701 5.041 4.340 -0.000 0.000 0.295 481 Q C -0.195 175.752 176.000 -0.088 0.000 0.973 481 Q CA -0.052 55.747 55.803 -0.006 0.000 0.768 481 Q CB 1.037 29.780 28.738 0.008 0.000 1.479 481 Q HN 0.891 nan 8.270 nan 0.000 0.419 482 S N 0.425 116.053 115.700 -0.119 0.000 2.558 482 S HA 0.385 4.855 4.470 -0.000 0.000 0.291 482 S C -0.620 173.820 174.600 -0.265 0.000 1.306 482 S CA -0.018 58.035 58.200 -0.244 0.000 1.056 482 S CB 0.011 63.126 63.200 -0.141 0.000 0.836 482 S HN 0.419 nan 8.310 nan 0.000 0.504 483 M N 4.320 123.661 119.600 -0.431 0.000 2.602 483 M HA 0.573 5.053 4.480 -0.000 0.000 0.312 483 M C -0.510 175.560 176.300 -0.382 0.000 1.181 483 M CA -0.768 54.246 55.300 -0.476 0.000 0.910 483 M CB 1.389 33.321 32.600 -1.113 0.000 1.723 483 M HN 0.380 nan 8.290 nan 0.000 0.459 484 N N 1.082 119.648 118.700 -0.223 0.000 2.384 484 N HA 0.437 5.177 4.740 -0.000 0.000 0.301 484 N C -1.062 174.402 175.510 -0.077 0.000 1.133 484 N CA -0.620 52.342 53.050 -0.147 0.000 0.853 484 N CB 1.377 39.817 38.487 -0.078 0.000 1.241 484 N HN 0.708 nan 8.380 nan 0.000 0.502 485 M N 1.409 120.963 119.600 -0.076 0.000 2.327 485 M HA 0.084 4.564 4.480 -0.000 0.000 0.353 485 M C 0.939 177.289 176.300 0.083 0.000 1.539 485 M CA 1.079 56.404 55.300 0.042 0.000 1.039 485 M CB -0.989 31.614 32.600 0.005 0.000 1.967 485 M HN 0.934 nan 8.290 nan 0.000 0.459 486 G N 3.056 111.985 108.800 0.214 0.000 2.211 486 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.201 486 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.201 486 G C 0.004 174.795 174.900 -0.183 0.000 0.997 486 G CA 0.275 45.234 45.100 -0.235 0.000 0.652 486 G HN 0.992 nan 8.290 nan 0.000 0.500 487 S N -0.069 115.721 115.700 0.149 0.000 2.689 487 S HA 0.782 5.252 4.470 -0.000 0.000 0.306 487 S C -0.978 173.848 174.600 0.376 0.000 1.104 487 S CA -0.549 57.753 58.200 0.170 0.000 0.973 487 S CB 2.657 65.933 63.200 0.126 0.000 1.121 487 S HN 0.073 nan 8.310 nan 0.000 0.523 488 D N 0.734 121.281 120.400 0.244 0.000 2.229 488 D HA 0.733 5.373 4.640 -0.000 0.000 0.249 488 D C -0.472 175.970 176.300 0.236 0.000 1.027 488 D CA 0.020 54.113 54.000 0.155 0.000 0.923 488 D CB 1.182 42.007 40.800 0.042 0.000 1.174 488 D HN 0.621 nan 8.370 nan 0.000 0.443 489 F N -1.945 118.025 119.950 0.033 0.000 2.744 489 F HA 0.397 4.924 4.527 -0.000 0.000 0.311 489 F C -1.452 174.300 175.800 -0.081 0.000 1.144 489 F CA -1.136 56.852 58.000 -0.019 0.000 0.938 489 F CB 1.221 40.205 39.000 -0.027 0.000 1.292 489 F HN -0.088 nan 8.300 nan 0.000 0.444 490 D N 1.864 122.287 120.400 0.037 0.000 2.198 490 D HA 0.619 5.259 4.640 -0.000 0.000 0.247 490 D C -0.441 175.650 176.300 -0.350 0.000 1.010 490 D CA -0.222 53.619 54.000 -0.265 0.000 0.880 490 D CB 2.554 43.136 40.800 -0.363 0.000 1.209 490 D HN 0.688 nan 8.370 nan 0.000 0.451 491 V N -1.743 117.842 119.914 -0.548 0.000 3.155 491 V HA 0.812 4.932 4.120 -0.000 0.000 0.313 491 V C -1.110 174.512 176.094 -0.786 0.000 1.162 491 V CA -0.838 61.227 62.300 -0.391 0.000 1.048 491 V CB 1.738 33.542 31.823 -0.032 0.000 1.092 491 V HN 0.350 nan 8.190 nan 0.000 0.447 492 F N -0.208 119.792 119.950 0.083 0.000 2.588 492 F HA 0.860 5.387 4.527 -0.000 0.000 0.310 492 F C 0.309 176.165 175.800 0.093 0.000 1.082 492 F CA -0.575 57.476 58.000 0.085 0.000 0.929 492 F CB 2.078 41.143 39.000 0.108 0.000 1.254 492 F HN 0.836 nan 8.300 nan 0.000 0.455 493 A N 1.143 124.111 122.820 0.245 0.000 2.252 493 A HA 0.508 4.828 4.320 -0.000 0.000 0.309 493 A C -1.419 176.282 177.584 0.195 0.000 1.285 493 A CA -0.340 51.802 52.037 0.175 0.000 0.900 493 A CB -0.244 18.819 19.000 0.105 0.000 1.157 493 A HN 0.851 nan 8.150 nan 0.000 0.536 494 H N 2.488 121.626 119.070 0.112 0.000 2.581 494 H HA 0.596 5.152 4.556 -0.000 0.000 0.308 494 H C -0.799 174.561 175.328 0.054 0.000 1.040 494 H CA -0.273 55.823 56.048 0.079 0.000 1.231 494 H CB 0.427 30.227 29.762 0.064 0.000 1.396 494 H HN 0.569 nan 8.280 nan 0.000 0.467 495 I N 4.489 124.921 120.570 -0.231 0.000 2.359 495 I HA 0.236 4.406 4.170 -0.000 0.000 0.294 495 I C -0.115 175.924 176.117 -0.130 0.000 0.987 495 I CA -0.351 60.882 61.300 -0.111 0.000 1.225 495 I CB 1.844 39.797 38.000 -0.078 0.000 1.366 495 I HN 0.550 nan 8.210 nan 0.000 0.466 496 T N 4.391 118.937 114.554 -0.014 0.000 2.786 496 T HA 0.241 4.591 4.350 -0.000 0.000 0.283 496 T C -0.316 174.403 174.700 0.032 0.000 0.992 496 T CA -0.554 61.562 62.100 0.027 0.000 0.954 496 T CB 0.699 69.620 68.868 0.090 0.000 0.934 496 T HN 0.426 nan 8.240 nan 0.000 0.440 497 N N 3.251 121.971 118.700 0.034 0.000 2.707 497 N HA 0.166 4.906 4.740 -0.000 0.000 0.235 497 N C -0.499 175.021 175.510 0.017 0.000 1.028 497 N CA -0.576 52.498 53.050 0.039 0.000 0.906 497 N CB 0.339 38.851 38.487 0.042 0.000 1.131 497 N HN 0.318 nan 8.380 nan 0.000 0.509 498 N N 2.139 120.872 118.700 0.055 0.000 3.331 498 N HA 0.233 4.973 4.740 -0.000 0.000 0.303 498 N C -1.304 174.210 175.510 0.007 0.000 1.326 498 N CA 0.097 53.227 53.050 0.133 0.000 1.207 498 N CB 0.073 38.661 38.487 0.168 0.000 1.477 498 N HN 0.353 nan 8.380 nan 0.000 0.541 499 T N -1.077 113.220 114.554 -0.428 0.000 2.868 499 T HA 0.510 4.860 4.350 -0.000 0.000 0.306 499 T C 0.741 174.636 174.700 -1.341 0.000 1.224 499 T CA -0.407 61.335 62.100 -0.596 0.000 1.012 499 T CB 1.559 70.306 68.868 -0.202 0.000 1.221 499 T HN 0.127 nan 8.240 nan 0.000 0.499 500 A N 0.780 123.072 122.820 -0.881 0.000 2.123 500 A HA 0.273 4.593 4.320 -0.000 0.000 0.214 500 A C 0.713 178.045 177.584 -0.420 0.000 1.152 500 A CA 0.806 52.472 52.037 -0.618 0.000 0.728 500 A CB -0.224 18.723 19.000 -0.088 0.000 0.814 500 A HN 0.727 nan 8.150 nan 0.000 0.464 501 E N 0.806 120.723 120.200 -0.472 0.000 2.349 501 E HA 0.354 4.704 4.350 -0.000 0.000 0.265 501 E C -0.190 176.034 176.600 -0.627 0.000 1.064 501 E CA -0.196 55.888 56.400 -0.527 0.000 0.886 501 E CB 0.615 29.904 29.700 -0.684 0.000 1.036 501 E HN 0.594 nan 8.360 nan 0.000 0.413 502 E N 1.980 121.897 120.200 -0.471 0.000 2.133 502 E HA 0.278 4.628 4.350 -0.000 0.000 0.274 502 E C -0.984 175.432 176.600 -0.307 0.000 0.930 502 E CA -0.611 55.591 56.400 -0.330 0.000 0.770 502 E CB 0.754 30.357 29.700 -0.163 0.000 1.104 502 E HN 0.405 nan 8.360 nan 0.000 0.403 503 Y N 1.489 121.742 120.300 -0.079 0.000 2.403 503 Y HA 0.452 5.002 4.550 -0.000 0.000 0.323 503 Y C -0.036 175.826 175.900 -0.062 0.000 1.226 503 Y CA -1.198 56.858 58.100 -0.073 0.000 1.235 503 Y CB 1.914 40.326 38.460 -0.081 0.000 1.248 503 Y HN 0.299 nan 8.280 nan 0.000 0.489 504 V N 2.433 122.420 119.914 0.122 0.000 2.380 504 V HA 0.348 4.468 4.120 -0.000 0.000 0.286 504 V C -0.682 175.415 176.094 0.006 0.000 1.015 504 V CA -0.773 61.551 62.300 0.040 0.000 0.834 504 V CB 0.450 32.282 31.823 0.016 0.000 1.009 504 V HN 0.908 nan 8.190 nan 0.000 0.428 505 C N 4.073 123.364 119.300 -0.015 0.000 2.967 505 C HA 0.854 5.314 4.460 -0.000 0.000 0.372 505 C C -0.026 174.932 174.990 -0.053 0.000 1.455 505 C CA -1.159 57.822 59.018 -0.061 0.000 1.638 505 C CB 2.133 29.818 27.740 -0.093 0.000 2.096 505 C HN 0.955 nan 8.230 nan 0.000 0.466 506 R N 0.442 120.896 120.500 -0.076 0.000 2.599 506 R HA 0.838 5.178 4.340 -0.000 0.000 0.295 506 R C -1.786 