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 1gz4_1_C DATA FIRST_RESID 23 DATA SEQUENCE EKGKPLXLNP RTNKGXAFTL QERQXLGLQG LLPPKIETQD IQALRFHRNL DATA SEQUENCE KKXTSPLEKY IYIXGIQERN EKLFYRILQD DIESLXPIVY TPTVGLACSQ DATA SEQUENCE YGHIFRRPKG LFISISDRGH VRSIVDNWPE NHVKAVVVTD GERILGLGDL DATA SEQUENCE GVYGXGIPVG KLCLYTACAG IRPDRCLPVC IDVGTDNIAL LKDPFYXGLY DATA SEQUENCE QKRDRTQQYD DLIDEFXKAI TDRYGRNTLI QFEDFGNHNA FRFLRKYREK DATA SEQUENCE YCTFNDDIQG TAAVALAGLL AAQKVISKPI SEHKILFLGA GEAALGIANL DATA SEQUENCE IVXSXVENGL SEQEAQKKIW XFDKYGLLVK GRKAKIDSYQ EPFTHSAPES DATA SEQUENCE IPDTFEDAVN ILKPSTIIGV AGAGRLFTPD VIRAXASINE RPVIFALSNP DATA SEQUENCE TAQAECTAEE AYTLTEGRCL FASGSPFGPV KLTDGRVFTP GQGNNVYIFP DATA SEQUENCE GVALAVILCN TRHISDSVFL EAAKALTSQL TDEELAQGRL YPPLANIQEV DATA SEQUENCE SINIAIKVTE YLYANKXAFR YPEPEDKAKY VKERTWRSEY DSLLPDVYEW DATA SEQUENCE P 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 23 E HA 0.000 nan 4.350 nan 0.000 0.291 23 E C 0.000 176.596 176.600 -0.007 0.000 1.382 23 E CA 0.000 56.399 56.400 -0.002 0.000 0.976 23 E CB 0.000 29.698 29.700 -0.003 0.000 0.812 24 K N -0.491 119.896 120.400 -0.023 0.000 2.466 24 K HA 0.848 5.167 4.320 -0.001 0.000 0.260 24 K C 0.253 176.819 176.600 -0.057 0.000 1.011 24 K CA -0.125 56.136 56.287 -0.043 0.000 0.871 24 K CB 2.005 34.478 32.500 -0.045 0.000 1.404 24 K HN 0.743 nan 8.250 nan 0.000 0.450 25 G N 1.233 109.978 108.800 -0.090 0.000 2.681 25 G HA2 -0.304 3.655 3.960 -0.001 0.000 0.220 25 G HA3 -0.304 3.655 3.960 -0.001 0.000 0.220 25 G C 0.340 175.186 174.900 -0.090 0.000 1.353 25 G CA 0.384 45.428 45.100 -0.093 0.000 0.872 25 G HN 0.851 nan 8.290 nan 0.000 0.557 26 K N 0.887 121.244 120.400 -0.070 0.000 2.144 26 K HA -0.099 4.220 4.320 -0.001 0.000 0.209 26 K C 0.182 176.764 176.600 -0.030 0.000 1.047 26 K CA 2.906 59.163 56.287 -0.051 0.000 0.927 26 K CB -1.269 31.208 32.500 -0.037 0.000 0.716 26 K HN 0.327 nan 8.250 nan 0.000 0.454 27 P HA -0.129 nan 4.420 nan 0.000 0.218 27 P C 0.177 177.482 177.300 0.008 0.000 1.148 27 P CA 0.867 63.960 63.100 -0.011 0.000 0.822 27 P CB 0.040 31.731 31.700 -0.015 0.000 0.784 31 N N 3.038 121.749 118.700 0.018 0.000 2.414 31 N HA 0.237 4.976 4.740 -0.001 0.000 0.256 31 N C -1.644 173.879 175.510 0.022 0.000 1.029 31 N CA -2.038 51.016 53.050 0.005 0.000 0.948 31 N CB 1.573 40.065 38.487 0.007 0.000 1.102 31 N HN -0.066 nan 8.380 nan 0.000 0.496 32 P HA -0.144 nan 4.420 nan 0.000 0.221 32 P C 1.042 178.368 177.300 0.043 0.000 1.145 32 P CA 0.773 63.876 63.100 0.006 0.000 0.795 32 P CB 0.561 32.235 31.700 -0.042 0.000 0.775 33 R N 0.774 121.297 120.500 0.040 0.000 2.092 33 R HA -0.074 4.266 4.340 -0.001 0.000 0.231 33 R C 2.146 178.511 176.300 0.109 0.000 1.119 33 R CA 2.360 58.504 56.100 0.075 0.000 0.970 33 R CB -1.160 29.163 30.300 0.040 0.000 0.864 33 R HN 0.284 nan 8.270 nan 0.000 0.440 34 T N -3.399 111.211 114.554 0.093 0.000 2.990 34 T HA 0.138 4.488 4.350 -0.001 0.000 0.249 34 T C 0.554 175.302 174.700 0.079 0.000 1.039 34 T CA -0.267 61.900 62.100 0.111 0.000 1.036 34 T CB -0.296 68.655 68.868 0.139 0.000 0.994 34 T HN 0.061 nan 8.240 nan 0.000 0.489 35 N N 2.050 120.799 118.700 0.082 0.000 2.440 35 N HA 0.101 4.840 4.740 -0.001 0.000 0.265 35 N C 0.436 175.818 175.510 -0.213 0.000 1.239 35 N CA 0.233 53.307 53.050 0.039 0.000 0.909 35 N CB 0.629 39.171 38.487 0.091 0.000 1.066 35 N HN 0.346 nan 8.380 nan 0.000 0.474 36 K N 2.254 122.199 120.400 -0.759 0.000 2.374 36 K HA 0.244 4.563 4.320 -0.001 0.000 0.202 36 K C 0.764 177.070 176.600 -0.490 0.000 1.040 36 K CA 0.070 55.821 56.287 -0.893 0.000 1.085 36 K CB 0.268 31.756 32.500 -1.687 0.000 0.873 36 K HN 0.791 nan 8.250 nan 0.000 0.539 40 F N 3.140 122.966 119.950 -0.206 0.000 2.578 40 F HA 0.302 4.828 4.527 -0.001 0.000 0.381 40 F C 1.767 177.507 175.800 -0.100 0.000 1.069 40 F CA 1.384 59.288 58.000 -0.159 0.000 1.231 40 F CB 0.879 39.812 39.000 -0.112 0.000 1.086 40 F HN 0.311 nan 8.300 nan 0.000 0.564 41 T N 1.811 116.435 114.554 0.116 0.000 2.766 41 T HA 0.063 4.412 4.350 -0.001 0.000 0.295 41 T C 1.051 175.784 174.700 0.054 0.000 1.024 41 T CA -0.897 61.239 62.100 0.060 0.000 1.018 41 T CB 0.931 69.823 68.868 0.040 0.000 1.002 41 T HN 0.580 nan 8.240 nan 0.000 0.532 42 L N 0.798 122.038 121.223 0.029 0.000 2.042 42 L HA -0.075 4.264 4.340 -0.001 0.000 0.210 42 L C 2.910 179.781 176.870 0.003 0.000 1.076 42 L CA 1.782 56.629 54.840 0.012 0.000 0.749 42 L CB -1.039 41.024 42.059 0.008 0.000 0.893 42 L HN 0.804 nan 8.230 nan 0.000 0.432 43 Q N -0.621 119.184 119.800 0.009 0.000 2.084 43 Q HA -0.230 4.110 4.340 -0.001 0.000 0.202 43 Q C 2.079 178.079 176.000 -0.001 0.000 0.978 43 Q CA 1.989 57.794 55.803 0.003 0.000 0.844 43 Q CB -0.118 28.626 28.738 0.010 0.000 0.898 43 Q HN 0.679 nan 8.270 nan 0.000 0.426 44 E N 0.324 120.535 120.200 0.019 0.000 2.077 44 E HA -0.182 4.168 4.350 -0.001 0.000 0.193 44 E C 2.074 178.634 176.600 -0.067 0.000 0.989 44 E CA 0.788 57.199 56.400 0.019 0.000 0.800 44 E CB -0.066 29.710 29.700 0.128 0.000 0.746 44 E HN 0.274 nan 8.360 nan 0.000 0.452 45 R N 1.039 121.491 120.500 -0.080 0.000 2.081 45 R HA -0.075 4.264 4.340 -0.001 0.000 0.235 45 R C 1.373 177.605 176.300 -0.114 0.000 1.131 45 R CA 0.843 56.852 56.100 -0.153 0.000 0.960 45 R CB -0.222 30.016 30.300 -0.103 0.000 0.856 45 R HN 0.260 nan 8.270 nan 0.000 0.436 49 G N 1.269 110.001 108.800 -0.114 0.000 2.246 49 G HA2 -0.278 3.681 3.960 -0.001 0.000 0.273 49 G HA3 -0.278 3.681 3.960 -0.001 0.000 0.273 49 G C 0.419 175.237 174.900 -0.136 0.000 1.055 49 G CA 0.753 45.790 45.100 -0.106 0.000 0.851 49 G HN 0.360 nan 8.290 nan 0.000 0.500 50 L N -1.004 120.111 121.223 -0.180 0.000 2.638 50 L HA 0.249 4.588 4.340 -0.001 0.000 0.232 50 L C 1.365 178.149 176.870 -0.143 0.000 1.099 50 L CA -0.359 54.353 54.840 -0.214 0.000 0.883 50 L CB 0.035 41.850 42.059 -0.406 0.000 1.136 50 L HN 0.164 nan 8.230 nan 0.000 0.492 51 Q N 1.282 121.017 119.800 -0.108 0.000 2.263 51 Q HA 0.085 4.424 4.340 -0.001 0.000 0.289 51 Q C 1.206 177.172 176.000 -0.056 0.000 1.061 51 Q CA 1.397 57.158 55.803 -0.071 0.000 0.927 51 Q CB 0.768 29.472 28.738 -0.055 0.000 1.154 51 Q HN 0.473 nan 8.270 nan 0.000 0.378 52 G N 2.634 111.409 108.800 -0.043 0.000 2.234 52 G HA2 -0.268 3.691 3.960 -0.001 0.000 0.235 52 G HA3 -0.268 3.691 3.960 -0.001 0.000 0.235 52 G C 0.659 175.539 174.900 -0.032 0.000 0.997 52 G CA 0.276 45.357 45.100 -0.033 0.000 0.623 52 G HN 0.552 nan 8.290 nan 0.000 0.514 53 L N 0.178 121.375 121.223 -0.045 0.000 2.567 53 L HA 0.481 4.820 4.340 -0.001 0.000 0.225 53 L C 0.994 177.851 176.870 -0.022 0.000 1.119 53 L CA 0.344 55.161 54.840 -0.039 0.000 0.871 53 L CB 0.041 42.064 42.059 -0.059 0.000 1.036 53 L HN 0.188 nan 8.230 nan 0.000 0.459 54 L N -0.964 120.248 121.223 -0.018 0.000 2.323 54 L HA 0.501 4.840 4.340 -0.001 0.000 0.265 54 L C -2.232 174.644 176.870 0.010 0.000 1.012 54 L CA -1.967 52.879 54.840 0.010 0.000 0.820 54 L CB 1.574 43.651 42.059 0.029 0.000 1.334 54 L HN -0.254 nan 8.230 nan 0.000 0.427 55 P HA 0.116 nan 4.420 nan 0.000 0.269 55 P C -2.107 175.201 177.300 0.015 0.000 1.215 55 P CA -0.839 62.270 63.100 0.015 0.000 0.780 55 P CB 0.100 31.812 31.700 0.021 0.000 0.898 56 P HA -0.146 nan 4.420 nan 0.000 0.218 56 P C 0.116 177.424 177.300 0.014 0.000 1.148 56 P CA 1.262 64.367 63.100 0.009 0.000 0.822 56 P CB 0.022 31.725 31.700 0.006 0.000 0.784 57 K N 1.036 121.447 120.400 0.018 0.000 2.484 57 K HA 0.030 4.349 4.320 -0.001 0.000 0.280 57 K C -0.267 176.348 176.600 0.026 0.000 1.013 57 K CA 0.474 56.773 56.287 0.021 0.000 1.029 57 K CB -0.266 32.247 32.500 0.023 0.000 0.902 57 K HN -0.114 nan 8.250 nan 0.000 0.481 58 I N 4.833 125.417 120.570 0.024 0.000 2.312 58 I HA 0.225 4.394 4.170 -0.001 0.000 0.290 58 I C 0.402 176.535 176.117 0.026 0.000 1.008 58 I CA -0.233 61.083 61.300 0.026 0.000 1.226 58 I CB 0.832 38.846 38.000 0.023 0.000 1.371 58 I HN 0.771 nan 8.210 nan 0.000 0.468 59 E N 3.897 124.113 120.200 0.026 0.000 2.254 59 E HA 0.593 4.943 4.350 -0.001 0.000 0.258 59 E C -0.089 176.536 176.600 0.041 0.000 1.033 59 E CA -0.668 55.753 56.400 0.035 0.000 0.893 59 E CB 1.753 31.478 29.700 0.042 0.000 1.204 59 E HN 0.628 nan 8.360 nan 0.000 0.425 60 T N -2.633 111.958 114.554 0.061 0.000 2.940 60 T HA 0.144 4.493 4.350 -0.001 0.000 0.288 60 T C 0.812 175.588 174.700 0.127 0.000 1.045 60 T CA -0.775 61.377 62.100 0.087 0.000 1.018 60 T CB 1.732 70.638 68.868 0.062 0.000 1.151 60 T HN 0.476 nan 8.240 nan 0.000 0.529 61 Q N -0.244 119.656 119.800 0.166 0.000 2.167 61 Q HA -0.154 4.185 4.340 -0.001 0.000 0.202 61 Q C 1.125 177.151 176.000 0.043 0.000 0.970 61 Q CA 1.610 57.480 55.803 0.113 0.000 0.855 61 Q CB -0.144 28.548 28.738 -0.077 0.000 0.911 61 Q HN 0.690 nan 8.270 nan 0.000 0.438 62 D N 0.353 120.779 120.400 0.042 0.000 2.117 62 D HA -0.160 4.479 4.640 -0.001 0.000 0.197 62 D C 1.754 178.093 176.300 0.065 0.000 0.987 62 D CA 1.052 55.079 54.000 0.045 0.000 0.829 62 D CB -0.137 40.686 40.800 0.037 0.000 0.961 62 D HN 0.340 nan 8.370 nan 0.000 0.460 63 I N 0.658 121.267 120.570 0.064 0.000 2.252 63 I HA -0.270 3.899 4.170 -0.001 0.000 0.245 63 I C 2.401 178.563 176.117 0.075 0.000 1.102 63 I CA 1.023 62.363 61.300 0.067 0.000 1.385 63 I CB -0.180 37.855 38.000 0.058 0.000 1.064 63 I HN -0.011 nan 8.210 nan 0.000 0.414 64 Q N 0.540 120.386 119.800 0.076 0.000 2.084 64 Q HA -0.186 4.153 4.340 -0.001 0.000 0.202 64 Q C 2.469 178.511 176.000 0.070 0.000 0.978 64 Q CA 1.732 57.581 55.803 0.077 0.000 0.844 64 Q CB -0.300 28.487 28.738 0.082 0.000 0.898 64 Q HN 0.581 nan 8.270 nan 0.000 0.426 65 A N 0.919 123.770 122.820 0.051 0.000 1.902 65 A HA -0.159 4.160 4.320 -0.001 0.000 0.217 65 A C 2.032 179.682 177.584 0.109 0.000 1.181 65 A CA 0.917 52.971 52.037 0.030 0.000 0.623 65 A CB -0.668 18.377 19.000 0.074 0.000 0.818 65 A HN 0.345 nan 8.150 nan 0.000 0.443 66 L N -0.860 120.457 121.223 0.158 0.000 2.046 66 L HA -0.203 4.136 4.340 -0.001 0.000 0.208 66 L C 2.842 179.790 176.870 0.131 0.000 1.077 66 L CA 1.921 56.870 54.840 0.182 0.000 0.747 66 L CB -0.384 41.748 42.059 0.120 0.000 0.896 66 L HN 0.554 nan 8.230 nan 0.000 0.432 67 R N -0.524 120.041 120.500 0.107 0.000 2.091 67 R HA -0.271 4.068 4.340 -0.001 0.000 0.238 67 R C 2.363 178.728 176.300 0.108 0.000 1.136 67 R CA 2.095 58.254 56.100 0.097 0.000 0.959 67 R CB -0.522 29.841 30.300 0.104 0.000 0.856 67 R HN 0.297 nan 8.270 nan 0.000 0.437 68 F N 0.887 120.826 119.950 -0.019 0.000 2.075 68 F HA -0.173 4.353 4.527 -0.001 0.000 0.297 68 F C 1.810 177.598 175.800 -0.020 0.000 1.113 68 F CA 2.154 60.134 58.000 -0.033 0.000 1.218 68 F CB -0.471 38.379 39.000 -0.251 0.000 0.984 68 F HN 0.147 nan 8.300 nan 0.000 0.472 69 H N -0.977 118.056 119.070 -0.061 0.000 2.421 69 H HA -0.094 4.461 4.556 -0.001 0.000 0.298 69 H C 2.249 177.477 175.328 -0.168 0.000 1.087 69 H CA 1.381 57.329 56.048 -0.167 0.000 1.330 69 H CB -0.137 29.653 29.762 0.047 0.000 1.388 69 H HN 0.101 nan 8.280 nan 0.000 0.526 70 R N 0.681 121.185 120.500 0.006 0.000 2.073 70 R HA -0.084 4.256 4.340 -0.001 0.000 0.234 70 R C 1.960 178.211 176.300 -0.081 0.000 1.134 70 R CA 1.356 57.447 56.100 -0.015 0.000 0.952 70 R CB -0.096 30.209 30.300 0.009 0.000 0.850 70 R HN 0.321 nan 8.270 nan 0.000 0.433 71 N N 0.203 118.828 118.700 -0.124 0.000 2.120 71 N HA -0.167 4.573 4.740 -0.001 0.000 0.188 71 N C 1.641 177.009 175.510 -0.236 0.000 1.024 71 N CA 1.047 53.985 53.050 -0.187 0.000 0.852 71 N CB -0.330 38.023 38.487 -0.225 0.000 