174.488 176.300 -0.043 0.000 0.963 506 R CA -0.523 55.544 56.100 -0.056 0.000 0.883 506 R CB 1.257 31.508 30.300 -0.082 0.000 1.171 506 R HN 0.566 nan 8.270 nan 0.000 0.450 507 L N 3.581 124.807 121.223 0.004 0.000 2.343 507 L HA 0.418 4.758 4.340 -0.000 0.000 0.278 507 L C -1.615 175.321 176.870 0.111 0.000 0.996 507 L CA -0.888 53.975 54.840 0.038 0.000 0.831 507 L CB 1.863 43.944 42.059 0.037 0.000 1.232 507 L HN 0.580 nan 8.230 nan 0.000 0.413 508 L N 6.446 127.750 121.223 0.136 0.000 2.294 508 L HA 0.482 4.822 4.340 -0.000 0.000 0.283 508 L C -0.655 176.394 176.870 0.299 0.000 1.015 508 L CA -0.516 54.509 54.840 0.308 0.000 0.831 508 L CB 1.084 43.251 42.059 0.179 0.000 1.217 508 L HN 0.491 nan 8.230 nan 0.000 0.420 509 L N 3.612 125.007 121.223 0.287 0.000 2.307 509 L HA 0.604 4.944 4.340 -0.000 0.000 0.284 509 L C -0.179 176.762 176.870 0.118 0.000 1.023 509 L CA -0.104 54.820 54.840 0.140 0.000 0.810 509 L CB 1.685 43.767 42.059 0.038 0.000 1.231 509 L HN 0.742 nan 8.230 nan 0.000 0.423 510 C N 3.551 122.914 119.300 0.106 0.000 2.701 510 C HA 0.923 5.383 4.460 -0.000 0.000 0.336 510 C C -0.624 174.385 174.990 0.032 0.000 1.123 510 C CA -0.445 58.618 59.018 0.075 0.000 1.326 510 C CB 0.658 28.490 27.740 0.153 0.000 1.833 510 C HN 0.980 nan 8.230 nan 0.000 0.473 511 A N 5.963 128.781 122.820 -0.004 0.000 2.355 511 A HA 0.988 5.308 4.320 -0.000 0.000 0.317 511 A C -0.762 176.819 177.584 -0.004 0.000 1.094 511 A CA -0.585 51.449 52.037 -0.006 0.000 0.764 511 A CB 0.965 19.945 19.000 -0.034 0.000 1.230 511 A HN 0.929 nan 8.150 nan 0.000 0.448 512 R N 0.668 121.170 120.500 0.004 0.000 2.698 512 R HA 0.569 4.909 4.340 -0.000 0.000 0.275 512 R C -0.523 175.782 176.300 0.009 0.000 1.001 512 R CA -0.651 55.452 56.100 0.004 0.000 0.896 512 R CB 1.925 32.225 30.300 0.000 0.000 1.218 512 R HN 0.813 nan 8.270 nan 0.000 0.462 513 T N -0.957 113.606 114.554 0.015 0.000 2.900 513 T HA 0.440 4.790 4.350 -0.000 0.000 0.307 513 T C 0.398 175.106 174.700 0.013 0.000 1.065 513 T CA -0.536 61.575 62.100 0.019 0.000 1.105 513 T CB 0.748 69.639 68.868 0.038 0.000 0.979 513 T HN 0.322 nan 8.240 nan 0.000 0.544 514 V N -0.384 119.543 119.914 0.021 0.000 3.012 514 V HA 0.683 4.803 4.120 -0.000 0.000 0.307 514 V C 0.175 176.285 176.094 0.027 0.000 1.166 514 V CA -1.267 61.037 62.300 0.007 0.000 0.974 514 V CB 1.527 33.352 31.823 0.003 0.000 1.040 514 V HN 1.239 nan 8.190 nan 0.000 0.428 515 S N 1.582 117.279 115.700 -0.006 0.000 2.645 515 S HA 0.376 4.846 4.470 -0.000 0.000 0.266 515 S C 0.825 175.409 174.600 -0.025 0.000 1.258 515 S CA 0.214 58.431 58.200 0.028 0.000 0.990 515 S CB 0.495 63.685 63.200 -0.017 0.000 0.967 515 S HN 1.363 nan 8.310 nan 0.000 0.556 516 Y N 1.122 121.363 120.300 -0.098 0.000 2.352 516 Y HA -0.028 4.522 4.550 -0.000 0.000 0.292 516 Y C 1.473 177.122 175.900 -0.419 0.000 1.136 516 Y CA 1.301 59.251 58.100 -0.251 0.000 1.227 516 Y CB -0.605 37.607 38.460 -0.412 0.000 0.991 516 Y HN 0.698 nan 8.280 nan 0.000 0.545 517 N N 0.249 118.175 118.700 -1.289 0.000 2.370 517 N HA 0.175 4.915 4.740 -0.000 0.000 0.198 517 N C 1.335 176.161 175.510 -1.140 0.000 1.156 517 N CA 0.748 52.705 53.050 -1.823 0.000 0.839 517 N CB 0.297 37.281 38.487 -2.504 0.000 0.989 517 N HN 0.661 nan 8.380 nan 0.000 0.468 518 G N 0.415 108.884 108.800 -0.551 0.000 2.213 518 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.226 518 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.226 518 G C -0.092 174.689 174.900 -0.199 0.000 0.992 518 G CA -0.104 44.820 45.100 -0.293 0.000 0.632 518 G HN 0.353 nan 8.290 nan 0.000 0.511 519 I N 2.783 123.223 120.570 -0.216 0.000 2.576 519 I HA 0.221 4.391 4.170 -0.000 0.000 0.288 519 I C 0.943 177.015 176.117 -0.076 0.000 1.126 519 I CA -0.055 61.169 61.300 -0.127 0.000 1.362 519 I CB 0.333 38.268 38.000 -0.108 0.000 1.419 519 I HN 0.051 nan 8.210 nan 0.000 0.533 520 L N 6.571 127.758 121.223 -0.060 0.000 2.367 520 L HA 0.343 4.683 4.340 -0.000 0.000 0.275 520 L C 1.098 177.952 176.870 -0.027 0.000 1.129 520 L CA -0.077 54.740 54.840 -0.038 0.000 0.839 520 L CB 0.522 42.559 42.059 -0.037 0.000 1.133 520 L HN 0.679 nan 8.230 nan 0.000 0.453 521 G N 3.243 112.033 108.800 -0.016 0.000 2.568 521 G HA2 0.559 4.519 3.960 -0.000 0.000 0.293 521 G HA3 0.559 4.519 3.960 -0.000 0.000 0.293 521 G C -2.615 172.277 174.900 -0.014 0.000 1.347 521 G CA -1.069 44.024 45.100 -0.013 0.000 1.039 521 G HN 0.396 nan 8.290 nan 0.000 0.523 522 P HA 0.177 nan 4.420 nan 0.000 0.271 522 P C -0.255 177.035 177.300 -0.016 0.000 1.218 522 P CA -0.207 62.881 63.100 -0.021 0.000 0.780 522 P CB 0.841 32.525 31.700 -0.026 0.000 0.901 523 E N 1.193 121.380 120.200 -0.021 0.000 2.437 523 E HA 0.028 4.378 4.350 -0.000 0.000 0.263 523 E C 0.090 176.675 176.600 -0.025 0.000 1.030 523 E CA -0.313 56.075 56.400 -0.021 0.000 0.934 523 E CB -0.418 29.267 29.700 -0.024 0.000 0.943 523 E HN 0.559 nan 8.360 nan 0.000 0.444 524 C N 1.223 120.509 119.300 -0.023 0.000 3.144 524 C HA 0.847 5.307 4.460 -0.000 0.000 0.253 524 C C 0.352 175.310 174.990 -0.052 0.000 2.010 524 C CA -0.091 58.914 59.018 -0.022 0.000 1.698 524 C CB -0.949 26.816 27.740 0.041 0.000 3.346 524 C HN 0.987 nan 8.230 nan 0.000 0.449 525 G N 1.062 109.817 108.800 -0.075 0.000 2.146 525 G HA2 0.509 4.469 3.960 -0.000 0.000 0.261 525 G HA3 0.509 4.469 3.960 -0.000 0.000 0.261 525 G C -0.915 173.909 174.900 -0.128 0.000 1.745 525 G CA 0.335 45.367 45.100 -0.112 0.000 0.905 525 G HN 1.232 nan 8.290 nan 0.000 0.746 526 T N -1.413 113.026 114.554 -0.192 0.000 2.900 526 T HA 0.848 5.198 4.350 -0.000 0.000 0.303 526 T C -0.834 173.605 174.700 -0.435 0.000 1.142 526 T CA -1.002 60.903 62.100 -0.325 0.000 1.007 526 T CB 2.849 71.461 68.868 -0.427 0.000 1.156 526 T HN 0.933 nan 8.240 nan 0.000 0.490 527 K N 1.081 121.145 120.400 -0.561 0.000 2.561 527 K HA 0.506 4.826 4.320 -0.000 0.000 0.254 527 K C -2.246 174.172 176.600 -0.304 0.000 0.942 527 K CA -0.768 55.288 56.287 -0.385 0.000 0.818 527 K CB 1.711 34.113 32.500 -0.163 0.000 1.306 527 K HN 0.835 nan 8.250 nan 0.000 0.435 528 Y N 4.803 125.139 120.300 0.061 0.000 2.327 528 Y HA 0.383 4.933 4.550 -0.000 0.000 0.325 528 Y C -0.645 175.272 175.900 0.029 0.000 0.999 528 Y CA -1.147 56.991 58.100 0.065 0.000 1.195 528 Y CB 1.499 40.031 38.460 0.120 0.000 1.132 528 Y HN 0.186 nan 8.280 nan 0.000 0.455 529 L N 4.857 126.170 121.223 0.150 0.000 2.282 529 L HA 0.382 4.722 4.340 -0.000 0.000 0.288 529 L C 0.389 177.288 176.870 0.049 0.000 1.033 529 L CA -0.393 54.493 54.840 0.077 0.000 0.807 529 L CB 1.650 43.739 42.059 0.049 0.000 1.209 529 L HN 0.779 nan 8.230 nan 0.000 0.423 530 L N 2.464 123.706 121.223 0.032 0.000 2.590 530 L HA 0.213 4.553 4.340 -0.000 0.000 0.227 530 L C 0.620 177.485 176.870 -0.008 0.000 1.099 530 L CA 0.321 55.161 54.840 -0.000 0.000 0.872 530 L CB 0.041 42.097 42.059 -0.004 0.000 1.088 530 L HN 0.618 nan 8.230 nan 0.000 0.479 531 N N 0.650 119.351 118.700 0.002 0.000 2.642 531 N HA 0.223 4.963 4.740 -0.000 0.000 0.308 531 N C -0.695 174.816 175.510 0.003 0.000 1.914 531 N CA -0.081 52.968 53.050 -0.001 0.000 0.893 531 N CB 1.406 39.894 38.487 0.000 0.000 1.322 531 N HN 0.123 nan 8.380 nan 