1.003 71 N HN 0.130 nan 8.380 nan 0.000 0.424 72 L N 1.717 122.757 121.223 -0.304 0.000 2.079 72 L HA -0.136 4.204 4.340 -0.001 0.000 0.210 72 L C 2.109 178.905 176.870 -0.125 0.000 1.081 72 L CA 1.692 56.381 54.840 -0.252 0.000 0.752 72 L CB -0.357 41.401 42.059 -0.502 0.000 0.896 72 L HN -0.058 nan 8.230 nan 0.000 0.433 73 K N -0.122 120.216 120.400 -0.103 0.000 2.147 73 K HA -0.106 4.214 4.320 -0.001 0.000 0.205 73 K C 0.800 177.371 176.600 -0.048 0.000 1.049 73 K CA 1.069 57.326 56.287 -0.049 0.000 0.936 73 K CB 0.004 32.486 32.500 -0.031 0.000 0.722 73 K HN 0.260 nan 8.250 nan 0.000 0.446 77 S N 2.627 118.340 115.700 0.022 0.000 2.584 77 S HA 0.417 4.886 4.470 -0.001 0.000 0.273 77 S C -2.157 172.475 174.600 0.054 0.000 1.311 77 S CA -0.919 57.300 58.200 0.032 0.000 1.034 77 S CB 1.405 64.621 63.200 0.025 0.000 0.939 77 S HN 0.044 nan 8.310 nan 0.000 0.513 78 P HA -0.069 nan 4.420 nan 0.000 0.216 78 P C 1.622 178.992 177.300 0.118 0.000 1.153 78 P CA 0.380 63.530 63.100 0.084 0.000 0.848 78 P CB -0.002 31.732 31.700 0.057 0.000 0.787 79 L N 0.334 121.603 121.223 0.077 0.000 2.046 79 L HA -0.166 4.173 4.340 -0.001 0.000 0.208 79 L C 2.236 179.200 176.870 0.157 0.000 1.077 79 L CA 1.918 56.810 54.840 0.087 0.000 0.747 79 L CB -1.262 40.807 42.059 0.016 0.000 0.896 79 L HN -0.032 nan 8.230 nan 0.000 0.432 80 E N -0.550 119.718 120.200 0.113 0.000 2.077 80 E HA -0.258 4.091 4.350 -0.001 0.000 0.193 80 E C 2.075 178.779 176.600 0.172 0.000 0.989 80 E CA 1.254 57.721 56.400 0.110 0.000 0.800 80 E CB -0.007 29.725 29.700 0.054 0.000 0.746 80 E HN 0.538 nan 8.360 nan 0.000 0.452 81 K N -0.408 120.102 120.400 0.184 0.000 2.148 81 K HA -0.181 4.138 4.320 -0.001 0.000 0.204 81 K C 2.111 178.880 176.600 0.281 0.000 1.050 81 K CA 1.335 57.768 56.287 0.243 0.000 0.942 81 K CB -0.305 32.312 32.500 0.196 0.000 0.724 81 K HN 0.260 nan 8.250 nan 0.000 0.446 82 Y N 1.684 122.066 120.300 0.138 0.000 2.163 82 Y HA -0.177 4.372 4.550 -0.001 0.000 0.288 82 Y C 1.871 177.839 175.900 0.113 0.000 1.136 82 Y CA 1.360 59.533 58.100 0.122 0.000 1.147 82 Y CB -0.116 38.401 38.460 0.095 0.000 0.987 82 Y HN -0.097 nan 8.280 nan 0.000 0.509 83 I N -0.646 120.099 120.570 0.292 0.000 2.286 83 I HA -0.322 3.847 4.170 -0.001 0.000 0.248 83 I C 2.151 178.326 176.117 0.097 0.000 1.115 83 I CA 1.641 63.034 61.300 0.155 0.000 1.392 83 I CB -0.589 37.512 38.000 0.168 0.000 1.065 83 I HN 0.332 nan 8.210 nan 0.000 0.418 84 Y N 2.405 122.722 120.300 0.027 0.000 2.153 84 Y HA -0.077 4.473 4.550 -0.001 0.000 0.289 84 Y C 1.518 177.457 175.900 0.065 0.000 1.127 84 Y CA 0.266 58.392 58.100 0.045 0.000 1.131 84 Y CB -0.535 37.972 38.460 0.078 0.000 0.995 84 Y HN 0.125 nan 8.280 nan 0.000 0.505 88 I N 1.390 121.804 120.570 -0.259 0.000 2.286 88 I HA -0.180 3.989 4.170 -0.001 0.000 0.248 88 I C 2.661 178.593 176.117 -0.308 0.000 1.115 88 I CA 1.810 62.981 61.300 -0.214 0.000 1.392 88 I CB -0.046 37.850 38.000 -0.174 0.000 1.065 88 I HN 0.298 nan 8.210 nan 0.000 0.418 89 Q N 1.001 120.369 119.800 -0.720 0.000 2.234 89 Q HA -0.215 4.124 4.340 -0.001 0.000 0.206 89 Q C 1.412 177.143 176.000 -0.448 0.000 0.980 89 Q CA 1.293 56.515 55.803 -0.967 0.000 0.869 89 Q CB 0.175 27.858 28.738 -1.759 0.000 0.912 89 Q HN 0.434 nan 8.270 nan 0.000 0.436 90 E N -0.380 119.616 120.200 -0.339 0.000 2.479 90 E HA 0.049 4.399 4.350 -0.001 0.000 0.193 90 E C 1.009 177.529 176.600 -0.134 0.000 1.049 90 E CA 0.132 56.407 56.400 -0.208 0.000 0.870 90 E CB 0.478 30.060 29.700 -0.198 0.000 0.944 90 E HN 0.395 nan 8.360 nan 0.000 0.492 91 R N -0.193 120.235 120.500 -0.120 0.000 2.320 91 R HA 0.154 4.493 4.340 -0.001 0.000 0.193 91 R C 0.586 176.873 176.300 -0.021 0.000 0.885 91 R CA 0.035 56.100 56.100 -0.057 0.000 1.085 91 R CB 0.516 30.789 30.300 -0.045 0.000 1.253 91 R HN -0.136 nan 8.270 nan 0.000 0.636 92 N N 1.238 119.925 118.700 -0.022 0.000 2.653 92 N HA 0.000 4.740 4.740 -0.001 0.000 0.261 92 N C -0.159 175.389 175.510 0.064 0.000 1.216 92 N CA 0.042 53.114 53.050 0.036 0.000 0.784 92 N CB 1.491 40.010 38.487 0.053 0.000 1.327 92 N HN 0.111 nan 8.380 nan 0.000 0.539 93 E N 2.323 122.579 120.200 0.094 0.000 2.070 93 E HA -0.197 4.152 4.350 -0.001 0.000 0.197 93 E C 0.903 177.709 176.600 0.343 0.000 1.004 93 E CA 1.257 57.769 56.400 0.186 0.000 0.805 93 E CB 0.320 30.140 29.700 0.200 0.000 0.744 93 E HN 0.354 nan 8.360 nan 0.000 0.451 94 K N 0.385 120.969 120.400 0.306 0.000 2.032 94 K HA -0.179 4.140 4.320 -0.001 0.000 0.209 94 K C 2.277 178.902 176.600 0.042 0.000 1.048 94 K CA 0.887 57.309 56.287 0.225 0.000 0.927 94 K CB -0.629 31.886 32.500 0.024 0.000 0.712 94 K HN 0.225 nan 8.250 nan 0.000 0.441 95 L N 0.844 122.068 121.223 0.002 0.000 2.046 95 L HA -0.144 4.196 4.340 -0.001 0.000 0.208 95 L C 2.211 178.998 176.870 -0.138 0.000 1.077 95 L CA 1.414 56.203 54.840 -0.086 0.000 0.747 95 L CB -0.742 41.303 42.059 -0.024 0.000 0.896 95 L HN 0.072 nan 8.230 nan 0.000 0.432 96 F N -0.524 119.269 119.950 -0.261 0.000 2.091 96 F HA -0.308 4.218 4.527 -0.001 0.000 0.299 96 F C 2.101 177.616 175.800 -0.474 0.000 1.103 96 F CA 1.965 59.699 58.000 -0.444 0.000 1.228 96 F CB -0.732 37.968 39.000 -0.501 0.000 0.984 96 F HN 0.176 nan 8.300 nan 0.000 0.477 97 Y N -0.377 119.826 120.300 -0.162 0.000 2.314 97 Y HA -0.140 4.409 4.550 -0.001 0.000 0.293 97 Y C 2.585 178.357 175.900 -0.214 0.000 1.129 97 Y CA 1.207 59.185 58.100 -0.203 0.000 1.201 97 Y CB -0.500 38.059 38.460 0.165 0.000 0.999 97 Y HN 0.001 nan 8.280 nan 0.000 0.541 98 R N 0.934 121.381 120.500 -0.088 0.000 2.083 98 R HA -0.169 4.170 4.340 -0.001 0.000 0.237 98 R C 1.765 177.954 176.300 -0.185 0.000 1.137 98 R CA 1.720 57.736 56.100 -0.140 0.000 0.951 98 R CB -1.049 29.140 30.300 -0.184 0.000 0.851 98 R HN 0.257 nan 8.270 nan 0.000 0.434 99 I N 0.255 120.625 120.570 -0.334 0.000 2.163 99 I HA -0.222 3.948 4.170 -0.001 0.000 0.243 99 I C 1.843 177.765 176.117 -0.325 0.000 1.085 99 I CA 1.138 62.168 61.300 -0.450 0.000 1.347 99 I CB -0.483 36.941 38.000 -0.960 0.000 1.044 99 I HN 0.164 nan 8.210 nan 0.000 0.408 100 L N -0.172 120.796 121.223 -0.425 0.000 2.017 100 L HA -0.241 4.098 4.340 -0.001 0.000 0.208 100 L C 2.531 179.317 176.870 -0.139 0.000 1.073 100 L CA 1.786 56.441 54.840 -0.308 0.000 0.745 100 L CB -1.252 40.560 42.059 -0.410 0.000 0.894 100 L HN 0.413 nan 8.230 nan 0.000 0.432 101 Q N -0.601 119.135 119.800 -0.106 0.000 2.170 101 Q HA -0.238 4.101 4.340 -0.001 0.000 0.203 101 Q C 1.565 177.544 176.000 -0.034 0.000 0.976 101 Q CA 1.688 57.459 55.803 -0.054 0.000 0.858 101 Q CB -0.020 28.693 28.738 -0.042 0.000 0.907 101 Q HN 0.456 nan 8.270 nan 0.000 0.433 102 D N 0.630 121.023 120.400 -0.012 0.000 2.149 102 D HA -0.107 4.532 4.640 -0.001 0.000 0.198 102 D C 0.221 176.531 176.300 0.017 0.000 0.990 102 D CA 1.260 55.281 54.000 0.035 0.000 0.839 102 D CB 0.109 41.012 40.800 0.172 0.000 0.948 102 D HN 0.235 nan 8.370 nan 0.000 0.460 103 D N -0.826 119.591 120.400 0.029 0.000 3.118 103 D HA 0.004 4.643 4.640 -0.001 0.000 0.259 103 D C 0.817 177.124 176.300 0.011 0.000 1.292 103 D CA -0.326 53.685 54.000 0.018 0.000 0.784 103 D CB 0.029 40.848 40.800 0.031 0.000 1.413 103 D HN -0.139 nan 8.370 nan 0.000 0.583 104 I N 1.545 122.104 120.570 -0.019 0.000 2.423 104 I HA -0.155 4.014 4.170 -0.001 0.000 0.254 104 I C 1.937 178.041 176.117 -0.021 0.000 1.151 104 I CA 1.724 63.001 61.300 -0.038 0.000 1.421 104 I CB 0.018 37.979 38.000 -0.066 0.000 1.079 104 I HN 0.383 nan 8.210 nan 0.000 0.431 105 E N -0.268 119.928 120.200 -0.007 0.000 2.107 105 E HA -0.183 4.166 4.350 -0.001 0.000 0.191 105 E C 2.198 178.815 176.600 0.029 0.000 0.982 105 E CA 1.355 57.760 56.400 0.008 0.000 0.809 105 E CB -0.153 29.556 29.700 0.016 0.000 0.756 105 E HN 0.624 nan 8.360 nan 0.000 0.459 106 S N 0.020 115.743 115.700 0.038 0.000 2.436 106 S HA 0.047 4.516 4.470 -0.001 0.000 0.228 106 S C 1.152 175.796 174.600 0.073 0.000 1.014 106 S CA 0.005 58.238 58.200 0.056 0.000 0.950 106 S CB -0.206 63.030 63.200 0.060 0.000 0.784 106 S HN 0.128 nan 8.310 nan 0.000 0.504 110 I N -0.216 120.440 120.570 0.142 0.000 2.429 110 I HA 0.032 4.201 4.170 -0.001 0.000 0.247 110 I C 1.926 178.219 176.117 0.294 0.000 1.099 110 I CA 0.913 62.328 61.300 0.192 0.000 1.422 110 I CB -0.699 37.413 38.000 0.187 0.000 1.112 110 I HN -0.106 nan 8.210 nan 0.000 0.430 111 V N -0.644 119.428 119.914 0.264 0.000 3.406 111 V HA -0.036 4.083 4.120 -0.001 0.000 0.263 111 V C 0.848 177.176 176.094 0.390 0.000 1.172 111 V CA 0.656 63.148 62.300 0.320 0.000 1.140 111 V CB -0.074 31.857 31.823 0.180 0.000 0.784 111 V HN 0.314 nan 8.190 nan 0.000 0.467 112 Y N -0.135 120.246 120.300 0.136 0.000 3.224 112 Y HA 0.490 5.040 4.550 -0.001 0.000 0.301 112 Y C 0.746 176.679 175.900 0.056 0.000 1.663 112 Y CA -0.536 57.623 58.100 0.099 0.000 0.995 112 Y CB 1.071 39.577 38.460 0.078 0.000 1.381 112 Y HN -0.105 nan 8.280 nan 0.000 0.643 113 T N 4.160 118.492 114.554 -0.369 0.000 2.930 113 T HA 0.195 4.545 4.350 -0.001 0.000 0.306 113 T C -1.858 172.773 174.700 -0.115 0.000 1.045 113 T CA -1.222 60.699 62.100 -0.297 0.000 1.134 113 T CB 0.658 69.270 68.868 -0.428 0.000 0.961 113 T HN 0.488 nan 8.240 nan 0.000 0.545 114 P HA 0.090 nan 4.420 nan 0.000 0.234 114 P C 1.325 178.573 177.300 -0.088 0.000 1.175 114 P CA 0.415 63.446 63.100 -0.115 0.000 0.801 114 P CB 0.109 31.744 31.700 -0.108 0.000 0.891 115 T N 0.576 115.103 114.554 -0.044 0.000 2.803 115 T HA -0.114 4.235 4.350 -0.001 0.000 0.269 115 T C 1.849 176.469 174.700 -0.133 0.000 1.052 115 T CA 1.129 63.197 62.100 -0.053 0.000 1.136 115 T CB -1.033 67.851 68.868 0.027 0.000 0.864 115 T HN -0.080 nan 8.240 nan 0.000 0.467 116 V N 1.525 121.393 119.914 -0.076 0.000 2.490 116 V HA -0.065 4.055 4.120 -0.001 0.000 0.250 116 V C 2.518 178.518 176.094 -0.157 0.000 1.061 116 V CA 2.196 64.434 62.300 -0.103 0.000 1.064 116 V CB -1.015 30.840 31.823 0.053 0.000 0.670 116 V HN 0.576 nan 8.190 nan 0.000 0.461 117 G N -0.368 108.350 108.800 -0.138 0.000 2.408 117 G HA2 -0.231 3.728 3.960 -0.001 0.000 0.217 117 G HA3 -0.231 3.728 3.960 -0.001 0.000 0.217 117 G C 1.485 176.312 174.900 -0.121 0.000 1.150 117 G CA 1.044 46.070 45.100 -0.123 0.000 0.776 117 G HN 0.499 nan 8.290 nan 0.000 0.542 118 L N 1.376 122.517 121.223 -0.137 0.000 2.056 118 L HA 0.231 4.570 4.340 -0.001 0.000 0.207 118 L C 3.026 179.792 176.870 -0.174 0.000 1.078 118 L CA 1.989 56.750 54.840 -0.132 0.000 0.749 118 L CB -0.837 41.150 42.059 -0.120 0.000 0.901 118 L HN 0.223 nan 8.230 nan 0.000 0.433 119 A N -1.255 121.389 122.820 -0.293 0.000 1.877 119 A HA -0.250 4.069 4.320 -0.001 0.000 0.216 119 A C 2.429 179.954 177.584 -0.099 0.000 1.186 119 A CA 1.890 53.722 52.037 -0.341 0.000 0.620 119 A CB -1.497 16.958 19.000 -0.908 0.000 0.822 119 A HN 0.611 nan 8.150 nan 0.000 0.443 120 C N 0.108 119.327 119.300 -0.135 0.000 2.413 120 C HA -0.120 4.339 4.460 -0.001 0.000 0.276 120 C C 3.347 178.333 174.990 -0.007 0.000 1.236 120 C CA 1.601 60.538 59.018 -0.135 0.000 1.735 120 C CB -1.289 26.361 27.740 -0.150 0.000 2.031 120 C HN 0.798 nan 8.230 nan 0.000 0.474 121 S N -0.258 115.442 115.700 0.001 0.000 2.500 121 S HA -0.162 4.308 4.470 -0.001 0.000 0.239 121 S C 1.265 175.882 174.600 0.028 0.000 0.989 121 S CA 1.217 59.466 58.200 0.081 0.000 0.951 121 S CB -0.479 62.729 63.200 0.014 0.000 0.759 121 S HN 0.815 nan 8.310 nan 0.000 0.523 122 Q N -1.421 118.308 119.800 -0.118 0.000 2.139 122 Q HA 0.306 4.645 4.340 -0.001 0.000 0.219 122 Q C 0.281 176.144 176.000 -0.228 