0.000 0.490 532 L N 1.927 123.151 121.223 0.002 0.000 2.500 532 L HA 0.122 4.462 4.340 -0.000 0.000 0.272 532 L C -0.020 176.855 176.870 0.007 0.000 1.149 532 L CA 0.613 55.456 54.840 0.005 0.000 0.897 532 L CB 0.158 42.218 42.059 0.002 0.000 1.178 532 L HN 0.098 nan 8.230 nan 0.000 0.473 533 T N 5.774 120.333 114.554 0.008 0.000 2.728 533 T HA 0.408 4.758 4.350 -0.000 0.000 0.296 533 T C 0.028 174.734 174.700 0.011 0.000 0.940 533 T CA -0.471 61.635 62.100 0.010 0.000 1.013 533 T CB 0.728 69.597 68.868 0.002 0.000 0.912 533 T HN 0.363 nan 8.240 nan 0.000 0.484 534 L N 3.818 125.058 121.223 0.028 0.000 2.262 534 L HA 0.367 4.707 4.340 -0.000 0.000 0.288 534 L C 0.605 177.478 176.870 0.005 0.000 1.035 534 L CA -0.942 53.915 54.840 0.028 0.000 0.820 534 L CB 0.841 42.943 42.059 0.072 0.000 1.204 534 L HN 0.519 nan 8.230 nan 0.000 0.424 535 E N 4.814 125.006 120.200 -0.014 0.000 2.373 535 E HA 0.231 4.581 4.350 -0.000 0.000 0.263 535 E C -2.264 174.296 176.600 -0.066 0.000 1.073 535 E CA -1.789 54.589 56.400 -0.037 0.000 0.894 535 E CB 0.371 30.062 29.700 -0.015 0.000 1.008 535 E HN 0.284 nan 8.360 nan 0.000 0.420 536 P HA -0.031 nan 4.420 nan 0.000 0.268 536 P C -0.247 176.993 177.300 -0.100 0.000 1.205 536 P CA 0.017 62.973 63.100 -0.239 0.000 0.771 536 P CB 0.096 31.641 31.700 -0.258 0.000 0.858 537 F N -1.007 118.940 119.950 -0.004 0.000 2.943 537 F HA -0.232 4.295 4.527 -0.000 0.000 0.258 537 F C 0.294 176.099 175.800 0.008 0.000 0.995 537 F CA 0.618 58.622 58.000 0.005 0.000 0.896 537 F CB -2.014 36.986 39.000 -0.001 0.000 0.821 537 F HN 0.213 nan 8.300 nan 0.000 0.828 538 S N -1.162 114.598 115.700 0.101 0.000 2.685 538 S HA 0.693 5.163 4.470 -0.000 0.000 0.282 538 S C -0.601 174.019 174.600 0.034 0.000 1.159 538 S CA -1.244 56.996 58.200 0.068 0.000 0.833 538 S CB 2.831 66.052 63.200 0.035 0.000 1.151 538 S HN 0.244 nan 8.310 nan 0.000 0.485 539 E N 0.543 120.749 120.200 0.010 0.000 2.288 539 E HA 0.566 4.916 4.350 -0.000 0.000 0.268 539 E C -1.161 175.364 176.600 -0.125 0.000 0.885 539 E CA -0.770 55.592 56.400 -0.064 0.000 0.767 539 E CB 2.420 32.121 29.700 0.002 0.000 1.220 539 E HN 0.314 nan 8.360 nan 0.000 0.427 540 K N 0.824 121.083 120.400 -0.235 0.000 2.422 540 K HA 0.435 4.755 4.320 -0.000 0.000 0.251 540 K C -1.481 174.957 176.600 -0.271 0.000 0.933 540 K CA -0.530 55.654 56.287 -0.172 0.000 0.798 540 K CB 2.102 34.552 32.500 -0.083 0.000 1.238 540 K HN 0.359 nan 8.250 nan 0.000 0.428 541 S N 2.706 118.336 115.700 -0.117 0.000 2.596 541 S HA 0.443 4.913 4.470 -0.000 0.000 0.318 541 S C -1.334 173.342 174.600 0.126 0.000 1.097 541 S CA -0.606 57.596 58.200 0.004 0.000 1.080 541 S CB 0.995 64.224 63.200 0.048 0.000 0.991 541 S HN 0.307 nan 8.310 nan 0.000 0.471 542 V N 8.261 128.275 119.914 0.167 0.000 2.357 542 V HA 0.523 4.643 4.120 -0.000 0.000 0.284 542 V C -2.056 174.155 176.094 0.195 0.000 1.018 542 V CA -1.847 60.544 62.300 0.153 0.000 0.841 542 V CB 1.436 33.306 31.823 0.078 0.000 0.991 542 V HN 0.717 nan 8.190 nan 0.000 0.437 543 P HA 0.382 nan 4.420 nan 0.000 0.278 543 P C -1.098 176.118 177.300 -0.139 0.000 1.238 543 P CA -0.514 62.542 63.100 -0.074 0.000 0.794 543 P CB 2.052 33.754 31.700 0.004 0.000 0.955 544 L N 3.890 124.958 121.223 -0.258 0.000 2.404 544 L HA 0.395 4.735 4.340 -0.000 0.000 0.272 544 L C -1.017 175.699 176.870 -0.255 0.000 0.980 544 L CA -0.815 53.907 54.840 -0.198 0.000 0.836 544 L CB 1.085 43.051 42.059 -0.154 0.000 1.238 544 L HN 0.436 nan 8.230 nan 0.000 0.408 545 C N 6.778 125.949 119.300 -0.215 0.000 2.482 545 C HA 0.553 5.013 4.460 -0.000 0.000 0.378 545 C C 0.250 175.075 174.990 -0.277 0.000 1.284 545 C CA -0.617 58.260 59.018 -0.236 0.000 1.826 545 C CB -1.272 26.373 27.740 -0.159 0.000 2.473 545 C HN 0.722 nan 8.230 nan 0.000 0.562 546 I N 7.753 128.054 120.570 -0.449 0.000 2.330 546 I HA 0.343 4.513 4.170 -0.000 0.000 0.289 546 I C -0.244 175.643 176.117 -0.383 0.000 1.001 546 I CA -0.136 60.874 61.300 -0.483 0.000 1.193 546 I CB 0.962 38.472 38.000 -0.817 0.000 1.345 546 I HN 0.488 nan 8.210 nan 0.000 0.461 547 L N 5.751 126.884 121.223 -0.149 0.000 2.322 547 L HA 0.276 4.616 4.340 -0.000 0.000 0.279 547 L C 0.818 177.560 176.870 -0.212 0.000 1.036 547 L CA -0.597 54.184 54.840 -0.098 0.000 0.807 547 L CB 1.319 43.311 42.059 -0.112 0.000 1.226 547 L HN 0.531 nan 8.230 nan 0.000 0.433 548 Y N 1.509 121.558 120.300 -0.417 0.000 2.114 548 Y HA -0.270 4.280 4.550 -0.000 0.000 0.282 548 Y C 2.194 177.667 175.900 -0.712 0.000 1.165 548 Y CA 1.865 59.385 58.100 -0.965 0.000 1.148 548 Y CB 0.169 38.392 38.460 -0.396 0.000 0.972 548 Y HN 0.625 nan 8.280 nan 0.000 0.504 549 E N 0.370 120.302 120.200 -0.447 0.000 2.171 549 E HA -0.186 4.164 4.350 -0.000 0.000 0.197 549 E C 1.885 178.252 176.600 -0.388 0.000 0.997 549 E CA 1.273 57.432 56.400 -0.401 0.000 0.810 549 E CB -0.116 29.479 29.700 -0.176 0.000 0.738 549 E HN 0.460 nan 8.360 nan 0.000 0.467 550 K N -0.065 120.133 120.400 -0.337 0.000 2.305 550 K HA -0.057 4.263 4.320 -0.000 0.000 0.199 550 K C 1.855 178.359 176.600 -0.160 0.000 1.047 550 K CA 0.604 56.767 56.287 -0.208 0.000 0.976 550 K CB -0.111 32.318 32.500 -0.119 0.000 0.765 550 K HN 0.365 nan 8.250 nan 0.000 0.474 551 Y N -0.432 119.762 120.300 -0.177 0.000 2.445 551 Y HA 0.287 4.837 4.550 -0.000 0.000 0.247 551 Y C 1.674 177.473 175.900 -0.168 0.000 1.129 551 Y CA -0.690 57.332 58.100 -0.129 0.000 1.251 551 Y CB -0.341 38.085 38.460 -0.057 0.000 1.176 551 Y HN -0.082 nan 8.280 nan 0.000 0.522 552 R N 0.580 120.763 120.500 -0.527 0.000 2.096 552 R HA -0.135 4.205 4.340 -0.000 0.000 0.235 552 R C 0.702 176.897 176.300 -0.175 0.000 1.127 552 R CA 1.934 57.764 56.100 -0.450 0.000 0.968 552 R CB -0.629 29.058 30.300 -1.023 0.000 0.861 552 R HN 0.201 nan 8.270 nan 0.000 0.440 553 D N 0.897 121.200 120.400 -0.162 0.000 2.097 553 D HA -0.080 4.560 4.640 -0.000 0.000 0.197 553 D C 1.497 177.776 176.300 -0.034 0.000 0.984 553 D CA 1.379 55.326 54.000 -0.089 0.000 0.826 553 D CB -0.137 40.609 40.800 -0.090 0.000 0.973 553 D HN 0.354 nan 8.370 nan 0.000 0.460 554 C N 0.240 119.534 119.300 -0.010 0.000 2.906 554 C HA 0.332 4.792 4.460 -0.000 0.000 0.274 554 C C 0.895 175.911 174.990 0.045 0.000 1.257 554 C CA -1.003 58.022 59.018 0.012 0.000 1.695 554 C CB -0.761 26.981 27.740 0.003 0.000 1.958 554 C HN 0.168 nan 8.230 nan 0.000 0.619 555 L N 2.912 124.183 121.223 0.080 0.000 2.490 555 L HA 0.239 4.579 4.340 -0.000 0.000 0.274 555 L C 1.047 177.972 176.870 0.092 0.000 1.201 555 L CA 1.010 55.908 54.840 0.097 0.000 0.869 555 L CB 0.602 42.755 42.059 0.156 0.000 1.123 555 L HN 0.421 nan 8.230 nan 0.000 0.484 556 T N 0.207 114.819 114.554 0.097 0.000 2.824 556 T HA 0.259 4.609 4.350 -0.000 0.000 0.277 556 T C 0.807 175.585 174.700 0.130 0.000 0.975 556 T CA -0.372 61.806 62.100 0.129 0.000 0.966 556 T CB 0.658 69.623 68.868 0.161 0.000 1.054 556 T HN 0.707 nan 8.240 nan 0.000 0.533 557 E N -0.013 120.277 120.200 0.151 0.000 2.515 557 E HA -0.008 4.342 4.350 -0.000 0.000 0.201 557 E C 1.666 178.343 176.600 0.128 0.000 1.071 557 E CA 0.344 56.819 56.400 0.126 0.000 0.880 557 E CB -0.099 29.672 29.700 0.119 0.000 0.828 557 E HN 0.527 nan 8.360 nan 0.000 0.540 558 S N 0.644 116.439 115.700 0.158 0.000 2.558 558 S HA -0.006 4.464 4.470 -0.000 0.000 0.217 558 S C 0.091 174.823 174.600 0.219 0.000 0.975 558 S CA -0.150 58.174 58.200 0.206 0.000 0.912 558 S CB 0.088 63.440 63.200 0.253 0.000 0.776 558 S HN 0.308 nan 8.310 nan 0.000 0.526 559 N N 1.255 120.003 118.700 0.081 0.000 2.725 559 N HA -0.147 4.593 4.740 -0.000 0.000 0.251 559 N C -1.093 174.379 175.510 -0.063 0.000 1.031 559 N CA 0.587 53.587 53.050 -0.084 0.000 0.720 559 N CB -1.789 36.472 38.487 -0.377 0.000 0.930 559 N HN 0.425 nan 8.380 nan 0.000 0.543 560 L N -0.052 121.204 121.223 0.056 0.000 2.334 560 L HA 0.651 4.991 4.340 -0.000 0.000 0.276 560 L C 0.484 177.368 176.870 0.023 0.000 1.014 560 L CA -0.665 54.225 54.840 0.083 0.000 0.815 560 L CB 1.627 43.787 42.059 0.169 0.000 1.268 560 L HN 0.022 nan 8.230 nan 0.000 0.428 561 I N 2.545 123.123 120.570 0.013 0.000 2.582 561 I HA 0.346 4.516 4.170 -0.000 0.000 0.292 561 I C -0.600 175.537 176.117 0.034 0.000 1.066 561 I CA -0.679 60.624 61.300 0.004 0.000 1.053 561 I CB 2.606 40.591 38.000 -0.025 0.000 1.241 561 I HN 0.538 nan 8.210 nan 0.000 0.421 562 K N 5.953 126.371 120.400 0.030 0.000 2.339 562 K HA 0.577 4.897 4.320 -0.000 0.000 0.264 562 K C -1.423 175.197 176.600 0.034 0.000 0.986 562 K CA -0.460 55.849 56.287 0.037 0.000 0.866 562 K CB 1.537 34.054 32.500 0.028 0.000 1.103 562 K HN 0.391 nan 8.250 nan 0.000 0.441 563 V N 4.789 124.729 119.914 0.043 0.000 2.509 563 V HA 0.414 4.534 4.120 -0.000 0.000 0.284 563 V C 0.112 176.236 176.094 0.049 0.000 1.047 563 V CA -0.564 61.761 62.300 0.042 0.000 0.952 563 V CB 1.254 33.105 31.823 0.048 0.000 0.988 563 V HN 0.768 nan 8.190 nan 0.000 0.469 564 R N 2.903 123.435 120.500 0.054 0.000 2.686 564 R HA 0.814 5.154 4.340 -0.000 0.000 0.283 564 R C -1.215 175.136 176.300 0.084 0.000 0.978 564 R CA -0.472 55.668 56.100 0.065 0.000 0.897 564 R CB 2.051 32.390 30.300 0.065 0.000 1.192 564 R HN 0.820 nan 8.270 nan 0.000 0.457 565 A N 4.012 126.883 122.820 0.085 0.000 2.427 565 A HA 0.551 4.871 4.320 -0.000 0.000 0.298 565 A C -2.023 175.614 177.584 0.088 0.000 1.036 565 A CA -0.604 51.488 52.037 0.092 0.000 0.701 565 A CB 1.676 20.724 19.000 0.080 0.000 1.250 565 A HN 0.523 nan 8.150 nan 0.000 0.412 566 L N 2.666 123.948 121.223 0.098 0.000 2.376 566 L HA 0.794 5.134 4.340 -0.000 0.000 0.275 566 L C -1.527 175.376 176.870 0.055 0.000 0.987 566 L CA -0.602 54.293 54.840 0.091 0.000 0.828 566 L CB 1.627 43.759 42.059 0.121 0.000 1.249 566 L HN 0.713 nan 8.230 nan 0.000 0.409 567 L N 6.375 127.610 121.223 0.020 0.000 2.325 567 L HA 0.799 5.139 4.340 -0.000 0.000 0.281 567 L C -1.304 175.496 176.870 -0.118 0.000 1.004 567 L CA -0.425 54.390 54.840 -0.041 0.000 0.823 567 L CB 1.828 43.857 42.059 -0.049 0.000 1.236 567 L HN 0.484 nan 8.230 nan 0.000 0.415 568 V N 4.344 124.146 119.914 -0.187 0.000 2.540 568 V HA 0.725 4.845 4.120 -0.000 0.000 0.302 568 V C -0.977 174.914 176.094 -0.337 0.000 1.035 568 V CA -0.382 61.685 62.300 -0.388 0.000 0.873 568 V CB 1.892 33.382 31.823 -0.555 0.000 0.992 568 V HN 0.946 nan 8.190 nan 0.000 0.428 569 E N 9.159 129.127 120.200 -0.387 0.000 2.073 569 E HA 0.528 4.878 4.350 -0.000 0.000 0.269 569 E C -2.032 174.402 176.600 -0.277 0.000 0.917 569 E CA -2.094 54.130 56.400 -0.293 0.000 0.757 569 E CB 1.831 31.314 29.700 -0.361 0.000 1.111 569 E HN 0.492 nan 8.360 nan 0.000 0.410 570 P HA -0.197 nan 4.420 nan 0.000 0.218 570 P C 1.139 178.374 177.300 -0.108 0.000 1.148 570 P CA 0.701 63.706 63.100 -0.160 0.000 0.822 570 P CB 0.292 31.927 31.700 -0.109 0.000 0.784 571 V N 1.175 121.046 119.914 -0.072 0.000 2.214 571 V HA -0.236 3.884 4.120 -0.000 0.000 0.244 571 V C 2.689 178.758 176.094 -0.041 0.000 1.045 571 V CA 2.088 64.368 62.300 -0.033 0.000 0.993 571 V CB -1.119 30.710 31.823 0.010 0.000 0.633 571 V HN -0.019 nan 8.190 nan 0.000 0.449 572 I N 0.077 120.617 120.570 -0.050 0.000 3.111 572 I HA -0.002 4.168 4.170 -0.000 0.000 0.272 572 I C 1.026 177.092 176.117 -0.086 0.000 1.268 572 I CA 0.714 61.986 61.300 -0.046 0.000 1.467 572 I CB -0.594 37.381 38.000 -0.041 0.000 1.087 572 I HN 0.577 nan 8.210 nan 0.000 0.467 573 N N 1.237 119.843 118.700 -0.158 0.000 2.746 573 N HA -0.203 4.537 4.740 -0.000 0.000 0.250 573 N C -0.235 175.105 175.510 -0.285 0.000 1.055 573 N CA 0.658 53.559 53.050 -0.249 0.000 0.699 573 N CB -0.916 37.462 38.487 -0.182 0.000 0.919 573 N HN 0.315 nan 8.380 nan 0.000 0.548 574 S N 0.772 116.263 115.700 -0.348 0.000 2.525 574 S HA 0.626 5.096 4.470 -0.000 0.000 0.290 574 S C -1.019 173.307 174.600 -0.456 0.000 1.152 574 S CA -0.452 57.597 58.200 -0.253 0.000 1.072 574 S CB 0.444 63.529 63.200 -0.192 0.000 1.027 574 S HN 0.273 nan 8.310 nan 0.000 0.500 575 Y N 3.604 123.860 120.300 -0.073 0.000 2.328 575 Y HA 0.556 5.106 4.550 -0.000 0.000 0.333 575 Y C -0.357 175.512 175.900 -0.050 0.000 0.958 575 Y CA -0.850 57.217 58.100 -0.055 0.000 1.167 575 Y CB 1.336 39.785 38.460 -0.017 0.000 1.151 575 Y HN 0.465 nan 8.280 nan 0.000 0.470 576 L N 5.165 126.415 121.223 0.046 0.000 2.287 576 L HA 0.532 4.872 4.340 -0.000 0.000 0.287 576 L C -1.243 175.658 176.870 0.050 0.000 1.022 576 L CA -0.661 54.193 54.840 0.023 0.000 0.814 576 L CB 0.947 42.989 42.059 -0.029 0.000 1.217 576 L HN 0.640 nan 8.230 nan 0.000 0.420 577 L N 4.485 125.738 121.223 0.049 0.000 2.346 577 L HA 0.912 5.252 4.340 -0.000 0.000 0.276 577 L C -0.884 176.013 176.870 0.045 0.000 1.006 577 L CA -0.540 54.332 54.840 0.053 0.000 0.817 577 L CB 1.809 43.894 42.059 0.044 0.000 1.272 577 L HN 0.783 nan 8.230 nan 0.000 0.421 578 A N 4.317 127.169 122.820 0.053 0.000 2.488 578 A HA 0.738 5.058 4.320 -0.000 0.000 0.298 578 A C -1.328 176.291 177.584 0.058 0.000 1.044 578 A CA -0.545 51.525 52.037 0.055 0.000 0.693 578 A CB 1.807 20.845 19.000 0.062 0.000 1.272 578 A HN 0.768 nan 8.150 nan 0.000 0.402 579 E N 0.466 120.699 120.200 0.055 0.000 2.393 579 E HA 0.712 5.062 4.350 -0.000 0.000 0.273 579 E C -0.964 175.673 176.600 0.061 0.000 0.918 579 E CA -0.919 55.514 56.400 0.055 0.000 0.773 579 E CB 2.987 32.712 29.700 0.042 0.000 1.275 579 E HN 0.597 nan 8.360 nan 0.000 0.451 580 R N 1.275 121.814 120.500 0.064 0.000 2.594 580 R HA 0.201 4.541 4.340 -0.000 0.000 0.265 580 R C -1.814 174.530 176.300 0.074 0.000 1.070 580 R CA -0.551 55.591 56.100 0.071 0.000 0.909 580 R CB 1.483 31.826 30.300 0.071 0.000 1.243 580 R HN 0.499 nan 8.270 nan 0.000 0.455 581 D N 4.382 124.836 120.400 0.090 0.000 2.373 581 D HA 0.225 4.865 4.640 -0.000 0.000 0.227 581 D C -0.328 176.035 176.300 0.105 0.000 1.091 581 D CA -0.421 53.642 54.000 0.104 0.000 0.840 581 D CB 1.554 42.440 40.800 0.144 0.000 1.060 581 D HN 0.142 nan 8.370 nan 0.000 0.502 582 L N 2.380 123.647 121.223 0.073 0.000 2.395 582 L HA 0.211 4.551 4.340 -0.000 0.000 0.269 582 L C -0.310 176.596 176.870 0.060 0.000 1.133 582 L CA -0.485 54.371 54.840 0.026 0.000 0.812 582 L CB 0.218 42.264 42.059 -0.021 0.000 1.125 582 L HN 0.313 nan 8.230 nan 0.000 0.452 583 Y N 3.396 123.622 120.300 -0.124 0.000 2.328 583 Y HA 0.533 5.083 4.550 -0.000 0.000 0.333 583 Y C -0.810 174.946 175.900 -0.241 0.000 0.958 583 Y CA -0.880 57.169 58.100 -0.086 0.000 1.167 583 Y CB 0.906 39.411 38.460 0.074 0.000 1.151 583 Y HN 0.384 nan 8.280 nan 0.000 0.470 584 L N 5.570 126.341 121.223 -0.753 0.000 2.319 584 L HA 0.281 4.621 4.340 -0.000 0.000 0.280 584 L C 0.078 176.458 176.870 -0.817 0.000 1.099 584 L CA -0.494 53.943 54.840 -0.671 0.000 0.828 584 L CB 0.947 42.729 42.059 -0.462 0.000 1.150 584 L HN 0.641 nan 8.230 nan 0.000 0.442 585 E N 2.917 122.858 120.200 -0.432 0.000 2.338 585 E HA 0.103 4.453 4.350 -0.000 0.000 0.272 585 E C -0.421 176.119 176.600 -0.100 0.000 1.029 585 E CA -0.203 56.109 56.400 -0.146 0.000 0.872 585 E CB 0.634 30.326 29.700 -0.013 0.000 1.015 585 E HN 0.379 nan 8.360 nan 0.000 0.417 586 N N 4.028 122.729 118.700 0.001 0.000 2.493 586 N HA 0.330 5.070 4.740 -0.000 0.000 0.275 586 N C -2.350 173.168 175.510 0.013 0.000 1.186 586 N CA -1.381 51.674 53.050 0.008 0.000 0.978 586 N CB 0.466 38.988 38.487 0.058 0.000 1.184 586 N HN 0.427 nan 8.380 nan 0.000 0.487 587 P HA 0.055 nan 4.420 nan 0.000 0.272 587 P C -0.354 176.937 177.300 -0.015 0.000 1.223 587 P CA -0.094 62.986 63.100 -0.034 0.000 0.784 587 P CB 0.969 32.620 31.700 -0.081 0.000 0.923 588 E N 1.419 121.613 120.200 -0.011 0.000 2.366 588 E HA 0.223 4.573 4.350 -0.000 0.000 0.266 588 E C -0.529 176.067 176.600 -0.008 0.000 1.051 588 E CA -0.527 55.874 56.400 0.000 0.000 0.884 588 E CB 0.386 30.082 29.700 -0.007 0.000 1.006 588 E HN 0.353 nan 8.360 nan 0.000 0.417 589 I N 5.000 125.579 120.570 0.014 0.000 2.307 589 I HA 0.143 4.313 4.170 -0.000 0.000 0.289 589 I C -0.090 176.020 176.117 -0.012 0.000 1.021 589 I CA -0.839 60.481 61.300 0.034 0.000 1.224 589 I CB 0.916 38.985 38.000 0.116 0.000 1.376 589 I HN 0.270 nan 8.210 nan 0.000 0.470 590 K N 7.765 128.146 120.400 -0.031 0.000 2.350 590 K HA 0.437 4.757 4.320 -0.000 0.000 0.279 590 K C -0.448 176.110 176.600 -0.070 0.000 1.027 590 K CA -0.004 56.250 56.287 -0.055 0.000 0.969 590 K CB 1.224 33.692 32.500 -0.053 0.000 0.954 590 K HN 0.543 nan 8.250 nan 0.000 0.474 591 I N 3.517 124.041 120.570 -0.077 0.000 2.476 591 I HA 0.250 4.420 4.170 -0.000 0.000 0.281 591 I C -0.095 175.982 176.117 -0.067 0.000 1.040 591 I CA -0.594 60.660 61.300 -0.077 0.000 1.094 591 I CB 1.446 39.402 38.000 -0.074 0.000 1.219 591 I HN 0.265 nan 8.210 nan 0.000 0.450 592 R N 5.737 126.199 120.500 -0.063 0.000 2.368 592 R HA 0.584 4.924 4.340 -0.000 0.000 0.302 592 R C -0.734 175.542 176.300 -0.039 0.000 1.002 592 R CA -0.745 55.326 56.100 -0.048 0.000 0.929 592 R CB 1.782 32.054 30.300 -0.046 0.000 1.073 592 R HN 0.408 nan 8.270 nan 0.000 0.464 593 I N 5.625 126.179 120.570 -0.027 0.000 2.330 593 I HA 0.200 4.370 4.170 -0.000 0.000 0.286 593 I C -0.163 175.946 176.117 -0.013 0.000 1.025 593 I CA -0.388 60.903 61.300 -0.016 0.000 1.197 593 I CB 0.852 38.848 38.000 -0.005 0.000 1.358 593 I HN 0.456 nan 8.210 nan 0.000 0.467 594 L N 6.002 127.217 121.223 -0.014 0.000 2.290 594 L HA 0.722 5.062 4.340 -0.000 0.000 0.284 594 L C 0.850 177.717 176.870 -0.004 0.000 1.078 594 L CA -0.232 54.601 54.840 -0.011 0.000 0.815 594 L CB 0.834 42.883 42.059 -0.015 0.000 1.162 594 L HN 0.816 nan 8.230 nan 0.000 0.435 595 G N 2.917 111.716 108.800 -0.002 0.000 2.661 595 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.685 595 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.685 595 G C -0.873 174.030 174.900 0.006 0.000 1.298 595 G CA -0.865 44.236 45.100 0.002 0.000 0.855 595 G HN 0.636 nan 8.290 nan 0.000 0.560 596 E N 1.573 121.778 120.200 0.008 0.000 2.229 596 E HA 0.365 4.715 4.350 -0.000 0.000 0.283 596 E C -1.941 174.669 176.600 0.018 0.000 1.030 596 E CA -1.472 54.935 56.400 0.011 0.000 0.836 596 E CB 1.478 31.183 29.700 0.010 0.000 1.068 596 E HN 0.343 nan 8.360 nan 0.000 0.401 597 P HA 0.081 nan 4.420 nan 0.000 0.263 597 P C -1.107 176.216 177.300 0.038 0.000 1.601 597 P CA 0.134 63.254 63.100 0.034 0.000 1.161 597 P CB 0.185 31.907 31.700 0.036 0.000 1.730 598 K N 1.686 122.108 120.400 0.037 0.000 2.375 598 K HA 0.274 4.594 4.320 -0.000 0.000 0.249 598 K C -0.054 176.570 176.600 0.041 0.000 0.942 598 K CA -0.920 55.389 56.287 0.036 0.000 0.806 598 K CB 2.272 34.786 32.500 0.024 0.000 1.227 598 K HN 0.271 nan 8.250 nan 0.000 0.430 599 Q N 2.220 122.046 119.800 0.043 0.000 2.304 599 Q HA -0.105 4.235 4.340 -0.000 0.000 0.301 599 Q C -0.637 175.374 176.000 0.019 0.000 1.063 599 Q CA 0.628 56.455 55.803 0.040 0.000 0.947 599 Q CB 0.316 29.075 28.738 0.034 0.000 1.201 599 Q HN 0.464 nan 8.270 nan 0.000 0.389 600 K N 2.289 122.696 120.400 0.012 0.000 3.974 600 K HA -0.224 4.096 4.320 -0.000 0.000 0.280 600 K C -1.822 174.784 176.600 0.009 0.000 0.949 600 K CA 1.112 57.400 56.287 0.002 0.000 0.817 600 K CB -0.841 31.653 32.500 -0.010 0.000 1.535 600 K HN 0.732 nan 8.250 nan 0.000 0.444 601 R N 1.697 122.206 120.500 0.015 0.000 2.579 601 R HA 0.189 4.529 4.340 -0.000 0.000 0.260 601 R C -0.768 175.541 176.300 0.015 0.000 1.103 601 R CA -1.097 55.011 56.100 0.014 0.000 0.942 601 R CB 0.885 31.194 30.300 0.016 0.000 1.251 601 R HN 0.143 nan 8.270 nan 0.000 0.450 602 K N 2.601 123.007 120.400 0.011 0.000 2.530 602 K HA 0.020 4.340 4.320 -0.000 0.000 0.280 602 K C -0.408 176.199 176.600 0.012 0.000 1.004 602 K CA 0.283 56.576 56.287 0.010 0.000 1.071 602 K CB 0.243 32.747 32.500 0.007 0.000 0.876 602 K HN 0.254 nan 8.250 nan 0.000 0.487 603 L N 3.903 125.133 121.223 0.013 0.000 2.438 603 L HA 0.343 4.683 4.340 -0.000 0.000 0.270 603 L C -1.042 175.832 176.870 0.006 0.000 0.972 603 L CA -0.853 53.995 54.840 0.013 0.000 0.831 603 L CB 2.096 44.169 42.059 0.023 0.000 1.273 603 L HN 0.209 nan 8.230 nan 0.000 0.405 604 V N 3.764 123.677 119.914 -0.001 0.000 2.417 604 V HA 0.762 4.882 4.120 -0.000 0.000 0.291 604 V C 0.285 176.369 176.094 -0.018 0.000 1.024 604 V CA -0.688 61.606 62.300 -0.010 0.000 0.861 604 V CB 1.634 33.448 31.823 -0.014 0.000 0.985 604 V HN 0.889 nan 8.190 nan 0.000 0.436 605 A N 3.904 126.708 122.820 -0.027 0.000 2.271 605 A HA 0.649 4.969 4.320 -0.000 0.000 0.317 605 A C -0.190 177.351 177.584 -0.072 0.000 1.245 605 A CA -0.511 51.502 52.037 -0.040 0.000 0.857 605 A CB 0.628 19.610 19.000 -0.032 0.000 1.175 605 A HN 0.849 nan 8.150 nan 0.000 0.512 606 E N 2.635 122.786 120.200 -0.082 0.000 2.081 606 E HA 0.466 4.816 4.350 -0.000 0.000 0.276 606 E C -0.718 175.785 176.600 -0.161 0.000 0.950 606 E CA -0.509 55.822 56.400 -0.115 0.000 0.776 606 E CB 1.014 30.663 29.700 -0.084 0.000 1.094 606 E HN 0.624 nan 8.360 nan 0.000 0.402 607 V N 1.930 121.677 119.914 -0.279 0.000 2.547 607 V HA 0.853 4.973 4.120 -0.000 0.000 0.299 607 V C -0.368 175.441 176.094 -0.476 0.000 1.040 607 V CA -0.386 61.687 62.300 -0.378 0.000 0.913 607 V CB 1.372 32.889 31.823 -0.509 0.000 0.992 607 V HN 0.671 nan 8.190 nan 0.000 0.449 608 S N 4.375 119.926 115.700 -0.249 0.000 2.588 608 S HA 0.931 5.401 4.470 -0.000 0.000 0.269 608 S C -1.159 173.462 174.600 0.034 0.000 1.157 608 S CA -0.484 57.661 58.200 -0.091 0.000 0.824 608 S CB 1.716 64.872 63.200 -0.073 0.000 1.126 608 S HN 2.329 nan 8.310 nan 0.000 0.464 609 L N -1.577 119.669 121.223 0.038 0.000 2.671 609 L HA 0.766 5.106 4.340 -0.000 0.000 0.259 609 L C -1.247 175.565 176.870 -0.096 0.000 