0.000 0.805 122 Q CA -0.399 55.256 55.803 -0.247 0.000 1.024 122 Q CB 0.115 28.714 28.738 -0.231 0.000 1.163 122 Q HN 0.473 nan 8.270 nan 0.000 0.485 123 Y N 1.009 120.965 120.300 -0.573 0.000 2.102 123 Y HA -0.267 4.282 4.550 -0.001 0.000 0.280 123 Y C 2.229 177.906 175.900 -0.372 0.000 1.178 123 Y CA 2.294 60.108 58.100 -0.478 0.000 1.146 123 Y CB -0.413 37.760 38.460 -0.479 0.000 0.968 123 Y HN 0.263 nan 8.280 nan 0.000 0.504 124 G N -2.607 105.847 108.800 -0.577 0.000 2.471 124 G HA2 -0.229 3.730 3.960 -0.001 0.000 0.219 124 G HA3 -0.229 3.730 3.960 -0.001 0.000 0.219 124 G C 1.104 176.013 174.900 0.016 0.000 1.125 124 G CA 0.988 46.082 45.100 -0.010 0.000 0.775 124 G HN 0.469 nan 8.290 nan 0.000 0.548 125 H N 0.096 119.051 119.070 -0.192 0.000 2.448 125 H HA 0.129 4.684 4.556 -0.001 0.000 0.292 125 H C 2.404 177.602 175.328 -0.216 0.000 1.035 125 H CA 0.959 56.831 56.048 -0.294 0.000 1.349 125 H CB -0.024 29.627 29.762 -0.185 0.000 1.425 125 H HN 0.533 nan 8.280 nan 0.000 0.539 126 I N -2.773 117.789 120.570 -0.014 0.000 3.956 126 I HA 0.147 4.316 4.170 -0.001 0.000 0.333 126 I C 0.107 176.180 176.117 -0.073 0.000 1.302 126 I CA -0.344 60.933 61.300 -0.038 0.000 1.122 126 I CB -0.259 37.734 38.000 -0.011 0.000 1.013 126 I HN -0.117 nan 8.210 nan 0.000 0.405 127 F N 3.347 123.160 119.950 -0.229 0.000 2.623 127 F HA 0.084 4.610 4.527 -0.001 0.000 0.383 127 F C 1.124 176.831 175.800 -0.155 0.000 1.077 127 F CA 0.744 58.598 58.000 -0.244 0.000 1.268 127 F CB 0.491 39.362 39.000 -0.216 0.000 1.053 127 F HN 0.046 nan 8.300 nan 0.000 0.571 128 R N 3.308 123.181 120.500 -1.046 0.000 2.622 128 R HA 0.315 4.654 4.340 -0.001 0.000 0.180 128 R C -0.270 175.437 176.300 -0.987 0.000 0.813 128 R CA -0.483 55.172 56.100 -0.740 0.000 1.049 128 R CB 0.561 30.638 30.300 -0.372 0.000 1.438 128 R HN 0.484 nan 8.270 nan 0.000 0.636 129 R N 1.466 121.364 120.500 -1.004 0.000 2.673 129 R HA 0.384 4.723 4.340 -0.001 0.000 0.281 129 R C -2.719 173.337 176.300 -0.406 0.000 0.991 129 R CA -1.772 53.971 56.100 -0.594 0.000 0.896 129 R CB 2.549 32.678 30.300 -0.286 0.000 1.201 129 R HN -0.006 nan 8.270 nan 0.000 0.457 130 P HA 0.250 nan 4.420 nan 0.000 0.277 130 P C -1.352 176.099 177.300 0.252 0.000 1.240 130 P CA -0.441 62.849 63.100 0.318 0.000 0.798 130 P CB 1.221 33.170 31.700 0.415 0.000 0.979 131 K N 1.047 121.649 120.400 0.336 0.000 2.443 131 K HA 0.632 4.951 4.320 -0.001 0.000 0.252 131 K C -0.093 176.607 176.600 0.167 0.000 0.933 131 K CA -0.555 55.865 56.287 0.220 0.000 0.792 131 K CB 2.089 34.664 32.500 0.125 0.000 1.185 131 K HN 0.916 nan 8.250 nan 0.000 0.425 132 G N 1.540 110.452 108.800 0.188 0.000 2.710 132 G HA2 -0.201 3.759 3.960 -0.001 0.000 0.668 132 G HA3 -0.201 3.759 3.960 -0.001 0.000 0.668 132 G C -1.348 173.459 174.900 -0.156 0.000 1.320 132 G CA -1.020 43.998 45.100 -0.137 0.000 0.860 132 G HN 0.447 nan 8.290 nan 0.000 0.538 133 L N -0.291 120.664 121.223 -0.447 0.000 2.309 133 L HA 0.742 5.082 4.340 -0.001 0.000 0.282 133 L C -0.549 176.088 176.870 -0.389 0.000 1.036 133 L CA -0.816 53.883 54.840 -0.236 0.000 0.806 133 L CB 1.068 42.967 42.059 -0.266 0.000 1.220 133 L HN 0.439 nan 8.230 nan 0.000 0.429 134 F N 4.825 124.770 119.950 -0.008 0.000 2.449 134 F HA 0.493 5.020 4.527 -0.001 0.000 0.342 134 F C 0.001 175.784 175.800 -0.029 0.000 1.127 134 F CA -0.433 57.546 58.000 -0.034 0.000 0.975 134 F CB 1.286 40.278 39.000 -0.013 0.000 1.146 134 F HN 0.154 nan 8.300 nan 0.000 0.444 135 I N 3.197 123.813 120.570 0.077 0.000 2.410 135 I HA 0.348 4.517 4.170 -0.001 0.000 0.286 135 I C -0.242 175.898 176.117 0.039 0.000 1.009 135 I CA -0.408 60.919 61.300 0.046 0.000 1.111 135 I CB 1.634 39.622 38.000 -0.019 0.000 1.262 135 I HN 0.623 nan 8.210 nan 0.000 0.443 136 S N 5.091 120.828 115.700 0.061 0.000 2.681 136 S HA 0.407 4.876 4.470 -0.001 0.000 0.299 136 S C 0.761 175.400 174.600 0.065 0.000 1.113 136 S CA -0.716 57.517 58.200 0.055 0.000 1.013 136 S CB 1.975 65.202 63.200 0.045 0.000 1.076 136 S HN 0.585 nan 8.310 nan 0.000 0.534 137 I N 1.796 122.411 120.570 0.076 0.000 2.567 137 I HA -0.078 4.091 4.170 -0.001 0.000 0.257 137 I C 1.963 178.129 176.117 0.082 0.000 1.184 137 I CA 1.406 62.760 61.300 0.090 0.000 1.451 137 I CB -0.753 37.314 38.000 0.111 0.000 1.089 137 I HN 0.735 nan 8.210 nan 0.000 0.441 138 S N 0.195 115.939 115.700 0.073 0.000 2.515 138 S HA -0.047 4.422 4.470 -0.001 0.000 0.231 138 S C 1.201 175.855 174.600 0.091 0.000 0.987 138 S CA 0.877 59.120 58.200 0.072 0.000 0.936 138 S CB -0.336 62.895 63.200 0.053 0.000 0.766 138 S HN 0.539 nan 8.310 nan 0.000 0.528 139 D N 1.573 122.033 120.400 0.099 0.000 2.340 139 D HA 0.022 4.661 4.640 -0.001 0.000 0.217 139 D C 0.573 176.969 176.300 0.161 0.000 1.081 139 D CA -0.058 54.025 54.000 0.138 0.000 0.842 139 D CB 0.100 40.968 40.800 0.113 0.000 0.934 139 D HN 0.529 nan 8.370 nan 0.000 0.511 140 R N 0.224 120.793 120.500 0.114 0.000 2.537 140 R HA 0.197 4.537 4.340 -0.001 0.000 0.281 140 R C 0.923 177.235 176.300 0.020 0.000 0.988 140 R CA 0.978 57.119 56.100 0.068 0.000 1.077 140 R CB -0.020 30.316 30.300 0.060 0.000 0.932 140 R HN 0.015 nan 8.270 nan 0.000 0.409 141 G N 1.913 110.669 108.800 -0.072 0.000 2.175 141 G HA2 -0.243 3.716 3.960 -0.001 0.000 0.244 141 G HA3 -0.243 3.716 3.960 -0.001 0.000 0.244 141 G C 0.200 174.779 174.900 -0.536 0.000 0.982 141 G CA 0.257 45.190 45.100 -0.278 0.000 0.641 141 G HN 0.822 nan 8.290 nan 0.000 0.527 142 H N -0.967 118.120 119.070 0.029 0.000 2.985 142 H HA 0.295 4.851 4.556 -0.001 0.000 0.246 142 H C 1.806 177.154 175.328 0.033 0.000 1.181 142 H CA 0.445 56.510 56.048 0.028 0.000 0.972 142 H CB 0.316 30.096 29.762 0.030 0.000 2.016 142 H HN 0.227 nan 8.280 nan 0.000 0.672 143 V N 0.734 120.707 119.914 0.098 0.000 2.490 143 V HA -0.232 3.887 4.120 -0.001 0.000 0.250 143 V C 2.742 178.878 176.094 0.070 0.000 1.061 143 V CA 1.779 64.133 62.300 0.090 0.000 1.064 143 V CB -0.238 31.631 31.823 0.077 0.000 0.670 143 V HN 0.173 nan 8.190 nan 0.000 0.461 144 R N 1.840 122.365 120.500 0.041 0.000 2.081 144 R HA -0.136 4.203 4.340 -0.001 0.000 0.235 144 R C 2.539 178.863 176.300 0.041 0.000 1.131 144 R CA 2.044 58.154 56.100 0.017 0.000 0.960 144 R CB -0.977 29.321 30.300 -0.004 0.000 0.856 144 R HN 0.667 nan 8.270 nan 0.000 0.436 145 S N -0.509 115.235 115.700 0.074 0.000 2.399 145 S HA -0.091 4.378 4.470 -0.001 0.000 0.231 145 S C 2.131 176.782 174.600 0.085 0.000 1.022 145 S CA 1.231 59.477 58.200 0.077 0.000 0.983 145 S CB -0.463 62.794 63.200 0.096 0.000 0.803 145 S HN 0.362 nan 8.310 nan 0.000 0.480 146 I N 1.101 121.731 120.570 0.100 0.000 2.233 146 I HA -0.095 4.075 4.170 -0.001 0.000 0.243 146 I C 2.448 178.647 176.117 0.137 0.000 1.093 146 I CA 0.890 62.261 61.300 0.118 0.000 1.380 146 I CB -0.347 37.726 38.000 0.120 0.000 1.067 146 I HN 0.205 nan 8.210 nan 0.000 0.413 147 V N 0.748 120.728 119.914 0.109 0.000 2.469 147 V HA -0.297 3.823 4.120 -0.001 0.000 0.251 147 V C 1.794 177.968 176.094 0.133 0.000 1.064 147 V CA 1.856 64.223 62.300 0.112 0.000 1.066 147 V CB -0.648 31.195 31.823 0.034 0.000 0.667 147 V HN 0.412 nan 8.190 nan 0.000 0.461 148 D N -0.116 120.333 120.400 0.081 0.000 2.312 148 D HA -0.078 4.561 4.640 -0.001 0.000 0.211 148 D C 1.810 178.179 176.300 0.116 0.000 0.964 148 D CA 0.557 54.596 54.000 0.066 0.000 0.877 148 D CB -0.261 40.556 40.800 0.029 0.000 0.924 148 D HN 0.392 nan 8.370 nan 0.000 0.515 149 N N -0.206 118.586 118.700 0.153 0.000 2.463 149 N HA -0.086 4.653 4.740 -0.001 0.000 0.181 149 N C 0.335 175.974 175.510 0.215 0.000 1.078 149 N CA 0.004 53.146 53.050 0.152 0.000 0.902 149 N CB 0.080 38.653 38.487 0.143 0.000 0.970 149 N HN 0.366 nan 8.380 nan 0.000 0.451 150 W N 2.975 124.324 121.300 0.081 0.000 2.308 150 W HA 0.064 4.723 4.660 -0.001 0.000 0.324 150 W C -1.671 174.906 176.519 0.096 0.000 1.387 150 W CA -1.343 56.059 57.345 0.095 0.000 1.250 150 W CB 0.964 30.507 29.460 0.138 0.000 1.257 150 W HN 0.076 nan 8.180 nan 0.000 0.554 151 P HA -0.197 nan 4.420 nan 0.000 0.215 151 P C -0.020 177.171 177.300 -0.182 0.000 1.153 151 P CA 1.663 64.579 63.100 -0.307 0.000 0.853 151 P CB 0.148 31.584 31.700 -0.440 0.000 0.788 152 E N 0.075 120.114 120.200 -0.269 0.000 2.360 152 E HA 0.053 4.402 4.350 -0.001 0.000 0.269 152 E C 0.702 177.504 176.600 0.337 0.000 1.022 152 E CA 0.099 56.538 56.400 0.065 0.000 0.887 152 E CB 0.134 29.907 29.700 0.123 0.000 0.990 152 E HN 0.206 nan 8.360 nan 0.000 0.426 153 N N 0.860 119.731 118.700 0.284 0.000 2.405 153 N HA -0.083 4.656 4.740 -0.001 0.000 0.175 153 N C 0.239 176.053 175.510 0.507 0.000 1.051 153 N CA 0.415 53.685 53.050 0.366 0.000 0.899 153 N CB 0.352 38.949 38.487 0.183 0.000 1.000 153 N HN 0.494 nan 8.380 nan 0.000 0.451 154 H N 0.901 120.109 119.070 0.231 0.000 2.429 154 H HA 0.280 4.836 4.556 -0.001 0.000 0.237 154 H C -0.674 174.643 175.328 -0.019 0.000 1.378 154 H CA -0.362 55.782 56.048 0.158 0.000 1.170 154 H CB 0.278 30.100 29.762 0.099 0.000 1.671 154 H HN -0.243 nan 8.280 nan 0.000 0.541 155 V N 3.055 122.810 119.914 -0.265 0.000 2.585 155 V HA -0.056 4.063 4.120 -0.001 0.000 0.296 155 V C 0.927 176.815 176.094 -0.343 0.000 1.035 155 V CA 0.624 62.583 62.300 -0.568 0.000 1.084 155 V CB 1.237 32.278 31.823 -1.303 0.000 0.953 155 V HN 0.665 nan 8.190 nan 0.000 0.483 156 K N 3.159 123.398 120.400 -0.268 0.000 2.425 156 K HA 0.423 4.742 4.320 -0.001 0.000 0.201 156 K C 0.237 176.785 176.600 -0.087 0.000 1.128 156 K CA 0.461 56.653 56.287 -0.158 0.000 1.000 156 K CB 1.490 33.888 32.500 -0.170 0.000 0.961 156 K HN 0.670 nan 8.250 nan 0.000 0.555 157 A N 1.294 124.036 122.820 -0.128 0.000 2.408 157 A HA 0.593 4.912 4.320 -0.001 0.000 0.295 157 A C -1.012 176.440 177.584 -0.220 0.000 1.040 157 A CA -0.532 51.458 52.037 -0.078 0.000 0.707 157 A CB 1.663 20.701 19.000 0.064 0.000 1.235 157 A HN -0.097 nan 8.150 nan 0.000 0.418 158 V N 2.289 122.086 119.914 -0.194 0.000 2.604 158 V HA 0.604 4.723 4.120 -0.001 0.000 0.305 158 V C -0.579 175.357 176.094 -0.264 0.000 1.043 158 V CA -0.569 61.577 62.300 -0.256 0.000 0.888 158 V CB 1.902 33.609 31.823 -0.194 0.000 0.995 158 V HN 0.706 nan 8.190 nan 0.000 0.429 159 V N 4.995 124.710 119.914 -0.331 0.000 2.444 159 V HA 0.593 4.712 4.120 -0.001 0.000 0.294 159 V C -0.487 175.411 176.094 -0.327 0.000 1.022 159 V CA -0.530 61.574 62.300 -0.327 0.000 0.850 159 V CB 1.941 33.546 31.823 -0.363 0.000 0.992 159 V HN 0.614 nan 8.190 nan 0.000 0.426 160 V N 4.747 124.459 119.914 -0.338 0.000 2.823 160 V HA 0.880 4.999 4.120 -0.001 0.000 0.312 160 V C -0.408 175.557 176.094 -0.214 0.000 1.072 160 V CA 0.121 62.196 62.300 -0.374 0.000 0.937 160 V CB 2.594 34.072 31.823 -0.575 0.000 1.013 160 V HN 0.971 nan 8.190 nan 0.000 0.430 161 T N 2.469 116.834 114.554 -0.314 0.000 2.868 161 T HA 0.436 4.785 4.350 -0.001 0.000 0.306 161 T C -0.516 173.802 174.700 -0.637 0.000 1.224 161 T CA 0.121 61.940 62.100 -0.469 0.000 1.012 161 T CB 1.749 70.422 68.868 -0.325 0.000 1.221 161 T HN 0.921 nan 8.240 nan 0.000 0.499 162 D N 0.608 120.439 120.400 -0.947 0.000 2.433 162 D HA 0.227 4.866 4.640 -0.001 0.000 0.211 162 D C 1.421 177.524 176.300 -0.329 0.000 1.114 162 D CA 0.654 54.330 54.000 -0.541 0.000 0.837 162 D CB -0.262 40.260 40.800 -0.463 0.000 0.984 162 D HN 1.092 nan 8.370 nan 0.000 0.505 163 G N 1.494 110.092 108.800 -0.335 0.000 2.166 163 G HA2 -0.428 3.532 3.960 -0.001 0.000 0.260 163 G HA3 -0.428 3.532 3.960 -0.001 0.000 0.260 163 G C 0.765 175.577 174.900 -0.147 0.000 0.986 