1.021 609 L CA -0.684 54.116 54.840 -0.066 0.000 0.871 609 L CB 1.663 43.601 42.059 -0.202 0.000 1.472 609 L HN 0.954 nan 8.230 nan 0.000 0.410 610 Q N 1.620 121.357 119.800 -0.105 0.000 2.333 610 Q HA 0.421 4.761 4.340 -0.000 0.000 0.265 610 Q C -0.785 175.153 176.000 -0.104 0.000 0.989 610 Q CA -0.647 55.106 55.803 -0.084 0.000 0.842 610 Q CB 1.289 29.993 28.738 -0.056 0.000 1.262 610 Q HN 0.794 nan 8.270 nan 0.000 0.451 611 N N 5.709 124.355 118.700 -0.090 0.000 2.414 611 N HA -0.014 4.726 4.740 -0.000 0.000 0.268 611 N C -1.847 173.617 175.510 -0.076 0.000 1.286 611 N CA -1.059 51.942 53.050 -0.081 0.000 0.896 611 N CB 0.971 39.433 38.487 -0.041 0.000 1.093 611 N HN 0.497 nan 8.380 nan 0.000 0.480 612 P HA 0.016 nan 4.420 nan 0.000 0.240 612 P C 0.128 177.340 177.300 -0.147 0.000 1.190 612 P CA 0.458 63.501 63.100 -0.096 0.000 0.781 612 P CB 0.500 32.150 31.700 -0.084 0.000 0.931 613 L N 1.989 123.119 121.223 -0.155 0.000 2.439 613 L HA 0.252 4.592 4.340 -0.000 0.000 0.261 613 L C -0.949 175.801 176.870 -0.199 0.000 1.153 613 L CA -1.987 52.697 54.840 -0.261 0.000 0.808 613 L CB 0.550 42.503 42.059 -0.176 0.000 1.126 613 L HN -0.212 nan 8.230 nan 0.000 0.460 614 P HA 0.006 nan 4.420 nan 0.000 0.249 614 P C -0.154 177.115 177.300 -0.051 0.000 1.229 614 P CA 0.471 63.498 63.100 -0.122 0.000 0.788 614 P CB 0.247 31.879 31.700 -0.114 0.000 1.072 615 V N -4.072 115.820 119.914 -0.038 0.000 3.155 615 V HA 0.900 5.020 4.120 -0.000 0.000 0.313 615 V C -0.340 175.759 176.094 0.008 0.000 1.162 615 V CA -1.650 60.655 62.300 0.008 0.000 1.048 615 V CB 1.191 33.045 31.823 0.051 0.000 1.092 615 V HN -0.006 nan 8.190 nan 0.000 0.447 616 A N 1.288 124.120 122.820 0.020 0.000 2.322 616 A HA 0.744 5.064 4.320 -0.000 0.000 0.269 616 A C -0.627 176.980 177.584 0.039 0.000 1.094 616 A CA -0.377 51.675 52.037 0.025 0.000 0.807 616 A CB 0.296 19.309 19.000 0.022 0.000 1.047 616 A HN 0.836 nan 8.150 nan 0.000 0.487 617 L N 1.615 122.868 121.223 0.051 0.000 2.289 617 L HA 0.481 4.821 4.340 -0.000 0.000 0.285 617 L C 0.307 177.209 176.870 0.053 0.000 1.049 617 L CA 0.425 55.308 54.840 0.072 0.000 0.804 617 L CB 1.112 43.249 42.059 0.130 0.000 1.195 617 L HN 0.831 nan 8.230 nan 0.000 0.428 618 E N 1.067 121.284 120.200 0.028 0.000 2.312 618 E HA 0.597 4.947 4.350 -0.000 0.000 0.267 618 E C 0.154 176.737 176.600 -0.028 0.000 0.894 618 E CA -0.324 56.080 56.400 0.007 0.000 0.773 618 E CB 1.776 31.479 29.700 0.005 0.000 1.241 618 E HN 0.716 nan 8.360 nan 0.000 0.432 619 G N 1.374 110.152 108.800 -0.037 0.000 2.176 619 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.252 619 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.252 619 G C 0.189 175.000 174.900 -0.147 0.000 1.024 619 G CA -0.077 44.979 45.100 -0.074 0.000 0.755 619 G HN 0.559 nan 8.290 nan 0.000 0.507 620 C N 0.655 119.876 119.300 -0.132 0.000 2.611 620 C HA 0.560 5.020 4.460 -0.000 0.000 0.416 620 C C 0.982 175.798 174.990 -0.291 0.000 1.366 620 C CA 0.712 59.564 59.018 -0.278 0.000 1.761 620 C CB -0.066 27.674 27.740 0.000 0.000 2.619 620 C HN 0.613 nan 8.230 nan 0.000 0.606 621 T N 3.370 117.587 114.554 -0.562 0.000 3.172 621 T HA 0.411 4.761 4.350 -0.000 0.000 0.320 621 T C -0.892 173.582 174.700 -0.376 0.000 1.085 621 T CA -0.197 61.714 62.100 -0.315 0.000 1.052 621 T CB 0.602 69.321 68.868 -0.247 0.000 1.107 621 T HN 0.333 nan 8.240 nan 0.000 0.458 622 F N 2.041 121.970 119.950 -0.036 0.000 2.422 622 F HA 0.646 5.173 4.527 -0.000 0.000 0.333 622 F C 0.894 176.696 175.800 0.003 0.000 1.095 622 F CA -0.300 57.726 58.000 0.043 0.000 1.038 622 F CB 1.889 40.954 39.000 0.107 0.000 1.156 622 F HN 0.398 nan 8.300 nan 0.000 0.483 623 T N 2.627 117.302 114.554 0.202 0.000 2.893 623 T HA 0.735 5.085 4.350 -0.000 0.000 0.293 623 T C -1.050 173.714 174.700 0.107 0.000 1.027 623 T CA -0.714 61.445 62.100 0.099 0.000 0.988 623 T CB 1.924 70.803 68.868 0.018 0.000 1.043 623 T HN 0.295 nan 8.240 nan 0.000 0.461 624 V N 2.220 122.174 119.914 0.067 0.000 3.049 624 V HA 0.844 4.963 4.120 -0.000 0.000 0.309 624 V C -0.860 175.242 176.094 0.014 0.000 1.148 624 V CA -0.858 61.471 62.300 0.048 0.000 0.990 624 V CB 2.297 34.150 31.823 0.050 0.000 1.039 624 V HN 1.111 nan 8.190 nan 0.000 0.430 625 E N 1.574 121.772 120.200 -0.004 0.000 2.427 625 E HA 0.719 5.069 4.350 -0.000 0.000 0.279 625 E C -0.758 175.821 176.600 -0.035 0.000 1.120 625 E CA -0.630 55.754 56.400 -0.025 0.000 0.869 625 E CB 1.948 31.619 29.700 -0.049 0.000 1.393 625 E HN 1.375 nan 8.360 nan 0.000 0.443 626 G N -0.172 108.600 108.800 -0.047 0.000 2.050 626 G HA2 0.490 4.450 3.960 -0.000 0.000 0.274 626 G HA3 0.490 4.450 3.960 -0.000 0.000 0.274 626 G C -0.868 173.988 174.900 -0.074 0.000 1.733 626 G CA -0.362 44.708 45.100 -0.050 0.000 0.905 626 G HN 0.791 nan 8.290 nan 0.000 0.728 627 A N 0.868 123.637 122.820 -0.084 0.000 2.515 627 A HA 0.654 4.974 4.320 -0.000 0.000 0.263 627 A C 1.658 179.055 177.584 -0.311 0.000 1.096 627 A CA 1.546 53.505 52.037 -0.131 0.000 0.769 627 A CB 0.043 18.995 19.000 -0.080 0.000 1.040 627 A HN 2.822 nan 8.150 nan 0.000 0.505 628 G N 1.054 109.619 108.800 -0.391 0.000 2.278 628 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.210 628 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.210 628 G C 0.406 175.084 174.900 -0.370 0.000 1.000 628 G CA 0.345 45.004 45.100 -0.735 0.000 0.635 628 G HN 0.728 nan 8.290 nan 0.000 0.495 629 L N 1.487 122.601 121.223 -0.183 0.000 2.575 629 L HA 0.428 4.768 4.340 -0.000 0.000 0.228 629 L C 1.167 178.034 176.870 -0.005 0.000 1.075 629 L CA 1.945 56.762 54.840 -0.039 0.000 0.867 629 L CB 0.154 42.216 42.059 0.004 0.000 1.097 629 L HN 0.606 nan 8.230 nan 0.000 0.485 630 T N -4.553 109.994 114.554 -0.012 0.000 2.885 630 T HA 0.337 4.687 4.350 -0.000 0.000 0.322 630 T C 0.314 175.022 174.700 0.014 0.000 1.387 630 T CA -0.671 61.435 62.100 0.009 0.000 1.041 630 T CB 2.011 70.884 68.868 0.008 0.000 1.287 630 T HN -0.178 nan 8.240 nan 0.000 0.491 631 E N 0.376 120.593 120.200 0.029 0.000 2.415 631 E HA 0.150 4.500 4.350 -0.000 0.000 0.197 631 E C 0.173 176.791 176.600 0.029 0.000 1.007 631 E CA 0.507 56.930 56.400 0.038 0.000 0.890 631 E CB 0.566 30.295 29.700 0.048 0.000 0.891 631 E HN 0.634 nan 8.360 nan 0.000 0.496 632 E N 0.968 121.181 120.200 0.023 0.000 2.256 632 E HA 0.212 4.562 4.350 -0.000 0.000 0.267 632 E C -0.452 176.158 176.600 0.017 0.000 0.892 632 E CA -0.553 55.860 56.400 0.022 0.000 0.775 632 E CB 2.141 31.854 29.700 0.023 0.000 1.207 632 E HN -0.033 nan 8.360 nan 0.000 0.420 633 Q N 2.435 122.247 119.800 0.019 0.000 2.304 633 Q HA 0.095 4.435 4.340 -0.000 0.000 0.260 633 Q C -0.711 175.301 176.000 0.021 0.000 0.965 633 Q CA -0.183 55.630 55.803 0.016 0.000 0.898 633 Q CB 0.643 29.393 28.738 0.021 0.000 1.196 633 Q HN 0.145 nan 8.270 nan 0.000 0.402 634 K N 2.762 123.175 120.400 0.022 0.000 2.123 634 K HA 0.485 4.805 4.320 -0.000 0.000 0.259 634 K C -0.807 175.816 176.600 0.037 0.000 0.960 634 K CA -0.438 55.865 56.287 0.027 0.000 0.872 634 K CB 2.013 34.528 32.500 0.025 0.000 1.079 634 K HN 0.636 nan 8.250 nan 0.000 0.440 635 T N 0.313 114.889 114.554 0.038 0.000 2.909 635 T HA 0.479 4.829 4.350 -0.000 