163 G CA 0.725 45.710 45.100 -0.192 0.000 0.683 163 G HN 0.515 nan 8.290 nan 0.000 0.527 164 E N -0.366 119.732 120.200 -0.171 0.000 2.208 164 E HA 0.011 4.360 4.350 -0.001 0.000 0.193 164 E C 1.612 178.168 176.600 -0.074 0.000 0.988 164 E CA 0.469 56.805 56.400 -0.106 0.000 0.828 164 E CB 0.041 29.688 29.700 -0.088 0.000 0.763 164 E HN 0.352 nan 8.360 nan 0.000 0.478 165 R N 1.350 121.804 120.500 -0.076 0.000 2.644 165 R HA 0.175 4.514 4.340 -0.001 0.000 0.271 165 R C -1.138 175.127 176.300 -0.058 0.000 1.687 165 R CA -0.474 55.597 56.100 -0.048 0.000 1.655 165 R CB 0.236 30.526 30.300 -0.017 0.000 1.285 165 R HN 0.088 nan 8.270 nan 0.000 0.643 166 I N 5.457 125.986 120.570 -0.068 0.000 2.421 166 I HA 0.047 4.216 4.170 -0.001 0.000 0.291 166 I C 1.579 177.656 176.117 -0.066 0.000 1.089 166 I CA 0.367 61.623 61.300 -0.073 0.000 1.354 166 I CB -0.325 37.629 38.000 -0.077 0.000 1.413 166 I HN 0.618 nan 8.210 nan 0.000 0.513 167 L N 5.244 126.426 121.223 -0.068 0.000 6.328 167 L HA -0.313 4.027 4.340 -0.001 0.000 0.053 167 L C 1.427 178.263 176.870 -0.055 0.000 2.032 167 L CA 1.417 56.214 54.840 -0.070 0.000 1.701 167 L CB -1.487 40.515 42.059 -0.095 0.000 2.706 167 L HN 0.710 nan 8.230 nan 0.000 1.012 168 G N -1.102 107.664 108.800 -0.057 0.000 3.502 168 G HA2 0.415 4.375 3.960 -0.001 0.000 0.267 168 G HA3 0.415 4.375 3.960 -0.001 0.000 0.267 168 G C 0.619 175.492 174.900 -0.045 0.000 1.090 168 G CA -0.166 44.905 45.100 -0.047 0.000 0.795 168 G HN 0.193 nan 8.290 nan 0.000 0.535 169 L N 0.322 121.516 121.223 -0.048 0.000 2.558 169 L HA 0.348 4.687 4.340 -0.001 0.000 0.225 169 L C 1.759 178.606 176.870 -0.038 0.000 1.128 169 L CA 0.696 55.511 54.840 -0.041 0.000 0.868 169 L CB -0.858 41.175 42.059 -0.043 0.000 1.006 169 L HN 0.398 nan 8.230 nan 0.000 0.454 170 G N -0.216 108.559 108.800 -0.040 0.000 2.527 170 G HA2 -0.273 3.687 3.960 -0.001 0.000 0.227 170 G HA3 -0.273 3.687 3.960 -0.001 0.000 0.227 170 G C -0.445 174.426 174.900 -0.048 0.000 1.291 170 G CA -0.097 44.979 45.100 -0.041 0.000 0.904 170 G HN 0.226 nan 8.290 nan 0.000 0.577 171 D N 0.874 121.242 120.400 -0.054 0.000 2.336 171 D HA 0.481 5.120 4.640 -0.001 0.000 0.249 171 D C 1.300 177.558 176.300 -0.070 0.000 1.213 171 D CA -0.167 53.793 54.000 -0.067 0.000 0.870 171 D CB 0.340 41.096 40.800 -0.075 0.000 1.076 171 D HN 0.434 nan 8.370 nan 0.000 0.483 172 L N 3.326 124.517 121.223 -0.053 0.000 2.906 172 L HA 0.325 4.665 4.340 -0.001 0.000 0.255 172 L C 1.606 178.478 176.870 0.003 0.000 1.166 172 L CA -0.134 54.692 54.840 -0.022 0.000 0.977 172 L CB -0.156 41.933 42.059 0.048 0.000 1.313 172 L HN 0.682 nan 8.230 nan 0.000 0.549 173 G N 0.916 109.707 108.800 -0.016 0.000 2.594 173 G HA2 -0.359 3.601 3.960 -0.001 0.000 0.297 173 G HA3 -0.359 3.601 3.960 -0.001 0.000 0.297 173 G C 0.812 175.769 174.900 0.096 0.000 1.273 173 G CA 0.237 45.375 45.100 0.064 0.000 0.974 173 G HN -0.090 nan 8.290 nan 0.000 0.552 174 V N 0.530 120.527 119.914 0.139 0.000 2.867 174 V HA -0.149 3.971 4.120 -0.001 0.000 0.260 174 V C 2.283 178.527 176.094 0.249 0.000 1.099 174 V CA 2.558 64.926 62.300 0.114 0.000 1.122 174 V CB -0.876 30.933 31.823 -0.025 0.000 0.708 174 V HN 0.546 nan 8.190 nan 0.000 0.490 175 Y N 0.704 121.070 120.300 0.110 0.000 2.569 175 Y HA -0.021 4.528 4.550 -0.001 0.000 0.293 175 Y C 1.943 177.692 175.900 -0.252 0.000 1.144 175 Y CA -0.180 57.945 58.100 0.041 0.000 1.321 175 Y CB -0.134 38.412 38.460 0.143 0.000 0.982 175 Y HN 0.442 nan 8.280 nan 0.000 0.558 179 I N 1.836 122.332 120.570 -0.124 0.000 2.162 179 I HA 0.015 4.185 4.170 -0.001 0.000 0.238 179 I C -0.251 175.837 176.117 -0.049 0.000 1.076 179 I CA 1.137 62.405 61.300 -0.054 0.000 1.353 179 I CB -1.619 36.328 38.000 -0.088 0.000 1.063 179 I HN -0.006 nan 8.210 nan 0.000 0.408 180 P HA -0.093 nan 4.420 nan 0.000 0.216 180 P C 2.228 179.457 177.300 -0.119 0.000 1.150 180 P CA 1.052 64.055 63.100 -0.161 0.000 0.837 180 P CB 0.099 31.660 31.700 -0.232 0.000 0.786 181 V N -0.106 119.770 119.914 -0.063 0.000 2.295 181 V HA -0.196 3.923 4.120 -0.001 0.000 0.246 181 V C 2.559 178.689 176.094 0.059 0.000 1.049 181 V CA 2.592 64.890 62.300 -0.003 0.000 1.024 181 V CB -1.824 30.038 31.823 0.066 0.000 0.648 181 V HN 0.181 nan 8.190 nan 0.000 0.447 182 G N -0.717 108.153 108.800 0.116 0.000 2.418 182 G HA2 -0.274 3.685 3.960 -0.001 0.000 0.217 182 G HA3 -0.274 3.685 3.960 -0.001 0.000 0.217 182 G C 1.626 176.633 174.900 0.178 0.000 1.158 182 G CA 0.994 46.213 45.100 0.198 0.000 0.771 182 G HN 0.396 nan 8.290 nan 0.000 0.545 183 K N 0.209 120.685 120.400 0.127 0.000 2.032 183 K HA 0.076 4.395 4.320 -0.001 0.000 0.209 183 K C 2.490 179.194 176.600 0.173 0.000 1.048 183 K CA 0.853 57.208 56.287 0.112 0.000 0.927 183 K CB -0.576 31.854 32.500 -0.117 0.000 0.712 183 K HN 0.325 nan 8.250 nan 0.000 0.441 184 L N -0.208 120.991 121.223 -0.041 0.000 2.191 184 L HA -0.242 4.097 4.340 -0.001 0.000 0.212 184 L C 2.293 179.246 176.870 0.139 0.000 1.103 184 L CA 0.813 55.577 54.840 -0.127 0.000 0.769 184 L CB -0.385 41.523 42.059 -0.251 0.000 0.908 184 L HN 0.283 nan 8.230 nan 0.000 0.438 185 C N -0.197 119.227 119.300 0.207 0.000 2.425 185 C HA -0.136 4.323 4.460 -0.001 0.000 0.277 185 C C 2.676 177.853 174.990 0.312 0.000 1.280 185 C CA 0.451 59.681 59.018 0.353 0.000 1.744 185 C CB -0.777 27.160 27.740 0.330 0.000 1.989 185 C HN 0.451 nan 8.230 nan 0.000 0.491 186 L N -1.104 120.262 121.223 0.237 0.000 2.156 186 L HA -0.123 4.216 4.340 -0.001 0.000 0.208 186 L C 2.481 179.471 176.870 0.200 0.000 1.095 186 L CA 1.290 56.218 54.840 0.146 0.000 0.770 186 L CB -0.713 41.388 42.059 0.070 0.000 0.914 186 L HN 0.278 nan 8.230 nan 0.000 0.439 187 Y N 0.816 121.193 120.300 0.128 0.000 2.081 187 Y HA -0.306 4.243 4.550 -0.001 0.000 0.280 187 Y C 2.880 178.757 175.900 -0.038 0.000 1.163 187 Y CA 2.052 60.200 58.100 0.080 0.000 1.135 187 Y CB -0.954 37.544 38.460 0.064 0.000 0.970 187 Y HN 0.128 nan 8.280 nan 0.000 0.498 188 T N -0.472 114.126 114.554 0.073 0.000 2.732 188 T HA -0.107 4.242 4.350 -0.001 0.000 0.261 188 T C 2.194 176.827 174.700 -0.112 0.000 1.040 188 T CA 1.263 63.241 62.100 -0.204 0.000 1.145 188 T CB -0.736 67.669 68.868 -0.770 0.000 0.866 188 T HN 0.384 nan 8.240 nan 0.000 0.427 189 A N 0.466 123.312 122.820 0.044 0.000 1.908 189 A HA -0.127 4.192 4.320 -0.001 0.000 0.218 189 A C 2.609 180.191 177.584 -0.004 0.000 1.181 189 A CA 1.656 53.749 52.037 0.094 0.000 0.627 189 A CB -1.165 17.900 19.000 0.108 0.000 0.818 189 A HN 0.643 nan 8.150 nan 0.000 0.445 190 C N -2.256 117.015 119.300 -0.048 0.000 2.524 190 C HA 0.459 4.918 4.460 -0.001 0.000 0.284 190 C C 2.820 177.752 174.990 -0.096 0.000 1.346 190 C CA 0.552 59.506 59.018 -0.106 0.000 1.739 190 C CB -0.566 27.056 27.740 -0.197 0.000 2.119 190 C HN 0.684 nan 8.230 nan 0.000 0.501 191 A N -0.617 122.150 122.820 -0.089 0.000 2.431 191 A HA 0.505 4.825 4.320 -0.001 0.000 0.239 191 A C 1.513 179.074 177.584 -0.039 0.000 1.230 191 A CA 0.976 52.964 52.037 -0.082 0.000 0.928 191 A CB -0.505 18.418 19.000 -0.128 0.000 1.006 191 A HN 1.161 nan 8.150 nan 0.000 0.520 192 G N 0.068 108.862 108.800 -0.009 0.000 2.198 192 G HA2 -0.233 3.726 3.960 -0.001 0.000 0.260 192 G HA3 -0.233 3.726 3.960 -0.001 0.000 0.260 192 G C 0.065 174.994 174.900 0.048 0.000 1.025 192 G CA 0.398 45.534 45.100 0.061 0.000 0.769 192 G HN 0.487 nan 8.290 nan 0.000 0.507 193 I N 0.421 120.975 120.570 -0.026 0.000 2.529 193 I HA 0.187 4.356 4.170 -0.001 0.000 0.284 193 I C 1.392 177.390 176.117 -0.198 0.000 1.082 193 I CA -0.603 60.671 61.300 -0.043 0.000 1.406 193 I CB 0.577 38.606 38.000 0.048 0.000 1.405 193 I HN 0.101 nan 8.210 nan 0.000 0.548 194 R N 8.133 128.499 120.500 -0.224 0.000 2.480 194 R HA 0.025 4.364 4.340 -0.001 0.000 0.303 194 R C -1.349 174.637 176.300 -0.522 0.000 0.985 194 R CA -0.977 54.820 56.100 -0.505 0.000 1.051 194 R CB 0.116 30.263 30.300 -0.255 0.000 0.935 194 R HN 0.462 nan 8.270 nan 0.000 0.410 195 P HA -0.245 nan 4.420 nan 0.000 0.216 195 P C 0.421 177.579 177.300 -0.238 0.000 1.153 195 P CA 1.497 64.308 63.100 -0.482 0.000 0.858 195 P CB 0.081 31.442 31.700 -0.564 0.000 0.789 196 D N -0.729 119.538 120.400 -0.222 0.000 2.371 196 D HA -0.133 4.506 4.640 -0.001 0.000 0.221 196 D C 1.332 177.599 176.300 -0.054 0.000 0.986 196 D CA 0.554 54.507 54.000 -0.079 0.000 0.899 196 D CB -0.390 40.382 40.800 -0.047 0.000 0.902 196 D HN 0.156 nan 8.370 nan 0.000 0.530 197 R N -0.154 120.268 120.500 -0.131 0.000 2.393 197 R HA 0.216 4.555 4.340 -0.001 0.000 0.244 197 R C -0.109 176.085 176.300 -0.177 0.000 0.920 197 R CA -0.189 55.816 56.100 -0.159 0.000 1.076 197 R CB -0.035 30.145 30.300 -0.201 0.000 1.119 197 R HN 0.157 nan 8.270 nan 0.000 0.524 198 C N 1.304 120.514 119.300 -0.150 0.000 2.376 198 C HA 0.623 5.082 4.460 -0.001 0.000 0.335 198 C C -0.197 174.669 174.990 -0.206 0.000 1.229 198 C CA -0.974 57.921 59.018 -0.205 0.000 1.867 198 C CB 1.226 28.837 27.740 -0.215 0.000 2.319 198 C HN 0.281 nan 8.230 nan 0.000 0.515 199 L N 5.310 126.324 121.223 -0.350 0.000 2.446 199 L HA 0.559 4.898 4.340 -0.001 0.000 0.268 199 L C -2.836 173.743 176.870 -0.484 0.000 0.975 199 L CA -1.549 52.977 54.840 -0.524 0.000 0.848 199 L CB 1.540 43.171 42.059 -0.714 0.000 1.225 199 L HN 0.402 nan 8.230 nan 0.000 0.410 200 P HA 0.450 nan 4.420 nan 0.000 0.285 200 P C -1.357 175.664 177.300 -0.465 0.000 1.259 200 P CA -0.299 62.572 63.100 -0.382 0.000 0.794 200 P CB 1.615 33.153 31.700 -0.270 0.000 0.940 201 V N 3.090 122.743 119.914 -0.435 0.000 2.760 201 V HA 0.403 4.522 4.120 -0.001 0.000 0.309 201 V C -0.583 175.226 176.094 -0.476 0.000 1.077 201 V CA -0.515 61.500 62.300 -0.474 0.000 0.910 201 V CB 2.359 33.925 31.823 -0.428 0.000 1.008 201 V HN 0.665 nan 8.190 nan 0.000 0.424 202 C N 6.639 125.640 119.300 -0.499 0.000 2.340 202 C HA 0.660 5.119 4.460 -0.001 0.000 0.323 202 C C -0.522 174.305 174.990 -0.272 0.000 1.260 202 C CA -0.511 58.282 59.018 -0.376 0.000 1.464 202 C CB -0.021 27.524 27.740 -0.325 0.000 2.156 202 C HN 0.730 nan 8.230 nan 0.000 0.476 203 I N 5.426 125.835 120.570 -0.268 0.000 2.297 203 I HA 0.267 4.436 4.170 -0.001 0.000 0.291 203 I C -0.017 176.062 176.117 -0.064 0.000 1.033 203 I CA 0.424 61.615 61.300 -0.182 0.000 1.253 203 I CB 1.025 38.910 38.000 -0.193 0.000 1.396 203 I HN 0.701 nan 8.210 nan 0.000 0.476 204 D N 6.660 127.060 120.400 0.000 0.000 2.427 204 D HA 0.299 4.938 4.640 -0.001 0.000 0.226 204 D C 0.478 176.814 176.300 0.061 0.000 1.076 204 D CA -0.370 53.648 54.000 0.030 0.000 0.849 204 D CB 1.208 42.027 40.800 0.032 0.000 1.052 204 D HN 0.327 nan 8.370 nan 0.000 0.515 205 V N 1.710 121.673 119.914 0.081 0.000 3.070 205 V HA 0.736 4.855 4.120 -0.001 0.000 0.345 205 V C 0.743 176.872 176.094 0.059 0.000 1.403 205 V CA 0.360 62.725 62.300 0.108 0.000 1.155 205 V CB -0.326 31.630 31.823 0.221 0.000 1.140 205 V HN 0.728 nan 8.190 nan 0.000 0.505 206 G N -0.126 108.700 108.800 0.043 0.000 2.525 206 G HA2 0.261 4.221 3.960 -0.001 0.000 0.685 206 G HA3 0.261 4.221 3.960 -0.001 0.000 0.685 206 G C -0.477 174.421 174.900 -0.003 0.000 1.290 206 G CA -0.011 45.106 45.100 0.028 0.000 0.915 206 G HN 1.287 nan 8.290 nan 0.000 0.548 207 T N -1.380 113.147 114.554 -0.045 0.000 2.894 207 T HA 0.607 4.956 4.350 -0.001 0.000 0.309 207 T C -0.622 174.012 174.700 -0.109 0.000 1.208 207 T CA 0.163 62.204 62.100 -0.097 0.000 1.016 207 T CB 1.811 70.572 68.868 -0.179 0.000 1.192 207 T HN 0.415 nan 8.240 nan 0.000 0.491 208 D N 1.872 122.211 120.400 -0.102 0.000 2.363 208 D HA 0.121 4.761 4.640 -0.001 0.000 0.214 208 D C 0.237 176.478 176.300 -0.098 0.000 1.093 208 D CA -0.019 53.930 54.000 -0.085 0.000 0.837 208 D CB 0.233 40.995 40.800 -0.065 0.000 0.948 208 D HN 0.415 nan 8.370 nan 0.000 0.507 209 N N 2.169 120.786 118.700 -0.139 0.000 2.402 209 N HA -0.018 4.722 4.740 -0.001 0.000 0.259 209 N C 1.267 176.684 175.510 -0.156 0.000 1.167 209 N CA -0.211 52.752 53.050 -0.144 0.000 0.949 209 N CB 0.462 38.840 38.487 -0.182 0.000 1.212 209 N HN -0.094 nan 8.380 nan 0.000 0.493 210 I N 2.637 123.147 120.570 -0.100 0.000 2.335 210 I HA -0.252 3.917 4.170 -0.001 0.000 0.251 210 I C 2.148 178.216 176.117 -0.080 0.000 1.129 210 I CA 0.873 62.125 61.300 -0.080 0.000 1.402 210 I CB -1.654 36.316 38.000 -0.050 0.000 1.069 210 I HN 0.517 nan 8.210 nan 0.000 0.424 211 A N 0.958 123.731 122.820 -0.078 0.000 1.933 211 A HA -0.120 4.199 4.320 -0.001 0.000 0.218 211 A C 2.392 179.930 177.584 -0.077 0.000 1.175 211 A CA 1.173 53.180 52.037 -0.050 0.000 0.628 211 A CB -0.687 18.299 19.000 -0.024 0.000 0.814 211 A HN 0.425 nan 8.150 nan 0.000 0.444 212 L N -0.816 120.286 121.223 -0.202 0.000 2.156 212 L HA -0.051 4.289 4.340 -0.001 0.000 0.208 212 L C 2.195 178.852 176.870 -0.355 0.000 1.095 212 L CA 0.566 55.170 54.840 -0.393 0.000 0.770 212 L CB -0.499 41.067 42.059 -0.821 0.000 0.914 212 L HN 0.322 nan 8.230 nan 0.000 0.439 213 L N -0.030 121.049 121.223 -0.239 0.000 2.456 213 L HA -0.145 4.195 4.340 -0.001 0.000 0.224 213 L C 1.774 178.706 176.870 0.104 0.000 1.148 213 L CA 1.111 55.946 54.840 -0.008 0.000 0.825 213 L CB -0.235 41.807 42.059 -0.028 0.000 0.937 213 L HN 0.279 nan 8.230 nan 0.000 0.450 214 K N -1.454 118.964 120.400 0.029 0.000 2.374 214 K HA 0.101 4.421 4.320 -0.001 0.000 0.202 214 K C -0.026 176.592 176.600 0.031 0.000 1.040 214 K CA -0.220 56.071 56.287 0.005 0.000 1.085 214 K CB 0.476 32.967 32.500 -0.015 0.000 0.873 214 K HN -0.028 nan 8.250 nan 0.000 0.539 215 D N 2.749 123.216 120.400 0.111 0.000 2.316 215 D HA 0.062 4.701 4.640 -0.001 0.000 0.245 215 D C -1.461 174.931 176.300 0.154 0.000 1.171 215 D CA -2.268 51.823 54.000 0.150 0.000 0.856 215 D CB 1.530 42.480 40.800 0.250 0.000 1.090 215 D HN -0.059 nan 8.370 nan 0.000 0.476 216 P HA -0.084 nan 4.420 nan 0.000 0.226 216 P C 0.844 178.013 177.300 -0.218 0.000 1.153 216 P CA 0.571 63.521 63.100 -0.251 0.000 0.777 216 P CB 0.052 31.438 31.700 -0.524 0.000 0.794 217 F N -2.252 117.787 119.950 0.149 0.000 2.749 217 F HA 0.192 4.718 4.527 -0.001 0.000 0.300 217 F C 1.679 177.646 175.800 0.279 0.000 1.103 217 F CA -1.279 56.793 58.000 0.120 0.000 1.342 217 F CB -1.226 37.745 39.000 -0.049 0.000 1.098 217 F HN -0.143 nan 8.300 nan 0.000 0.586 221 L N 0.412 121.530 121.223 -0.175 0.000 2.416 221 L HA 0.272 4.612 4.340 -0.001 0.000 0.272 221 L C -0.394 176.467 176.870 -0.015 0.000 1.161 221 L CA -0.393 54.411 54.840 -0.060 0.000 0.845 221 L CB 0.553 42.620 42.059 0.015 0.000 1.119 221 L HN 0.496 nan 8.230 nan 0.000 0.464 222 Y N 3.311 123.679 120.300 0.114 0.000 2.570 222 Y HA 0.161 4.710 4.550 -0.001 0.000 0.336 222 Y C 0.505 176.425 175.900 0.035 0.000 1.284 222 Y CA -0.241 57.911 58.100 0.087 0.000 1.761 222 Y CB -0.113 38.380 38.460 0.054 0.000 1.724 222 Y HN 0.533 nan 8.280 nan 0.000 0.455 223 Q N -0.265 119.605 119.800 0.116 0.000 2.522 223 Q HA 0.464 4.803 4.340 -0.001 0.000 0.285 223 Q C -1.370 174.644 176.000 0.023 0.000 0.982 223 Q CA -1.432 54.412 55.803 0.068 0.000 0.805 223 Q CB 1.520 30.296 28.738 0.064 0.000 1.457 223 Q HN 0.002 nan 8.270 nan 0.000 0.394 224 K N 1.231 121.637 120.400 0.010 0.000 2.219 224 K HA 0.271 4.590 4.320 -0.001 0.000 0.258 224 K C -0.198 176.395 176.600 -0.012 0.000 1.008 224 K CA -0.359 55.919 56.287 -0.014 0.000 0.928 224 K CB 0.460 32.952 32.500 -0.013 0.000 0.983 224 K HN 0.556 nan 8.250 nan 0.000 0.484 225 R N 1.810 122.290 120.500 -0.034 0.000 2.502 225 R HA -0.070 4.269 4.340 -0.001 0.000 0.292 225 R C 0.239 176.519 176.300 -0.034 0.000 0.998 225 R CA 0.167 56.240 56.100 -0.045 0.000 1.056 225 R CB 0.202 30.448 30.300 -0.089 0.000 0.939 225 R HN 0.477 nan 8.270 nan 0.000 0.411 226 D N 3.143 123.540 120.400 -0.005 0.000 2.338 226 D HA 0.003 4.642 4.640 -0.001 0.000 0.255 226 D C 0.085 176.384 176.300 -0.002 0.000 1.237 226 D CA 0.174 54.194 54.000 0.034 0.000 0.883 226 D CB 0.654 41.513 40.800 0.099 0.000 1.087 226 D HN 0.437 nan 8.370 nan 0.000 0.485 227 R N 2.179 122.680 120.500 0.000 0.000 2.546 227 R HA 0.107 4.447 4.340 -0.001 0.000 0.320 227 R C 0.832 177.184 176.300 0.088 0.000 1.021 227 R CA -0.281 55.812 56.100 -0.011 0.000 1.088 227 R CB 0.649 30.929 30.300 -0.034 0.000 1.278 227 R HN 0.491 nan 8.270 nan 0.000 0.557 228 T N -2.548 112.080 114.554 0.122 0.000 2.793 228 T HA -0.002 4.348 4.350 -0.001 0.000 0.299 228 T C 1.217 176.032 174.700 0.191 0.000 1.038 228 T CA -0.493 61.685 62.100 0.131 0.000 0.948 228 T CB 1.021 69.951 68.868 0.103 0.000 1.231 228 T HN -0.085 nan 8.240 nan 0.000 0.538 229 Q N -0.285 119.607 119.800 0.154 0.000 2.364 229 Q HA -0.058 4.281 4.340 -0.001 0.000 0.209 229 Q C 2.304 178.404 176.000 0.166 0.000 0.977 229 Q CA 1.489 57.389 55.803 0.160 0.000 0.885 229 Q CB -0.588 28.218 28.738 0.113 0.000 0.941 229 Q HN 0.759 nan 8.270 nan 0.000 0.464 230 Q N -1.478 118.417 119.800 0.159 0.000 2.226 230 Q HA -0.196 4.143 4.340 -0.001 0.000 0.204 230 Q C 1.367 177.478 176.000 0.185 0.000 0.975 230 Q CA 1.315 57.205 55.803 0.144 0.000 0.866 230 Q CB -0.166 28.648 28.738 0.126 0.000 0.915 230 Q HN 0.550 nan 8.270 nan 0.000 0.440 231 Y N 1.658 122.036 120.300 0.131 0.000 2.163 231 Y HA -0.193 4.356 4.550 -0.001 0.000 0.288 231 Y C 1.238 177.271 175.900 0.223 0.000 1.136 231 Y CA 1.919 60.121 58.100 0.169 0.000 1.147 231 Y CB -0.164 38.410 38.460 0.190 0.000 0.987 231 Y HN 0.066 nan 8.280 nan 0.000 0.509 232 D N 0.100 120.597 120.400 0.161 0.000 2.144 232 D HA -0.178 4.461 4.640 -0.001 0.000 0.199 232 D C 1.629 177.962 176.300 0.054 0.000 0.984 232 D CA 1.729 55.812 54.000 0.139 0.000 0.834 232 D CB -0.135 40.813 40.800 0.246 0.000 0.955 232 D HN 0.390 nan 8.370 nan 0.000 0.465 233 D N -0.136 120.305 120.400 0.069 0.000 2.117 233 D HA -0.099 4.540 4.640 -0.001 0.000 0.198 233 D C 1.987 178.297 176.300 0.016 0.000 0.982 233 D CA 0.321 54.353 54.000 0.054 0.000 0.828 233 D CB -0.306 40.531 40.800 0.062 0.000 0.967 233 D HN 0.120 nan 8.370 nan 0.000 0.464 234 L N 0.898 122.117 121.223 -0.007 0.000 2.017 234 L HA -0.143 4.196 4.340 -0.001 0.000 0.208 234 L C 2.067 178.902 176.870 -0.057 0.000 1.073 234 L CA 1.271 56.099 54.840 -0.019 0.000 0.745 234 L CB -0.393 41.661 42.059 -0.009 0.000 0.894 234 L HN -0.023 nan 8.230 nan 0.000 0.432 235 I N -0.413 120.049 120.570 -0.181 0.000 2.264 235 I HA -0.292 3.878 4.170 -0.001 0.000 0.248 235 I C 2.227 178.283 176.117 -0.102 0.000 1.111 235 I CA 1.652 62.816 61.300 -0.228 0.000 1.382 235 I CB -1.268 36.369 38.000 -0.604 0.000 1.060 235 I HN 0.390 nan 8.210 nan 0.000 0.418 236 D N 0.608 120.989 120.400 -0.031 0.000 2.117 236 D HA -0.214 4.425 4.640 -0.001 0.000 0.198 236 D C 2.226 178.505 176.300 -0.035 0.000 0.982 236 D CA 1.074 55.092 54.000 0.030 0.000 0.828 236 D CB 0.079 40.960 40.800 0.135 0.000 0.967 236 D HN 0.277 nan 8.370 nan 0.000 0.464 237 E N -1.146 119.050 120.200 -0.007 0.000 2.118 237 E HA -0.150 4.199 4.350 -0.001 0.000 0.195 237 E C 0.732 177.307 176.600 -0.041 0.000 0.992 237 E CA 0.179 56.572 56.400 -0.013 0.000 0.804 237 E CB -0.100 29.606 29.700 0.009 0.000 0.741 237 E HN 0.280 nan 8.360 nan 0.000 0.458 241 A N 2.458 125.149 122.820 -0.216 0.000 1.933 241 A HA -0.030 4.289 4.320 -0.001 0.000 0.218 241 A C 2.006 179.451 177.584 -0.232 0.000 1.175 241 A CA 1.284 53.214 52.037 -0.179 0.000 0.628 241 A CB -0.341 18.584 19.000 -0.125 0.000 0.814 241 A HN 0.287 nan 8.150 nan 0.000 0.444 242 I N 0.719 121.050 120.570 -0.398 0.000 2.163 242 I HA -0.178 3.991 4.170 -0.001 0.000 0.240 242 I C 2.857 178.882 176.117 -0.153 0.000 1.081 242 I CA 2.312 63.419 61.300 -0.321 0.000 1.353 242 I CB -1.464 36.154 38.000 -0.637 0.000 1.054 242 I HN 0.565 nan 8.210 nan 0.000 0.407 243 T N -2.071 112.378 114.554 -0.174 0.000 2.867 243 T HA -0.144 4.205 4.350 -0.001 0.000 0.268 243 T C 1.540 176.225 174.700 -0.026 0.000 1.057 243 T CA 1.220 63.302 62.100 -0.030 0.000 1.136 243 T CB -0.364 68.561 68.868 0.094 0.000 0.874 243 T HN 0.123 nan 8.240 nan 0.000 0.466 244 D N 1.151 121.510 120.400 -0.068 0.000 2.144 244 D HA -0.027 4.612 4.640 -0.001 0.000 0.199 244 D C 2.244 178.477 176.300 -0.113 0.000 0.984 244 D CA 0.936 54.894 54.000 -0.070 0.000 0.834 244 D CB -0.233 40.523 40.800 -0.074 0.000 0.955 244 D HN 0.491 nan 8.370 nan 0.000 0.465 245 R N -1.063 119.317 120.500 -0.200 0.000 2.090 245 R HA -0.008 4.331 4.340 -0.001 0.000 0.219 245 R C 1.402 177.462 176.300 -0.401 0.000 1.100 245 R CA 0.684 56.566 56.100 -0.363 0.000 0.991 245 R CB -0.005 29.933 30.300 -0.603 0.000 0.893 245 R HN 0.237 nan 8.270 nan 0.000 0.443 246 Y N -0.559 119.737 120.300 -0.007 0.000 2.449 246 Y HA 0.378 4.927 4.550 -0.001 0.000 0.254 246 Y C 0.567 176.490 175.900 0.039 0.000 1.140 246 Y CA 0.151 58.269 58.100 0.030 0.000 1.272 246 Y CB 1.554 40.025 38.460 0.018 0.000 1.114 246 Y HN 0.329 nan 8.280 nan 0.000 0.525 247 G N 0.446 109.317 108.800 0.118 0.000 2.465 247 G HA2 -0.151 3.808 3.960 -0.001 0.000 0.681 247 G HA3 -0.151 3.808 3.960 -0.001 0.000 0.681 247 G C -0.283 174.660 174.900 0.072 0.000 1.340 247 G CA -0.640 44.513 45.100 0.089 0.000 0.884 247 G HN 0.097 nan 8.290 nan 0.000 0.650 248 R N 0.744 121.271 120.500 0.045 0.000 2.189 248 R HA -0.020 4.320 4.340 -0.001 0.000 0.218 248 R C 2.104 178.423 176.300 0.031 0.000 1.074 248 R CA 1.967 58.092 56.100 0.042 0.000 0.991 248 R CB -0.040 30.249 30.300 -0.018 0.000 0.883 248 R HN 0.610 nan 8.270 nan 0.000 0.457 249 N N -0.854 117.858 118.700 0.019 0.000 2.268 249 N HA -0.025 4.715 4.740 -0.001 0.000 0.204 249 N C -0.775 174.761 175.510 0.043 0.000 1.124 249 N CA 0.028 53.081 53.050 0.005 0.000 0.838 249 N CB 0.054 38.541 38.487 0.000 0.000 0.994 249 N HN -0.117 nan 8.380 nan 0.000 0.489 250 T N 2.027 116.615 114.554 0.057 0.000 2.867 250 T HA 0.050 4.399 4.350 -0.001 0.000 0.297 250 T C 0.475 175.202 174.700 0.044 0.000 0.989 250 T CA -0.367 61.757 62.100 0.040 0.000 1.159 250 T CB 0.926 69.810 68.868 0.027 0.000 0.928 250 T HN 0.231 nan 8.240 nan 0.000 0.538 251 L N 5.064 126.324 121.223 0.061 0.000 2.462 251 L HA 0.336 4.676 4.340 -0.001 0.000 0.272 251 L C -0.437 176.488 176.870 0.092 0.000 1.166 251 L CA 0.059 54.977 54.840 0.130 0.000 0.880 251 L CB 0.137 42.309 42.059 0.188 0.000 1.142 251 L HN 0.648 nan 8.230 nan 0.000 0.473 252 I N 5.608 126.252 120.570 0.123 0.000 2.448 252 I HA 0.213 4.382 4.170 -0.001 0.000 0.281 252 I C -0.353 175.780 176.117 0.027 0.000 1.027 252 I CA -0.349 60.963 61.300 0.020 0.000 1.111 252 I CB 1.737 39.714 38.000 -0.038 0.000 1.236 252 I HN 0.596 nan 8.210 nan 0.000 0.452 253 Q N 6.182 125.907 119.800 -0.125 0.000 2.331 253 Q HA 0.409 4.748 4.340 -0.001 0.000 0.257 253 Q C -1.386 174.432 176.000 -0.304 0.000 0.957 253 Q CA -0.637 54.932 55.803 -0.389 0.000 0.923 253 Q CB 0.979 29.494 28.738 -0.372 0.000 1.212 253 Q HN 0.410 nan 8.270 nan 0.000 0.443 254 F N 2.718 122.449 119.950 -0.364 0.000 2.427 254 F HA 0.267 4.793 4.527 -0.001 0.000 0.352 254 F C 0.347 176.079 175.800 -0.115 0.000 1.100 254 F CA -0.200 57.695 58.000 -0.174 0.000 1.191 254 F CB 1.251 40.074 39.000 -0.295 0.000 1.128 254 F HN 