0.000 0.299 635 T C -1.075 173.658 174.700 0.055 0.000 1.073 635 T CA -0.635 61.493 62.100 0.046 0.000 0.999 635 T CB 1.890 70.771 68.868 0.022 0.000 1.098 635 T HN 0.189 nan 8.240 nan 0.000 0.477 636 V N 2.586 122.551 119.914 0.084 0.000 2.610 636 V HA 0.343 4.463 4.120 -0.000 0.000 0.298 636 V C -0.491 175.661 176.094 0.096 0.000 1.067 636 V CA -0.896 61.457 62.300 0.089 0.000 0.894 636 V CB 1.915 33.803 31.823 0.107 0.000 1.015 636 V HN 0.878 nan 8.190 nan 0.000 0.432 637 E N 4.663 124.895 120.200 0.054 0.000 2.283 637 E HA 0.561 4.911 4.350 -0.000 0.000 0.267 637 E C -1.008 175.627 176.600 0.059 0.000 1.045 637 E CA -0.821 55.599 56.400 0.033 0.000 0.884 637 E CB 1.810 31.513 29.700 0.004 0.000 1.106 637 E HN 0.393 nan 8.360 nan 0.000 0.408 638 I N 3.406 124.008 120.570 0.054 0.000 2.355 638 I HA 0.132 4.302 4.170 -0.000 0.000 0.288 638 I C -1.369 174.772 176.117 0.041 0.000 0.999 638 I CA -2.379 58.965 61.300 0.074 0.000 1.163 638 I CB 0.661 38.731 38.000 0.118 0.000 1.316 638 I HN 0.412 nan 8.210 nan 0.000 0.454 639 P HA -0.107 nan 4.420 nan 0.000 0.214 639 P C 0.034 177.348 177.300 0.023 0.000 1.163 639 P CA 1.285 64.399 63.100 0.023 0.000 0.883 639 P CB 0.427 32.141 31.700 0.022 0.000 0.788 640 D N 0.858 121.277 120.400 0.031 0.000 2.225 640 D HA 0.251 4.891 4.640 -0.000 0.000 0.249 640 D C -1.990 174.332 176.300 0.036 0.000 1.052 640 D CA -1.610 52.408 54.000 0.029 0.000 0.909 640 D CB 0.515 41.332 40.800 0.028 0.000 1.186 640 D HN 0.176 nan 8.370 nan 0.000 0.431 641 P HA 0.038 nan 4.420 nan 0.000 0.269 641 P C -0.443 176.883 177.300 0.044 0.000 1.209 641 P CA -0.289 62.832 63.100 0.036 0.000 0.776 641 P CB 0.758 32.473 31.700 0.025 0.000 0.876 642 V N 2.709 122.657 119.914 0.057 0.000 2.318 642 V HA 0.152 4.272 4.120 -0.000 0.000 0.271 642 V C 0.787 176.902 176.094 0.036 0.000 1.030 642 V CA -0.409 61.924 62.300 0.056 0.000 0.844 642 V CB 0.332 32.205 31.823 0.083 0.000 1.015 642 V HN 0.504 nan 8.190 nan 0.000 0.460 643 E N 3.080 123.294 120.200 0.023 0.000 2.408 643 E HA 0.381 4.731 4.350 -0.000 0.000 0.259 643 E C 1.432 178.033 176.600 0.001 0.000 1.110 643 E CA 0.724 57.131 56.400 0.012 0.000 0.929 643 E CB 0.990 30.695 29.700 0.009 0.000 0.971 643 E HN 0.701 nan 8.360 nan 0.000 0.438 644 A N 2.425 125.241 122.820 -0.006 0.000 1.957 644 A HA -0.304 4.016 4.320 -0.000 0.000 0.224 644 A C 1.889 179.456 177.584 -0.028 0.000 1.287 644 A CA 2.731 54.755 52.037 -0.022 0.000 0.682 644 A CB -1.251 17.735 19.000 -0.023 0.000 0.833 644 A HN 0.681 nan 8.150 nan 0.000 0.482 645 G N -1.317 107.471 108.800 -0.020 0.000 2.656 645 G HA2 0.244 4.204 3.960 -0.000 0.000 0.211 645 G HA3 0.244 4.204 3.960 -0.000 0.000 0.211 645 G C 0.351 175.240 174.900 -0.020 0.000 1.137 645 G CA 0.156 45.242 45.100 -0.023 0.000 0.802 645 G HN 0.448 nan 8.290 nan 0.000 0.527 646 E N 1.245 121.438 120.200 -0.011 0.000 2.485 646 E HA 0.125 4.475 4.350 -0.000 0.000 0.266 646 E C 0.434 177.029 176.600 -0.009 0.000 1.090 646 E CA 0.199 56.596 56.400 -0.004 0.000 0.987 646 E CB 0.584 30.288 29.700 0.008 0.000 0.974 646 E HN 0.744 nan 8.360 nan 0.000 0.455 647 E N -0.652 119.547 120.200 -0.002 0.000 2.235 647 E HA 0.556 4.906 4.350 -0.000 0.000 0.265 647 E C -1.097 175.520 176.600 0.028 0.000 0.940 647 E CA -0.950 55.448 56.400 -0.003 0.000 0.819 647 E CB 1.418 31.113 29.700 -0.009 0.000 1.206 647 E HN 0.104 nan 8.360 nan 0.000 0.409 648 V N 1.255 121.201 119.914 0.054 0.000 2.604 648 V HA 0.568 4.688 4.120 -0.000 0.000 0.305 648 V C -0.524 175.651 176.094 0.135 0.000 1.043 648 V CA -0.869 61.515 62.300 0.139 0.000 0.888 648 V CB 1.347 33.331 31.823 0.269 0.000 0.995 648 V HN 0.789 nan 8.190 nan 0.000 0.429 649 K N 3.183 123.637 120.400 0.089 0.000 2.525 649 K HA 0.832 5.152 4.320 -0.000 0.000 0.254 649 K C -1.461 175.113 176.600 -0.043 0.000 0.934 649 K CA -0.533 55.739 56.287 -0.025 0.000 0.802 649 K CB 2.534 35.015 32.500 -0.033 0.000 1.295 649 K HN 0.800 nan 8.250 nan 0.000 0.433 650 V N -0.128 119.689 119.914 -0.162 0.000 3.206 650 V HA 0.716 4.836 4.120 -0.000 0.000 0.305 650 V C -1.665 174.341 176.094 -0.147 0.000 1.257 650 V CA -1.128 61.105 62.300 -0.112 0.000 1.057 650 V CB 2.048 33.837 31.823 -0.057 0.000 1.075 650 V HN 0.847 nan 8.190 nan 0.000 0.443 651 R N 2.757 123.208 120.500 -0.083 0.000 2.534 651 R HA 0.738 5.078 4.340 -0.000 0.000 0.301 651 R C -1.262 175.010 176.300 -0.048 0.000 0.961 651 R CA -0.853 55.204 56.100 -0.072 0.000 0.871 651 R CB 1.893 32.166 30.300 -0.045 0.000 1.170 651 R HN 0.721 nan 8.270 nan 0.000 0.446 652 M N 1.973 121.544 119.600 -0.048 0.000 2.336 652 M HA 0.345 4.825 4.480 -0.000 0.000 0.342 652 M C -0.512 175.780 176.300 -0.013 0.000 1.128 652 M CA -0.433 54.854 55.300 -0.021 0.000 1.016 652 M CB 1.600 34.190 32.600 -0.016 0.000 1.665 652 M HN 0.432 nan 8.290 nan 0.000 0.445 653 D N 3.988 124.387 120.400 -0.002 0.000 2.274 653 D HA 0.600 5.240 4.640 -0.000 0.000 0.239 653 D C -0.581 175.722 176.300 0.006 0.000 1.104 653 D CA -0.187 53.814 54.000 0.001 0.000 0.840 653 D CB 1.904 42.706 40.800 0.003 0.000 1.100 653 D HN 0.435 nan 8.370 nan 0.000 0.477 654 L N 0.881 122.109 121.223 0.008 0.000 2.319 654 L HA 0.595 4.935 4.340 -0.000 0.000 0.267 654 L C -0.160 176.720 176.870 0.017 0.000 1.011 654 L CA -1.122 53.726 54.840 0.014 0.000 0.818 654 L CB 2.187 44.256 42.059 0.017 0.000 1.316 654 L HN 0.043 nan 8.230 nan 0.000 0.432 655 V N 1.560 121.486 119.914 0.020 0.000 2.467 655 V HA 0.215 4.335 4.120 -0.000 0.000 0.260 655 V C -2.330 173.780 176.094 0.028 0.000 0.963 655 V CA -1.143 61.170 62.300 0.020 0.000 0.856 655 V CB 0.937 32.769 31.823 0.015 0.000 1.087 655 V HN 0.582 nan 8.190 nan 0.000 0.467 656 P HA 0.144 nan 4.420 nan 0.000 0.267 656 P C -0.024 177.308 177.300 0.053 0.000 1.209 656 P CA 0.005 63.139 63.100 0.057 0.000 0.763 656 P CB 1.801 33.550 31.700 0.083 0.000 0.816 657 L N 3.154 124.416 121.223 0.064 0.000 2.693 657 L HA 0.248 4.588 4.340 -0.000 0.000 0.235 657 L C 0.446 177.181 176.870 -0.224 0.000 1.127 657 L CA 0.401 55.196 54.840 -0.075 0.000 0.914 657 L CB -1.113 40.856 42.059 -0.149 0.000 1.193 657 L HN 0.460 nan 8.230 nan 0.000 0.502 658 H N -1.794 117.308 119.070 0.054 0.000 2.768 658 H HA 0.564 5.120 4.556 -0.000 0.000 0.371 658 H C -0.160 175.323 175.328 0.259 0.000 1.151 658 H CA -0.702 55.426 56.048 0.134 0.000 1.165 658 H CB 1.370 31.211 29.762 0.132 0.000 1.722 658 H HN -0.127 nan 8.280 nan 0.000 0.543 659 M N 1.168 120.954 119.600 0.309 0.000 2.197 659 M HA 0.453 4.933 4.480 -0.000 0.000 0.305 659 M C 0.690 177.087 176.300 0.162 0.000 1.162 659 M CA 0.536 55.958 55.300 0.204 0.000 1.099 659 M CB 0.969 33.636 32.600 0.112 0.000 1.430 659 M HN 0.972 nan 8.290 nan 0.000 0.481 660 G N 0.609 109.407 108.800 -0.004 0.000 2.655 660 G HA2 -0.122 3.838 3.960 -0.000 0.000 0.680 660 G HA3 -0.122 3.838 3.960 -0.000 0.000 0.680 660 G C -1.474 173.144 174.900 -0.471 0.000 1.302 660 G CA -0.929 44.075 45.100 -0.160 0.000 0.872 660 G HN 0.785 nan 8.290 nan 0.000 0.540 661 L N 1.483 122.481 121.223 -0.375 0.000 2.416 661 L HA 0.718 5.058 4.340 -0.000 0.000 0.272 661 L C 0.083 176.623 176.870 -0.550 0.000 1.161 661 L CA -0.127 54.506 54.840 -0.345 0.000 0.845 