0.542 nan 8.300 nan 0.000 0.533 255 E N 1.788 122.103 120.200 0.191 0.000 2.275 255 E HA 0.329 4.678 4.350 -0.001 0.000 0.270 255 E C -1.228 175.437 176.600 0.108 0.000 0.882 255 E CA -0.552 55.889 56.400 0.069 0.000 0.758 255 E CB 0.903 30.552 29.700 -0.086 0.000 1.195 255 E HN 0.490 nan 8.360 nan 0.000 0.419 256 D N 2.346 122.789 120.400 0.073 0.000 2.699 256 D HA -0.225 4.414 4.640 -0.001 0.000 0.239 256 D C -0.880 175.415 176.300 -0.008 0.000 1.136 256 D CA 0.931 54.936 54.000 0.009 0.000 0.668 256 D CB -1.448 39.309 40.800 -0.073 0.000 1.060 256 D HN 0.233 nan 8.370 nan 0.000 0.429 257 F N 0.551 120.509 119.950 0.013 0.000 2.378 257 F HA 0.551 5.077 4.527 -0.001 0.000 0.325 257 F C 1.954 177.760 175.800 0.010 0.000 1.097 257 F CA 0.113 58.151 58.000 0.064 0.000 1.079 257 F CB 0.796 39.896 39.000 0.166 0.000 1.240 257 F HN -0.026 nan 8.300 nan 0.000 0.519 258 G N 1.114 110.022 108.800 0.179 0.000 2.664 258 G HA2 -0.080 3.879 3.960 -0.001 0.000 0.242 258 G HA3 -0.080 3.879 3.960 -0.001 0.000 0.242 258 G C 0.918 175.881 174.900 0.106 0.000 1.225 258 G CA -0.332 44.826 45.100 0.098 0.000 0.849 258 G HN 0.771 nan 8.290 nan 0.000 0.581 259 N N -0.339 118.422 118.700 0.102 0.000 2.104 259 N HA -0.230 4.509 4.740 -0.001 0.000 0.190 259 N C 1.798 177.448 175.510 0.234 0.000 1.024 259 N CA 1.831 54.974 53.050 0.154 0.000 0.853 259 N CB -0.242 38.344 38.487 0.164 0.000 1.008 259 N HN 0.722 nan 8.380 nan 0.000 0.424 260 H N 0.933 120.048 119.070 0.076 0.000 2.299 260 H HA 0.063 4.618 4.556 -0.001 0.000 0.302 260 H C 1.658 176.965 175.328 -0.036 0.000 1.078 260 H CA 2.334 58.410 56.048 0.046 0.000 1.323 260 H CB -0.591 29.172 29.762 0.001 0.000 1.381 260 H HN 0.384 nan 8.280 nan 0.000 0.498 261 N N -0.118 118.441 118.700 -0.236 0.000 2.166 261 N HA -0.137 4.602 4.740 -0.001 0.000 0.186 261 N C 2.048 177.243 175.510 -0.525 0.000 1.019 261 N CA 0.749 53.464 53.050 -0.559 0.000 0.856 261 N CB -0.130 38.281 38.487 -0.127 0.000 0.993 261 N HN 0.448 nan 8.380 nan 0.000 0.426 262 A N 1.047 123.737 122.820 -0.216 0.000 1.892 262 A HA -0.168 4.151 4.320 -0.001 0.000 0.218 262 A C 1.834 179.128 177.584 -0.485 0.000 1.188 262 A CA 1.372 53.216 52.037 -0.321 0.000 0.631 262 A CB -0.932 17.874 19.000 -0.323 0.000 0.822 262 A HN 0.226 nan 8.150 nan 0.000 0.447 263 F N -0.725 119.042 119.950 -0.305 0.000 2.113 263 F HA -0.066 4.460 4.527 -0.001 0.000 0.297 263 F C 2.499 178.151 175.800 -0.246 0.000 1.103 263 F CA 1.709 59.507 58.000 -0.337 0.000 1.248 263 F CB -0.333 38.365 39.000 -0.502 0.000 0.999 263 F HN 0.168 nan 8.300 nan 0.000 0.475 264 R N 0.162 120.586 120.500 -0.126 0.000 2.091 264 R HA -0.189 4.151 4.340 -0.001 0.000 0.238 264 R C 2.193 178.379 176.300 -0.189 0.000 1.136 264 R CA 1.828 57.812 56.100 -0.194 0.000 0.959 264 R CB -0.692 29.358 30.300 -0.417 0.000 0.856 264 R HN 0.291 nan 8.270 nan 0.000 0.437 265 F N -0.075 119.686 119.950 -0.315 0.000 2.206 265 F HA -0.156 4.370 4.527 -0.001 0.000 0.298 265 F C 2.174 177.699 175.800 -0.458 0.000 1.090 265 F CA 0.039 57.774 58.000 -0.441 0.000 1.323 265 F CB -0.132 38.510 39.000 -0.597 0.000 1.028 265 F HN 0.144 nan 8.300 nan 0.000 0.492 266 L N 0.917 121.984 121.223 -0.260 0.000 2.046 266 L HA -0.167 4.172 4.340 -0.001 0.000 0.208 266 L C 2.415 179.262 176.870 -0.038 0.000 1.077 266 L CA 1.706 56.427 54.840 -0.198 0.000 0.747 266 L CB -0.707 41.226 42.059 -0.209 0.000 0.896 266 L HN -0.033 nan 8.230 nan 0.000 0.432 267 R N -0.395 120.099 120.500 -0.010 0.000 2.092 267 R HA -0.190 4.149 4.340 -0.001 0.000 0.231 267 R C 2.452 178.741 176.300 -0.019 0.000 1.119 267 R CA 1.666 57.792 56.100 0.044 0.000 0.970 267 R CB -0.233 30.135 30.300 0.113 0.000 0.864 267 R HN 0.410 nan 8.270 nan 0.000 0.440 268 K N -0.750 119.572 120.400 -0.131 0.000 2.155 268 K HA -0.150 4.169 4.320 -0.001 0.000 0.203 268 K C 0.991 177.444 176.600 -0.245 0.000 1.052 268 K CA 1.389 57.510 56.287 -0.277 0.000 0.948 268 K CB 0.083 32.257 32.500 -0.542 0.000 0.728 268 K HN 0.338 nan 8.250 nan 0.000 0.448 269 Y N -0.004 120.354 120.300 0.098 0.000 2.462 269 Y HA 0.114 4.663 4.550 -0.001 0.000 0.253 269 Y C 1.997 178.029 175.900 0.220 0.000 1.095 269 Y CA -0.290 57.928 58.100 0.197 0.000 1.283 269 Y CB 0.351 38.922 38.460 0.185 0.000 1.138 269 Y HN 0.029 nan 8.280 nan 0.000 0.522 270 R N 0.674 121.339 120.500 0.276 0.000 2.200 270 R HA -0.141 4.198 4.340 -0.001 0.000 0.234 270 R C 0.675 177.135 176.300 0.267 0.000 1.127 270 R CA 1.698 57.960 56.100 0.271 0.000 0.989 270 R CB -0.236 30.184 30.300 0.200 0.000 0.869 270 R HN 0.203 nan 8.270 nan 0.000 0.459 271 E N 0.450 120.740 120.200 0.149 0.000 2.476 271 E HA 0.045 4.394 4.350 -0.001 0.000 0.199 271 E C 0.985 177.539 176.600 -0.077 0.000 1.021 271 E CA 0.333 56.687 56.400 -0.077 0.000 0.907 271 E CB 0.624 30.262 29.700 -0.105 0.000 0.974 271 E HN 0.432 nan 8.360 nan 0.000 0.489 272 K N -0.645 119.841 120.400 0.143 0.000 2.313 272 K HA 0.098 4.417 4.320 -0.001 0.000 0.197 272 K C -0.083 176.411 176.600 -0.177 0.000 1.061 272 K CA 0.421 56.688 56.287 -0.032 0.000 0.980 272 K CB 0.618 33.076 32.500 -0.071 0.000 0.888 272 K HN -0.092 nan 8.250 nan 0.000 0.502 273 Y N -1.603 118.864 120.300 0.278 0.000 2.698 273 Y HA 0.299 4.848 4.550 -0.001 0.000 0.332 273 Y C -0.647 175.318 175.900 0.108 0.000 1.119 273 Y CA -1.363 56.809 58.100 0.121 0.000 1.109 273 Y CB 1.052 39.540 38.460 0.048 0.000 1.308 273 Y HN -0.203 nan 8.280 nan 0.000 0.499 274 C N 2.057 121.482 119.300 0.208 0.000 2.158 274 C HA 0.659 5.118 4.460 -0.001 0.000 0.350 274 C C -0.028 175.119 174.990 0.260 0.000 1.064 274 C CA 0.220 59.328 59.018 0.150 0.000 1.507 274 C CB -2.134 25.647 27.740 0.068 0.000 1.934 274 C HN 0.683 nan 8.230 nan 0.000 0.479 275 T N 4.556 119.317 114.554 0.344 0.000 2.883 275 T HA 0.803 5.153 4.350 -0.001 0.000 0.301 275 T C -1.088 173.906 174.700 0.490 0.000 1.158 275 T CA -0.351 61.984 62.100 0.392 0.000 1.007 275 T CB 1.260 70.343 68.868 0.360 0.000 1.186 275 T HN 0.844 nan 8.240 nan 0.000 0.499 276 F N 1.511 121.621 119.950 0.267 0.000 2.713 276 F HA 0.656 5.183 4.527 -0.001 0.000 0.311 276 F C -1.411 174.485 175.800 0.161 0.000 1.141 276 F CA -1.149 56.981 58.000 0.217 0.000 0.939 276 F CB 1.399 40.624 39.000 0.375 0.000 1.325 276 F HN 0.466 nan 8.300 nan 0.000 0.453 277 N N 1.978 120.653 118.700 -0.043 0.000 2.446 277 N HA 0.139 4.878 4.740 -0.001 0.000 0.265 277 N C -0.205 175.238 175.510 -0.113 0.000 0.975 277 N CA -0.138 52.798 53.050 -0.190 0.000 0.928 277 N CB 1.611 39.971 38.487 -0.213 0.000 1.160 277 N HN 0.948 nan 8.380 nan 0.000 0.495 278 D N 2.366 122.649 120.400 -0.195 0.000 2.149 278 D HA -0.134 4.505 4.640 -0.001 0.000 0.198 278 D C 0.685 177.022 176.300 0.061 0.000 0.990 278 D CA 1.388 55.421 54.000 0.055 0.000 0.839 278 D CB 0.407 41.177 40.800 -0.049 0.000 0.948 278 D HN 0.564 nan 8.370 nan 0.000 0.460 279 D N -0.639 119.749 120.400 -0.021 0.000 2.234 279 D HA -0.040 4.599 4.640 -0.001 0.000 0.205 279 D C 2.150 178.408 176.300 -0.070 0.000 0.962 279 D CA 0.486 54.470 54.000 -0.027 0.000 0.855 279 D CB 0.351 41.123 40.800 -0.046 0.000 0.951 279 D HN 0.386 nan 8.370 nan 0.000 0.500 280 I N 0.353 120.834 120.570 -0.148 0.000 2.556 280 I HA -0.139 4.030 4.170 -0.001 0.000 0.251 280 I C 2.235 178.260 176.117 -0.153 0.000 1.105 280 I CA 0.661 61.848 61.300 -0.188 0.000 1.436 280 I CB 0.038 37.832 38.000 -0.343 0.000 1.139 280 I HN -0.177 nan 8.210 nan 0.000 0.438 281 Q N 0.465 120.126 119.800 -0.232 0.000 2.259 281 Q HA 0.074 4.413 4.340 -0.001 0.000 0.201 281 Q C 2.266 178.014 176.000 -0.419 0.000 0.938 281 Q CA 1.052 56.542 55.803 -0.521 0.000 0.872 281 Q CB -0.125 27.938 28.738 -1.125 0.000 0.971 281 Q HN 0.524 nan 8.270 nan 0.000 0.494 282 G N 0.424 109.180 108.800 -0.074 0.000 2.404 282 G HA2 -0.222 3.738 3.960 -0.001 0.000 0.215 282 G HA3 -0.222 3.738 3.960 -0.001 0.000 0.215 282 G C 1.402 176.419 174.900 0.196 0.000 1.174 282 G CA 1.337 46.573 45.100 0.226 0.000 0.780 282 G HN 0.227 nan 8.290 nan 0.000 0.537 283 T N 1.756 116.395 114.554 0.143 0.000 2.788 283 T HA 0.024 4.373 4.350 -0.001 0.000 0.268 283 T C 2.803 177.585 174.700 0.136 0.000 1.044 283 T CA 1.433 63.617 62.100 0.141 0.000 1.139 283 T CB -0.370 68.560 68.868 0.103 0.000 0.867 283 T HN 0.371 nan 8.240 nan 0.000 0.454 284 A N 1.609 124.478 122.820 0.082 0.000 1.892 284 A HA 0.023 4.342 4.320 -0.001 0.000 0.218 284 A C 2.647 180.317 177.584 0.143 0.000 1.188 284 A CA 2.055 54.147 52.037 0.092 0.000 0.631 284 A CB -1.169 17.844 19.000 0.022 0.000 0.822 284 A HN 0.526 nan 8.150 nan 0.000 0.447 285 A N -0.684 122.234 122.820 0.162 0.000 1.898 285 A HA 0.056 4.375 4.320 -0.001 0.000 0.216 285 A C 2.216 179.928 177.584 0.214 0.000 1.181 285 A CA 1.764 53.928 52.037 0.212 0.000 0.620 285 A CB -0.875 18.309 19.000 0.307 0.000 0.819 285 A HN 0.485 nan 8.150 nan 0.000 0.442 286 V N -0.094 119.956 119.914 0.227 0.000 2.358 286 V HA -0.190 3.929 4.120 -0.001 0.000 0.246 286 V C 2.993 179.294 176.094 0.346 0.000 1.047 286 V CA 1.735 64.190 62.300 0.258 0.000 1.035 286 V CB -1.519 30.406 31.823 0.169 0.000 0.658 286 V HN 0.576 nan 8.190 nan 0.000 0.452 287 A N 0.429 123.430 122.820 0.301 0.000 1.865 287 A HA -0.226 4.093 4.320 -0.001 0.000 0.217 287 A C 2.210 179.987 177.584 0.320 0.000 1.191 287 A CA 2.260 54.527 52.037 0.383 0.000 0.623 287 A CB -0.717 18.477 19.000 0.324 0.000 0.826 287 A HN 0.447 nan 8.150 nan 0.000 0.444 288 L N -0.125 121.225 121.223 0.212 0.000 2.042 288 L HA -0.140 4.200 4.340 -0.001 0.000 0.210 288 L C 2.704 179.640 176.870 0.109 0.000 1.076 288 L CA 2.335 57.256 54.840 0.135 0.000 0.749 288 L CB -0.846 41.283 42.059 0.118 0.000 0.893 288 L HN 0.379 nan 8.230 nan 0.000 0.432 289 A N -0.638 122.263 122.820 0.134 0.000 1.948 289 A HA -0.153 4.167 4.320 -0.001 0.000 0.220 289 A C 2.337 179.865 177.584 -0.094 0.000 1.177 289 A CA 1.786 53.854 52.037 0.052 0.000 0.636 289 A CB -1.582 17.491 19.000 0.122 0.000 0.815 289 A HN 0.561 nan 8.150 nan 0.000 0.449 290 G N -0.525 108.253 108.800 -0.037 0.000 2.402 290 G HA2 -0.057 3.902 3.960 -0.001 0.000 0.216 290 G HA3 -0.057 3.902 3.960 -0.001 0.000 0.216 290 G C 1.329 176.289 174.900 0.099 0.000 1.162 290 G CA 0.919 45.935 45.100 -0.141 0.000 0.777 290 G HN 0.330 nan 8.290 nan 0.000 0.539 291 L N 0.112 121.391 121.223 0.093 0.000 2.083 291 L HA 0.027 4.367 4.340 -0.001 0.000 0.209 291 L C 2.841 179.690 176.870 -0.034 0.000 1.083 291 L CA 0.949 55.755 54.840 -0.057 0.000 0.752 291 L CB -1.286 40.692 42.059 -0.136 0.000 0.899 291 L HN 0.130 nan 8.230 nan 0.000 0.433 292 L N -0.218 120.994 121.223 -0.020 0.000 2.141 292 L HA -0.078 4.261 4.340 -0.001 0.000 0.209 292 L C 2.656 179.514 176.870 -0.019 0.000 1.094 292 L CA 1.716 56.549 54.840 -0.012 0.000 0.763 292 L CB -1.206 40.849 42.059 -0.006 0.000 0.908 292 L HN 0.190 nan 8.230 nan 0.000 0.437 293 A N -0.925 121.862 122.820 -0.055 0.000 1.929 293 A HA 0.009 4.328 4.320 -0.001 0.000 0.216 293 A C 2.492 180.071 177.584 -0.010 0.000 1.176 293 A CA 1.315 53.316 52.037 -0.060 0.000 0.628 293 A CB -0.739 18.169 19.000 -0.152 0.000 0.816 293 A HN 0.342 nan 8.150 nan 0.000 0.444 294 A N -0.552 122.276 122.820 0.013 0.000 1.877 294 A HA -0.211 4.108 4.320 -0.001 0.000 0.216 294 A C 2.147 179.761 177.584 0.050 0.000 1.186 294 A CA 2.099 54.166 52.037 0.050 0.000 0.620 294 A CB -0.607 18.430 19.000 0.061 0.000 0.822 294 A HN 0.530 nan 8.150 nan 0.000 0.443 295 Q N 0.224 120.053 119.800 0.049 0.000 2.181 295 Q HA -0.195 4.145 4.340 -0.001 0.000 0.205 295 Q C 1.917 177.950 