661 L CB 0.313 42.294 42.059 -0.131 0.000 1.119 661 L HN 0.750 nan 8.230 nan 0.000 0.464 662 H N 3.717 122.813 119.070 0.043 0.000 2.974 662 H HA 0.413 4.969 4.556 -0.000 0.000 0.366 662 H C -0.984 174.367 175.328 0.037 0.000 1.155 662 H CA -0.897 55.170 56.048 0.032 0.000 1.186 662 H CB 1.472 31.255 29.762 0.036 0.000 1.799 662 H HN 0.553 nan 8.280 nan 0.000 0.541 663 K N 1.846 122.332 120.400 0.144 0.000 2.183 663 K HA 0.281 4.601 4.320 -0.000 0.000 0.274 663 K C -0.410 176.253 176.600 0.105 0.000 1.009 663 K CA -0.916 55.442 56.287 0.118 0.000 0.888 663 K CB 1.792 34.304 32.500 0.020 0.000 1.078 663 K HN 0.211 nan 8.250 nan 0.000 0.459 664 L N 5.182 126.483 121.223 0.129 0.000 2.255 664 L HA 0.253 4.593 4.340 -0.000 0.000 0.289 664 L C -0.710 176.228 176.870 0.114 0.000 1.046 664 L CA -0.448 54.445 54.840 0.089 0.000 0.816 664 L CB 1.201 43.303 42.059 0.073 0.000 1.197 664 L HN 0.379 nan 8.230 nan 0.000 0.427 665 V N 6.440 126.392 119.914 0.063 0.000 2.472 665 V HA 0.774 4.894 4.120 -0.000 0.000 0.290 665 V C -0.964 175.173 176.094 0.072 0.000 1.037 665 V CA -0.241 62.108 62.300 0.081 0.000 0.908 665 V CB 1.827 33.645 31.823 -0.008 0.000 0.985 665 V HN 0.704 nan 8.190 nan 0.000 0.454 666 V N 5.259 125.246 119.914 0.121 0.000 2.823 666 V HA 0.732 4.852 4.120 -0.000 0.000 0.312 666 V C -0.904 175.285 176.094 0.159 0.000 1.072 666 V CA -0.489 61.897 62.300 0.143 0.000 0.937 666 V CB 2.151 34.082 31.823 0.180 0.000 1.013 666 V HN 1.214 nan 8.190 nan 0.000 0.430 667 N N 3.618 122.412 118.700 0.156 0.000 2.238 667 N HA 0.627 5.367 4.740 -0.000 0.000 0.302 667 N C -1.775 173.806 175.510 0.118 0.000 1.072 667 N CA -0.523 52.597 53.050 0.117 0.000 0.792 667 N CB 1.924 40.428 38.487 0.027 0.000 1.425 667 N HN 0.747 nan 8.380 nan 0.000 0.478 668 F N 1.953 121.834 119.950 -0.114 0.000 2.495 668 F HA 0.628 5.155 4.527 -0.000 0.000 0.327 668 F C -0.568 175.091 175.800 -0.236 0.000 1.103 668 F CA -0.523 57.261 58.000 -0.361 0.000 0.949 668 F CB 1.672 40.388 39.000 -0.473 0.000 1.142 668 F HN 0.494 nan 8.300 nan 0.000 0.457 669 E N 2.873 122.465 120.200 -1.015 0.000 2.340 669 E HA 0.696 5.046 4.350 -0.000 0.000 0.273 669 E C -1.509 174.570 176.600 -0.868 0.000 0.891 669 E CA -0.441 55.561 56.400 -0.663 0.000 0.757 669 E CB 2.059 31.524 29.700 -0.392 0.000 1.231 669 E HN 0.769 nan 8.360 nan 0.000 0.439 670 S N 1.902 117.342 115.700 -0.433 0.000 2.703 670 S HA 0.279 4.749 4.470 -0.000 0.000 0.273 670 S C 0.028 174.565 174.600 -0.105 0.000 1.178 670 S CA -0.116 57.918 58.200 -0.277 0.000 0.838 670 S CB 0.427 63.522 63.200 -0.175 0.000 1.178 670 S HN 0.522 nan 8.310 nan 0.000 0.494 671 D N 0.661 121.031 120.400 -0.049 0.000 2.149 671 D HA -0.038 4.602 4.640 -0.000 0.000 0.201 671 D C 0.952 177.263 176.300 0.018 0.000 0.972 671 D CA 1.093 55.083 54.000 -0.016 0.000 0.835 671 D CB -0.213 40.583 40.800 -0.008 0.000 0.966 671 D HN 0.639 nan 8.370 nan 0.000 0.476 672 K N -0.607 119.822 120.400 0.047 0.000 2.402 672 K HA 0.300 4.620 4.320 -0.000 0.000 0.204 672 K C 0.098 176.767 176.600 0.115 0.000 1.056 672 K CA -0.261 56.077 56.287 0.084 0.000 1.069 672 K CB 1.809 34.370 32.500 0.101 0.000 0.888 672 K HN 0.090 nan 8.250 nan 0.000 0.546 673 L N 2.163 123.455 121.223 0.113 0.000 2.518 673 L HA 0.364 4.704 4.340 -0.000 0.000 0.262 673 L C -1.569 175.384 176.870 0.137 0.000 0.982 673 L CA -0.284 54.646 54.840 0.149 0.000 0.873 673 L CB 1.288 43.466 42.059 0.198 0.000 1.198 673 L HN 0.002 nan 8.230 nan 0.000 0.427 674 K N 2.838 123.296 120.400 0.096 0.000 2.221 674 K HA 0.711 5.031 4.320 -0.000 0.000 0.243 674 K C 0.638 177.279 176.600 0.068 0.000 0.968 674 K CA -0.131 56.186 56.287 0.050 0.000 0.846 674 K CB 2.096 34.614 32.500 0.030 0.000 1.141 674 K HN 0.590 nan 8.250 nan 0.000 0.434 675 A N 0.204 123.042 122.820 0.030 0.000 2.783 675 A HA -0.142 4.178 4.320 -0.000 0.000 0.292 675 A C 0.169 177.808 177.584 0.092 0.000 1.495 675 A CA 0.793 52.858 52.037 0.046 0.000 0.787 675 A CB -2.218 16.811 19.000 0.049 0.000 1.017 675 A HN 0.513 nan 8.150 nan 0.000 0.516 676 V N -0.062 119.934 119.914 0.137 0.000 2.488 676 V HA 0.597 4.717 4.120 -0.000 0.000 0.277 676 V C 0.364 176.544 176.094 0.144 0.000 1.046 676 V CA -0.607 61.777 62.300 0.140 0.000 0.986 676 V CB 0.893 32.792 31.823 0.127 0.000 0.989 676 V HN 0.399 nan 8.190 nan 0.000 0.475 677 K N 4.846 125.326 120.400 0.133 0.000 2.132 677 K HA 0.884 5.204 4.320 -0.000 0.000 0.241 677 K C 0.164 176.866 176.600 0.171 0.000 1.000 677 K CA 0.026 56.401 56.287 0.147 0.000 0.911 677 K CB 1.619 34.198 32.500 0.132 0.000 1.093 677 K HN 1.141 nan 8.250 nan 0.000 0.460 678 G N 0.241 109.166 108.800 0.208 0.000 2.579 678 G HA2 0.606 4.566 3.960 -0.000 0.000 0.292 678 G HA3 0.606 4.566 3.960 -0.000 0.000 0.292 678 G C -1.715 173.360 174.900 0.293 0.000 1.484 678 G CA -0.867 44.355 45.100 0.205 0.000 0.813 678 G HN 0.441 nan 8.290 nan 0.000 0.515 679 F N -0.775 119.221 119.950 0.077 0.000 2.741 679 F HA 0.952 5.479 4.527 -0.000 0.000 0.313 679 F C -1.077 174.759 175.800 0.059 0.000 1.153 679 F CA -1.516 56.524 58.000 0.067 0.000 0.931 679 F CB 2.164 41.217 39.000 0.088 0.000 1.335 679 F HN 0.739 nan 8.300 nan 0.000 0.460 680 R N 1.921 122.449 120.500 0.046 0.000 2.522 680 R HA 0.380 4.720 4.340 -0.000 0.000 0.273 680 R C -2.232 174.145 176.300 0.128 0.000 1.133 680 R CA -0.514 55.552 56.100 -0.057 0.000 0.969 680 R CB 0.937 31.196 30.300 -0.068 0.000 1.235 680 R HN 0.761 nan 8.270 nan 0.000 0.433 681 N N 2.711 121.495 118.700 0.141 0.000 2.470 681 N HA 0.211 4.951 4.740 -0.000 0.000 0.268 681 N C -0.934 174.621 175.510 0.076 0.000 1.136 681 N CA 0.046 53.178 53.050 0.136 0.000 0.961 681 N CB 1.582 40.148 38.487 0.133 0.000 1.067 681 N HN 0.277 nan 8.380 nan 0.000 0.468 682 V N 4.120 124.082 119.914 0.080 0.000 2.495 682 V HA 0.277 4.397 4.120 -0.000 0.000 0.298 682 V C 1.406 177.523 176.094 0.037 0.000 1.031 682 V CA -0.667 61.672 62.300 0.065 0.000 0.871 682 V CB 1.929 33.807 31.823 0.091 0.000 0.988 682 V HN 0.505 nan 8.190 nan 0.000 0.432 683 I N 3.218 123.799 120.570 0.019 0.000 2.296 683 I HA 0.152 4.322 4.170 -0.000 0.000 0.242 683 I C 1.038 177.156 176.117 0.002 0.000 1.087 683 I CA 0.987 62.279 61.300 -0.013 0.000 1.393 683 I CB -0.195 37.801 38.000 -0.006 0.000 1.093 683 I HN 0.610 nan 8.210 nan 0.000 0.421 684 I N 1.174 121.770 120.570 0.042 0.000 8.182 684 I HA -0.213 3.957 4.170 -0.000 0.000 0.126 684 I C 0.660 176.809 176.117 0.054 0.000 1.835 684 I CA 0.279 61.620 61.300 0.070 0.000 2.072 684 I CB -1.201 36.887 38.000 0.148 0.000 3.753 684 I HN 0.348 nan 8.210 nan 0.000 0.180 685 G N 7.092 115.917 108.800 0.042 0.000 2.702 685 G HA2 0.747 4.707 3.960 -0.000 0.000 0.254 685 G HA3 0.747 4.707 3.960 -0.000 0.000 0.254 685 G C -2.504 172.419 174.900 0.037 0.000 1.380 685 G CA -0.809 44.311 45.100 0.034 0.000 1.042 685 G HN 0.424 nan 8.290 nan 0.000 0.557 686 P HA 0.216 nan 4.420 nan 0.000 0.266 686 P C 0.266 177.578 177.300 0.020 0.000 1.195 686 P CA 0.169 63.283 63.100 0.023 0.000 0.768 686 P CB 0.739 32.449 31.700 0.017 0.000 0.838 687 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 19.004 19.000 0.007 0.000 0.831 687 A HN 0.000 nan 8.150 nan 0.000 0.486