176.000 0.054 0.000 0.980 295 Q CA 2.265 58.115 55.803 0.080 0.000 0.862 295 Q CB -0.369 28.429 28.738 0.101 0.000 0.905 295 Q HN 0.676 nan 8.270 nan 0.000 0.429 296 K N -0.949 119.472 120.400 0.036 0.000 2.209 296 K HA -0.094 4.226 4.320 -0.001 0.000 0.204 296 K C 1.670 178.289 176.600 0.031 0.000 1.048 296 K CA 1.286 57.590 56.287 0.028 0.000 0.940 296 K CB 0.004 32.513 32.500 0.016 0.000 0.729 296 K HN 0.262 nan 8.250 nan 0.000 0.451 297 V N -0.044 119.894 119.914 0.040 0.000 3.085 297 V HA 0.052 4.171 4.120 -0.001 0.000 0.245 297 V C 1.567 177.688 176.094 0.045 0.000 1.114 297 V CA 0.502 62.829 62.300 0.045 0.000 1.108 297 V CB 0.078 31.937 31.823 0.060 0.000 0.798 297 V HN 0.232 nan 8.190 nan 0.000 0.471 298 I N 0.175 120.773 120.570 0.048 0.000 2.480 298 I HA 0.056 4.225 4.170 -0.001 0.000 0.251 298 I C 1.392 177.523 176.117 0.023 0.000 1.124 298 I CA 0.904 62.229 61.300 0.041 0.000 1.444 298 I CB -0.184 37.849 38.000 0.054 0.000 1.098 298 I HN 0.303 nan 8.210 nan 0.000 0.428 299 S N 1.686 117.402 115.700 0.025 0.000 3.631 299 S HA -0.180 4.289 4.470 -0.001 0.000 0.366 299 S C 0.277 174.861 174.600 -0.027 0.000 0.993 299 S CA 0.675 58.879 58.200 0.007 0.000 1.167 299 S CB -1.404 61.800 63.200 0.006 0.000 0.909 299 S HN 0.392 nan 8.310 nan 0.000 0.478 300 K N 1.074 121.438 120.400 -0.060 0.000 2.174 300 K HA 0.305 4.624 4.320 -0.001 0.000 0.275 300 K C -2.508 173.950 176.600 -0.237 0.000 1.015 300 K CA -2.127 54.065 56.287 -0.158 0.000 0.933 300 K CB 0.499 32.863 32.500 -0.227 0.000 1.025 300 K HN -0.003 nan 8.250 nan 0.000 0.463 301 P HA -0.049 nan 4.420 nan 0.000 0.262 301 P C 0.681 177.848 177.300 -0.223 0.000 1.199 301 P CA 0.282 63.295 63.100 -0.145 0.000 0.763 301 P CB 0.362 32.006 31.700 -0.093 0.000 0.790 302 I N 3.152 123.643 120.570 -0.132 0.000 2.367 302 I HA -0.360 3.810 4.170 -0.001 0.000 0.256 302 I C 1.743 177.853 176.117 -0.013 0.000 1.132 302 I CA 2.181 63.457 61.300 -0.041 0.000 1.397 302 I CB 0.050 38.085 38.000 0.058 0.000 1.074 302 I HN 0.372 nan 8.210 nan 0.000 0.435 303 S N -0.371 115.308 115.700 -0.035 0.000 2.406 303 S HA -0.142 4.328 4.470 -0.001 0.000 0.228 303 S C 1.483 176.078 174.600 -0.009 0.000 1.020 303 S CA 0.800 58.997 58.200 -0.004 0.000 0.965 303 S CB -0.406 62.789 63.200 -0.008 0.000 0.798 303 S HN 0.597 nan 8.310 nan 0.000 0.488 304 E N 0.479 120.636 120.200 -0.071 0.000 2.403 304 E HA 0.133 4.482 4.350 -0.001 0.000 0.187 304 E C -0.504 176.078 176.600 -0.029 0.000 1.073 304 E CA -0.133 56.233 56.400 -0.058 0.000 0.888 304 E CB -0.049 29.599 29.700 -0.086 0.000 1.035 304 E HN 0.705 nan 8.360 nan 0.000 0.471 305 H N 1.210 120.291 119.070 0.018 0.000 2.620 305 H HA 0.228 4.783 4.556 -0.001 0.000 0.313 305 H C -0.211 175.143 175.328 0.043 0.000 1.075 305 H CA -0.222 55.837 56.048 0.019 0.000 1.397 305 H CB 0.784 30.559 29.762 0.022 0.000 1.446 305 H HN -0.147 nan 8.280 nan 0.000 0.493 306 K N 4.104 124.614 120.400 0.183 0.000 2.601 306 K HA 0.319 4.638 4.320 -0.001 0.000 0.249 306 K C -1.884 174.775 176.600 0.097 0.000 0.966 306 K CA -0.526 55.852 56.287 0.152 0.000 0.827 306 K CB 0.673 33.240 32.500 0.111 0.000 1.178 306 K HN 0.369 nan 8.250 nan 0.000 0.437 307 I N 4.589 125.236 120.570 0.129 0.000 2.377 307 I HA 0.372 4.541 4.170 -0.001 0.000 0.293 307 I C -1.126 175.065 176.117 0.124 0.000 0.987 307 I CA -0.810 60.504 61.300 0.023 0.000 1.185 307 I CB 1.559 39.531 38.000 -0.048 0.000 1.341 307 I HN 0.505 nan 8.210 nan 0.000 0.455 308 L N 7.460 128.687 121.223 0.008 0.000 2.325 308 L HA 0.619 4.959 4.340 -0.001 0.000 0.281 308 L C -1.485 175.460 176.870 0.125 0.000 1.004 308 L CA -0.187 54.748 54.840 0.160 0.000 0.823 308 L CB 0.758 42.850 42.059 0.056 0.000 1.236 308 L HN 0.275 nan 8.230 nan 0.000 0.415 309 F N 5.032 125.183 119.950 0.335 0.000 2.421 309 F HA 0.502 5.028 4.527 -0.001 0.000 0.337 309 F C -0.138 175.901 175.800 0.398 0.000 1.105 309 F CA -0.462 57.715 58.000 0.296 0.000 1.049 309 F CB 1.758 40.858 39.000 0.167 0.000 1.139 309 F HN 0.392 nan 8.300 nan 0.000 0.479 310 L N 3.889 125.365 121.223 0.421 0.000 2.272 310 L HA 0.786 5.126 4.340 -0.001 0.000 0.284 310 L C -0.132 176.853 176.870 0.192 0.000 1.045 310 L CA 0.138 55.079 54.840 0.168 0.000 0.842 310 L CB 0.068 41.939 42.059 -0.313 0.000 1.224 310 L HN 0.711 nan 8.230 nan 0.000 0.430 311 G N 3.568 112.523 108.800 0.258 0.000 2.576 311 G HA2 0.421 4.380 3.960 -0.001 0.000 0.686 311 G HA3 0.421 4.380 3.960 -0.001 0.000 0.686 311 G C -0.657 174.327 174.900 0.139 0.000 1.242 311 G CA -0.388 44.804 45.100 0.155 0.000 0.819 311 G HN 1.362 nan 8.290 nan 0.000 0.655 312 A N 0.501 123.358 122.820 0.063 0.000 3.045 312 A HA 0.837 5.157 4.320 -0.001 0.000 0.244 312 A C 0.908 178.481 177.584 -0.017 0.000 0.917 312 A CA 1.007 53.038 52.037 -0.009 0.000 1.075 312 A CB -0.009 19.005 19.000 0.022 0.000 1.202 312 A HN 2.236 nan 8.150 nan 0.000 0.486 313 G N -0.682 108.123 108.800 0.009 0.000 3.039 313 G HA2 0.435 4.394 3.960 -0.001 0.000 0.159 313 G HA3 0.435 4.394 3.960 -0.001 0.000 0.159 313 G C 0.571 175.564 174.900 0.155 0.000 1.284 313 G CA 0.143 45.292 45.100 0.082 0.000 0.996 313 G HN 0.270 nan 8.290 nan 0.000 0.592 314 E N -0.190 120.122 120.200 0.187 0.000 2.048 314 E HA -0.256 4.093 4.350 -0.001 0.000 0.202 314 E C 2.764 179.372 176.600 0.014 0.000 1.021 314 E CA 1.603 58.038 56.400 0.058 0.000 0.825 314 E CB -0.256 29.364 29.700 -0.133 0.000 0.756 314 E HN 0.370 nan 8.360 nan 0.000 0.454 315 A N 1.209 124.030 122.820 0.002 0.000 1.898 315 A HA -0.049 4.271 4.320 -0.001 0.000 0.216 315 A C 2.373 179.934 177.584 -0.038 0.000 1.181 315 A CA 1.650 53.692 52.037 0.008 0.000 0.620 315 A CB -0.666 18.363 19.000 0.049 0.000 0.819 315 A HN 0.303 nan 8.150 nan 0.000 0.442 316 A N 0.036 122.785 122.820 -0.118 0.000 1.851 316 A HA -0.090 4.229 4.320 -0.001 0.000 0.216 316 A C 2.173 179.377 177.584 -0.633 0.000 1.195 316 A CA 1.607 53.340 52.037 -0.508 0.000 0.622 316 A CB -0.786 17.941 19.000 -0.454 0.000 0.831 316 A HN 0.468 nan 8.150 nan 0.000 0.444 317 L N -0.643 120.382 121.223 -0.330 0.000 2.079 317 L HA -0.143 4.196 4.340 -0.001 0.000 0.210 317 L C 2.828 179.638 176.870 -0.099 0.000 1.081 317 L CA 1.094 55.792 54.840 -0.237 0.000 0.752 317 L CB -0.892 41.142 42.059 -0.042 0.000 0.896 317 L HN 0.520 nan 8.230 nan 0.000 0.433 318 G N 0.446 109.229 108.800 -0.028 0.000 2.433 318 G HA2 -0.209 3.751 3.960 -0.001 0.000 0.216 318 G HA3 -0.209 3.751 3.960 -0.001 0.000 0.216 318 G C 1.576 176.473 174.900 -0.005 0.000 1.186 318 G CA 0.734 45.833 45.100 -0.002 0.000 0.779 318 G HN 0.282 nan 8.290 nan 0.000 0.543 319 I N 1.479 122.038 120.570 -0.019 0.000 2.226 319 I HA -0.141 4.028 4.170 -0.001 0.000 0.245 319 I C 3.294 179.451 176.117 0.067 0.000 1.100 319 I CA 0.886 62.236 61.300 0.083 0.000 1.374 319 I CB -0.231 37.917 38.000 0.246 0.000 1.057 319 I HN 0.240 nan 8.210 nan 0.000 0.413 320 A N 1.155 123.867 122.820 -0.179 0.000 1.865 320 A HA -0.238 4.081 4.320 -0.001 0.000 0.217 320 A C 2.128 179.766 177.584 0.090 0.000 1.191 320 A CA 2.029 53.937 52.037 -0.215 0.000 0.623 320 A CB -0.782 17.574 19.000 -1.073 0.000 0.826 320 A HN 0.421 nan 8.150 nan 0.000 0.444 321 N N -0.473 118.306 118.700 0.132 0.000 2.149 321 N HA -0.137 4.603 4.740 -0.001 0.000 0.188 321 N C 1.540 177.157 175.510 0.178 0.000 1.019 321 N CA 1.449 54.648 53.050 0.248 0.000 0.857 321 N CB -0.383 38.237 38.487 0.222 0.000 0.997 321 N HN 0.377 nan 8.380 nan 0.000 0.426 322 L N 1.178 122.483 121.223 0.136 0.000 2.240 322 L HA 0.121 4.461 4.340 -0.001 0.000 0.211 322 L C 1.997 178.942 176.870 0.125 0.000 1.106 322 L CA 0.768 55.686 54.840 0.129 0.000 0.793 322 L CB -0.232 41.899 42.059 0.120 0.000 0.927 322 L HN 0.086 nan 8.230 nan 0.000 0.446 323 I N -1.670 118.981 120.570 0.134 0.000 2.252 323 I HA -0.177 3.993 4.170 -0.001 0.000 0.245 323 I C 1.201 177.393 176.117 0.124 0.000 1.102 323 I CA 0.140 61.511 61.300 0.118 0.000 1.385 323 I CB -0.137 37.943 38.000 0.134 0.000 1.064 323 I HN -0.105 nan 8.210 nan 0.000 0.414 329 E N 0.804 121.038 120.200 0.056 0.000 2.516 329 E HA -0.083 4.267 4.350 -0.001 0.000 0.199 329 E C 0.956 177.585 176.600 0.049 0.000 1.069 329 E CA 0.893 57.325 56.400 0.053 0.000 0.876 329 E CB 0.099 29.833 29.700 0.058 0.000 0.843 329 E HN 0.581 nan 8.360 nan 0.000 0.530 330 N N -0.822 117.908 118.700 0.051 0.000 2.235 330 N HA 0.105 4.845 4.740 -0.001 0.000 0.231 330 N C 0.441 175.978 175.510 0.045 0.000 1.177 330 N CA 0.687 53.766 53.050 0.049 0.000 0.874 330 N CB 1.633 40.155 38.487 0.058 0.000 1.097 330 N HN 0.307 nan 8.380 nan 0.000 0.518 331 G N 0.615 109.439 108.800 0.041 0.000 2.981 331 G HA2 -0.215 3.744 3.960 -0.001 0.000 0.198 331 G HA3 -0.215 3.744 3.960 -0.001 0.000 0.198 331 G C -0.174 174.746 174.900 0.034 0.000 1.806 331 G CA -0.589 44.532 45.100 0.035 0.000 1.374 331 G HN 0.151 nan 8.290 nan 0.000 0.555 332 L N 2.519 123.766 121.223 0.040 0.000 2.517 332 L HA 0.414 4.753 4.340 -0.001 0.000 0.294 332 L C 1.629 178.519 176.870 0.032 0.000 1.264 332 L CA 1.278 56.140 54.840 0.037 0.000 0.839 332 L CB 0.621 42.709 42.059 0.049 0.000 1.098 332 L HN 0.905 nan 8.230 nan 0.000 0.525 333 S N 0.755 116.469 115.700 0.023 0.000 2.672 333 S HA 0.240 4.709 4.470 -0.001 0.000 0.276 333 S C 0.897 175.507 174.600 0.016 0.000 1.207 333 S CA -0.311 57.900 58.200 0.017 0.000 1.002 333 S CB 1.054 64.259 63.200 0.007 0.000 0.998 333 S HN 0.701 nan 8.310 nan 0.000 0.542 334 E N 0.206 120.412 120.200 0.010 0.000 2.085 334 E HA -0.269 4.080 4.350 -0.001 0.000 0.194 334 E C 1.989 178.577 176.600 -0.020 0.000 0.994 334 E CA 1.456 57.858 56.400 0.003 0.000 0.801 334 E CB -0.203 29.493 29.700 -0.006 0.000 0.743 334 E HN 0.823 nan 8.360 nan 0.000 0.453 335 Q N 0.355 120.138 119.800 -0.028 0.000 2.084 335 Q HA -0.217 4.122 4.340 -0.001 0.000 0.202 335 Q C 1.773 177.750 176.000 -0.038 0.000 0.978 335 Q CA 1.702 57.478 55.803 -0.044 0.000 0.844 335 Q CB 0.008 28.724 28.738 -0.038 0.000 0.898 335 Q HN 0.375 nan 8.270 nan 0.000 0.426 336 E N 0.128 120.318 120.200 -0.017 0.000 2.106 336 E HA -0.136 4.213 4.350 -0.001 0.000 0.192 336 E C 1.905 178.509 176.600 0.006 0.000 0.984 336 E CA 0.880 57.275 56.400 -0.009 0.000 0.806 336 E CB -0.078 29.625 29.700 0.006 0.000 0.750 336 E HN 0.468 nan 8.360 nan 0.000 0.458 337 A N 1.190 124.026 122.820 0.027 0.000 1.929 337 A HA -0.201 4.118 4.320 -0.001 0.000 0.216 337 A C 2.034 179.669 177.584 0.086 0.000 1.176 337 A CA 1.101 53.177 52.037 0.065 0.000 0.628 337 A CB -0.298 18.749 19.000 0.079 0.000 0.816 337 A HN 0.138 nan 8.150 nan 0.000 0.444 338 Q N -0.943 118.882 119.800 0.041 0.000 2.224 338 Q HA -0.139 4.200 4.340 -0.001 0.000 0.203 338 Q C 1.755 177.776 176.000 0.033 0.000 0.970 338 Q CA 1.412 57.242 55.803 0.044 0.000 0.865 338 Q CB -0.090 28.535 28.738 -0.187 0.000 0.922 338 Q HN 0.412 nan 8.270 nan 0.000 0.445 339 K N 0.828 121.159 120.400 -0.116 0.000 2.432 339 K HA -0.027 4.293 4.320 -0.001 0.000 0.196 339 K C 1.012 177.444 176.600 -0.281 0.000 1.038 339 K CA 0.752 56.793 56.287 -0.409 0.000 0.986 339 K CB 0.299 32.624 32.500 -0.291 0.000 0.782 339 K HN 0.010 nan 8.250 nan 0.000 0.485 340 K N -0.301 120.088 120.400 -0.019 0.000 2.404 340 K HA 0.183 4.503 4.320 -0.001 0.000 0.194 340 K C -0.265 176.470 176.600 0.225 0.000 1.023 340 K CA 0.214 56.572 56.287 0.119 0.000 1.094 340 K CB 0.509 33.089 32.500 0.133 0.000 0.841 340 K HN 0.064 nan 8.250 nan 0.000 0.523 341 I N 0.860 121.565 120.570 0.225 0.000 2.389 341 I HA 0.242 4.411 4.170 -0.001 0.000 0.288 341 I C -0.816 175.545 176.117 0.408 0.000 0.999 341 I CA -0.870 60.663 61.300 0.388 0.000 1.129 341 I CB 0.932 39.210 38.000 0.463 0.000 1.288 341 I HN -0.047 nan 8.210 nan 0.000 0.444 345 D N 4.168 124.554 120.400 -0.024 0.000 2.560 345 D HA 0.221 4.860 4.640 -0.001 0.000 0.277 345 D C 0.853 177.071 176.300 -0.136 0.000 1.194 345 D CA -0.161 53.842 54.000 0.004 0.000 1.092 345 D CB 0.585 41.399 40.800 0.024 0.000 1.169 345 D HN 0.597 nan 8.370 nan 0.000 0.607 346 K N -1.218 119.085 120.400 -0.161 0.000 2.515 346 K HA -0.104 4.216 4.320 -0.001 0.000 0.196 346 K C 0.631 176.942 176.600 -0.482 0.000 1.038 346 K CA 1.046 57.146 56.287 -0.311 0.000 0.967 346 K CB -0.467 31.775 32.500 -0.430 0.000 0.780 346 K HN 0.419 nan 8.250 nan 0.000 0.483 347 Y N 0.423 120.633 120.300 -0.151 0.000 2.481 347 Y HA 0.285 4.834 4.550 -0.001 0.000 0.247 347 Y C 0.916 176.663 175.900 -0.257 0.000 1.151 347 Y CA -0.057 57.957 58.100 -0.144 0.000 1.238 347 Y CB 1.574 39.978 38.460 -0.092 0.000 1.179 347 Y HN 0.359 nan 8.280 nan 0.000 0.524 348 G N 0.392 108.898 108.800 -0.489 0.000 2.422 348 G HA2 -0.125 3.835 3.960 -0.001 0.000 0.607 348 G HA3 -0.125 3.835 3.960 -0.001 0.000 0.607 348 G C -1.622 172.803 174.900 -0.792 0.000 1.270 348 G CA -1.169 43.414 45.100 -0.862 0.000 0.992 348 G HN -0.027 nan 8.290 nan 0.000 0.499 349 L N 0.274 121.300 121.223 -0.328 0.000 2.485 349 L HA 0.458 4.797 4.340 -0.001 0.000 0.275 349 L C 0.838 177.775 176.870 0.112 0.000 1.207 349 L CA -0.455 54.455 54.840 0.116 0.000 0.855 349 L CB 0.456 42.706 42.059 0.318 0.000 1.114 349 L HN 0.497 nan 8.230 nan 0.000 0.485 350 L N 6.887 128.221 121.223 0.186 0.000 2.385 350 L HA 0.247 4.586 4.340 -0.001 0.000 0.285 350 L C -0.232 176.716 176.870 0.130 0.000 1.125 350 L CA -0.091 54.818 54.840 0.115 0.000 0.890 350 L CB -0.005 42.104 42.059 0.084 0.000 1.251 350 L HN 0.485 nan 8.230 nan 0.000 0.445 351 V N 0.918 120.901 119.914 0.115 0.000 2.680 351 V HA 0.509 4.629 4.120 -0.001 0.000 0.309 351 V C 0.355 176.478 176.094 0.049 0.000 1.052 351 V CA -1.403 60.973 62.300 0.127 0.000 0.908 351 V CB 1.982 33.917 31.823 0.186 0.000 1.001 351 V HN 0.545 nan 8.190 nan 0.000 0.431 352 K N 2.356 122.773 120.400 0.029 0.000 2.524 352 K HA 0.346 4.666 4.320 -0.001 0.000 0.279 352 K C 1.268 177.876 176.600 0.013 0.000 0.993 352 K CA 1.165 57.453 56.287 0.003 0.000 1.030 352 K CB 0.261 32.762 32.500 0.002 0.000 0.891 352 K HN 1.643 nan 8.250 nan 0.000 0.488 353 G N 2.084 110.881 108.800 -0.005 0.000 2.148 353 G HA2 -0.350 3.609 3.960 -0.001 0.000 0.254 353 G HA3 -0.350 3.609 3.960 -0.001 0.000 0.254 353 G C 0.097 174.994 174.900 -0.005 0.000 0.981 353 G CA 0.766 45.863 45.100 -0.005 0.000 0.670 353 G HN 0.749 nan 8.290 nan 0.000 0.528 354 R N -0.623 119.874 120.500 -0.004 0.000 2.679 354 R HA 0.649 4.988 4.340 -0.001 0.000 0.269 354 R C 1.569 177.848 176.300 -0.035 0.000 1.076 354 R CA 0.238 56.334 56.100 -0.008 0.000 1.160 354 R CB 0.523 30.824 30.300 0.002 0.000 1.054 354 R HN 0.045 nan 8.270 nan 0.000 0.507 355 K N 2.103 122.476 120.400 -0.045 0.000 2.097 355 K HA -0.009 4.310 4.320 -0.001 0.000 0.205 355 K C 0.235 176.760 176.600 -0.126 0.000 1.050 355 K CA 1.542 57.784 56.287 -0.075 0.000 0.938 355 K CB -0.318 32.139 32.500 -0.072 0.000 0.718 355 K HN 0.690 nan 8.250 nan 0.000 0.442 356 A N 1.899 124.626 122.820 -0.153 0.000 2.388 356 A HA 0.219 4.538 4.320 -0.001 0.000 0.257 356 A C -0.424 177.075 177.584 -0.141 0.000 1.095 356 A CA -0.545 51.348 52.037 -0.240 0.000 0.791 356 A CB 0.194 19.023 19.000 -0.285 0.000 1.029 356 A HN 0.197 nan 8.150 nan 0.000 0.489 357 K N 0.556 120.868 120.400 -0.148 0.000 2.542 357 K HA 0.049 4.368 4.320 -0.001 0.000 0.276 357 K C -0.418 176.150 176.600 -0.053 0.000 0.963 357 K CA 0.598 56.831 56.287 -0.089 0.000 0.975 357 K CB 0.155 32.606 32.500 -0.081 0.000 0.901 357 K HN 0.490 nan 8.250 nan 0.000 0.506 358 I N 3.445 123.985 120.570 -0.049 0.000 2.531 358 I HA 0.053 4.223 4.170 -0.001 0.000 0.283 358 I C 0.041 176.129 176.117 -0.047 0.000 1.083 358 I CA -0.996 60.279 61.300 -0.040 0.000 1.071 358 I CB 1.368 39.340 38.000 -0.046 0.000 1.210 358 I HN 0.592 nan 8.210 nan 0.000 0.450 359 D N 3.716 124.094 120.400 -0.037 0.000 2.423 359 D HA 0.165 4.805 4.640 -0.001 0.000 0.255 359 D C 1.151 177.404 176.300 -0.079 0.000 1.174 359 D CA -0.339 53.633 54.000 -0.045 0.000 1.008 359 D CB 0.942 41.737 40.800 -0.008 0.000 1.101 359 D HN 0.442 nan 8.370 nan 0.000 0.516 360 S N -0.327 115.284 115.700 -0.148 0.000 2.402 360 S HA -0.282 4.187 4.470 -0.001 0.000 0.233 360 S C 1.897 176.324 174.600 -0.288 0.000 1.030 360 S CA 1.004 59.050 58.200 -0.257 0.000 1.003 360 S CB -0.972 62.003 63.200 -0.375 0.000 0.813 360 S HN 0.584 nan 8.310 nan 0.000 0.477 361 Y N 2.141 122.347 120.300 -0.158 0.000 2.337 361 Y HA 0.064 4.613 4.550 -0.001 0.000 0.293 361 Y C 2.878 178.766 175.900 -0.020 0.000 1.123 361 Y CA 0.975 58.987 58.100 -0.146 0.000 1.201 361 Y CB -0.372 37.863 38.460 -0.375 0.000 1.011 361 Y HN 0.349 nan 8.280 nan 0.000 0.545 362 Q N -0.304 119.553 119.800 0.096 0.000 2.269 362 Q HA -0.131 4.208 4.340 -0.001 0.000 0.201 362 Q C 1.993 178.025 176.000 0.053 0.000 0.946 362 Q CA 0.482 56.362 55.803 0.128 0.000 0.877 362 Q CB -0.014 28.745 28.738 0.036 0.000 0.963 362 Q HN 0.370 nan 8.270 nan 0.000 0.472 363 E N 1.345 121.513 120.200 -0.053 0.000 2.086 363 E HA -0.206 4.143 4.350 -0.001 0.000 0.205 363 E C -0.820 175.651 176.600 -0.215 0.000 1.027 363 E CA 1.739 58.063 56.400 -0.127 0.000 0.830 363 E CB -0.962 28.658 29.700 -0.134 0.000 0.751 363 E HN 0.255 nan 8.360 nan 0.000 0.456 364 P HA -0.111 nan 4.420 nan 0.000 0.223 364 P C 0.517 177.391 177.300 -0.710 0.000 1.144 364 P CA 1.157 63.930 63.100 -0.545 0.000 0.783 364 P CB -0.225 31.026 31.700 -0.749 0.000 0.771 365 F N -2.972 116.843 119.950 -0.225 0.000 2.706 365 F HA 0.192 4.718 4.527 -0.001 0.000 0.313 365 F C 0.671 175.894 175.800 -0.961 0.000 1.096 365 F CA -0.112 57.648 58.000 -0.400 0.000 1.219 365 F CB -0.328 38.579 39.000 -0.155 0.000 1.051 365 F HN -0.386 nan 8.300 nan 0.000 0.568 366 T N 2.223 116.425 114.554 -0.585 0.000 2.727 366 T HA 0.250 4.600 4.350 -0.001 0.000 0.298 366 T C -0.164 174.152 174.700 -0.640 0.000 0.942 366 T CA -0.190 61.615 62.100 -0.492 0.000 0.997 366 T CB 0.163 68.912 68.868 -0.198 0.000 0.917 366 T HN 0.082 nan 8.240 nan 0.000 0.487 367 H N 0.817 119.741 119.070 -0.244 0.000 2.649 367 H HA 0.460 5.015 4.556 -0.001 0.000 0.337 367 H C 0.282 175.590 175.328 -0.033 0.000 1.282 367 H CA -1.152 54.735 56.048 -0.267 0.000 1.333 367 H CB 0.798 30.135 29.762 -0.707 0.000 1.787 367 H HN 0.394 nan 8.280 nan 0.000 0.632 368 S N 0.492 116.291 115.700 0.165 0.000 2.531 368 S HA 0.280 4.750 4.470 -0.001 0.000 0.279 368 S C 0.426 175.191 174.600 0.274 0.000 1.305 368 S CA -0.601 57.699 58.200 0.167 0.000 1.058 368 S CB 0.337 63.611 63.200 0.122 0.000 0.899 368 S HN 0.726 nan 8.310 nan 0.000 0.493 369 A N 6.039 128.988 122.820 0.215 0.000 2.598 369 A HA 0.232 4.552 4.320 -0.001 0.000 0.239 369 A C -1.055 176.644 177.584 0.192 0.000 1.032 369 A CA -0.599 51.569 52.037 0.217 0.000 0.760 369 A CB -0.561 18.518 19.000 0.132 0.000 0.946 369 A HN 0.599 nan 8.150 nan 0.000 0.512 370 P HA 0.174 nan 4.420 nan 0.000 0.293 370 P C 0.356 177.683 177.300 0.044 0.000 1.298 370 P CA -0.194 62.954 63.100 0.079 0.000 0.757 370 P CB 0.424 32.094 31.700 -0.049 0.000 1.262 371 E N -0.435 119.774 120.200 0.015 0.000 2.048 371 E HA -0.105 4.244 4.350 -0.001 0.000 0.202 371 E C 0.433 177.039 176.600 0.010 0.000 1.021 371 E CA 1.621 58.026 56.400 0.010 0.000 0.825 371 E CB -0.784 28.912 29.700 -0.007 0.000 0.756 371 E HN 0.294 nan 8.360 nan 0.000 0.454 372 S N -0.053 115.646 115.700 -0.003 0.000 2.500 372 S HA 0.406 4.876 4.470 -0.001 0.000 0.301 372 S C -0.412 174.195 174.600 0.011 0.000 1.092 372 S CA -0.799 57.404 58.200 0.004 0.000 1.030 372 S CB 1.417 64.613 63.200 -0.007 0.000 1.031 372 S HN 0.047 nan 8.310 nan 0.000 0.483 373 I N 5.170 125.760 120.570 0.033 0.000 2.363 373 I HA 0.213 4.382 4.170 -0.001 0.000 0.292 373 I C -1.813 174.343 176.117 0.065 0.000 1.075 373 I CA -2.347 58.987 61.300 0.056 0.000 1.333 373 I CB -0.155 37.884 38.000 0.065 0.000 1.415 373 I HN 0.364 nan 8.210 nan 0.000 0.502 374 P HA 0.102 nan 4.420 nan 0.000 0.265 374 P C -0.288 177.126 177.300 0.189 0.000 1.193 374 P CA 0.034 63.193 63.100 0.099 0.000 0.765 374 P CB 1.366 33.116 31.700 0.083 0.000 0.823 375 D N 0.465 120.954 120.400 0.148 0.000 2.149 375 D HA -0.036 4.603 4.640 -0.001 0.000 0.206 375 D C 1.052 177.522 176.300 0.283 0.000 0.967 375 D CA 1.388 55.494 54.000 0.176 0.000 0.848 375 D CB -0.042 40.822 40.800 0.107 0.000 0.998 375 D HN 0.526 nan 8.370 nan 0.000 0.474 376 T N -3.350 111.325 114.554 0.201 0.000 2.927 376 T HA 0.271 4.621 4.350 -0.001 0.000 0.286 376 T C 0.553 175.174 174.700 -0.133 0.000 1.040 376 T CA -0.877 61.325 62.100 0.170 0.000 1.010 376 T CB 1.043 69.964 68.868 0.088 0.000 1.177 376 T HN -0.072 nan 8.240 nan 0.000 0.546 377 F N 0.634 120.269 119.950 -0.526 0.000 2.216 377 F HA 0.041 4.567 4.527 -0.001 0.000 0.300 377 F C 2.437 177.998 175.800 -0.398 0.000 1.085 377 F CA 1.862 59.367 58.000 -0.824 0.000 1.326 377 F CB -0.210 38.449 39.000 -0.568 0.000 1.027 377 F HN 0.896 nan 8.300 nan 0.000 0.497 378 E N -0.077 120.000 120.200 -0.204 0.000 2.077 378 E HA -0.233 4.117 4.350 -0.001 0.000 0.193 378 E C 1.733 178.182 176.600 -0.252 0.000 0.989 378 E CA 1.624 57.900 56.400 -0.208 0.000 0.800 378 E CB -0.206 29.448 29.700 -0.076 0.000 0.746 378 E HN 0.402 nan 8.360 nan 0.000 0.452 379 D N 0.305 120.591 120.400 -0.190 0.000 2.144 379 D HA -0.147 4.492 4.640 -0.001 0.000 0.199 379 D C 1.856 178.023 176.300 -0.221 0.000 0.984 379 D CA 1.248 55.158 54.000 -0.149 0.000 0.834 379 D CB -0.238 40.525 40.800 -0.061 0.000 0.955 379 D HN 0.296 nan 8.370 nan 0.000 0.465 380 A N 0.849 123.473 122.820 -0.325 0.000 1.933 380 A HA -0.139 4.180 4.320 -0.001 0.000 0.218 380 A C 2.554 179.865 177.584 -0.456 0.000 1.175 380 A CA 1.166 52.977 52.037 -0.376 0.000 0.628 380 A CB -0.682 18.023 19.000 -0.490 0.000 0.814 380 A HN 0.149 nan 8.150 nan 0.000 0.444 381 V N 0.962 120.539 119.914 -0.561 0.000 2.427 381 V HA -0.228 3.892 4.120 -0.001 0.000 0.248 381 V C 2.194 178.110 176.094 -0.298 0.000 1.051 381 V CA 1.994 64.016 62.300 -0.464 0.000 1.048 381 V CB -0.861 30.679 31.823 -0.472 0.000 0.666 381 V HN 0.571 nan 8.190 nan 0.000 0.456 382 N N 0.026 118.578 118.700 -0.247 0.000 2.216 382 N HA 0.018 4.758 4.740 -0.001 0.000 0.183 382 N C 1.821 177.232 175.510 -0.165 0.000 1.017 382 N CA 1.333 54.278 53.050 -0.175 0.000 0.861 382 N CB -0.019 38.385 38.487 -0.137 0.000 0.986 382 N HN 0.426 nan 8.380 nan 0.000 0.428 383 I N 0.427 120.883 120.570 -0.189 0.000 2.277 383 I HA -0.169 4.001 4.170 -0.001 0.000 0.243 383 I C 1.377 177.357 176.117 -0.228 0.000 1.094 383 I CA 0.807 61.998 61.300 -0.181 0.000 1.393 383 I CB 0.040 37.934 38.000 -0.176 0.000 1.078 383 I HN -0.020 nan 8.210 nan 0.000 0.417 384 L N 0.087 121.125 121.223 -0.308 0.000 2.375 384 L HA 0.042 4.381 4.340 -0.001 0.000 0.215 384 L C 0.815 177.538 176.870 -0.245 0.000 1.108 384 L CA 0.629 55.246 54.840 -0.372 0.000 0.830 384 L CB -0.718 41.007 42.059 -0.558 0.000 0.959 384 L HN 0.069 nan 8.230 nan 0.000 0.457 385 K N -0.739 119.534 120.400 -0.211 0.000 3.148 385 K HA -0.151 4.168 4.320 -0.001 0.000 0.267 385 K C -2.245 174.279 176.600 -0.126 0.000 0.996 385 K CA 0.296 56.490 56.287 -0.154 0.000 0.737 385 K CB -1.537 30.896 32.500 -0.112 0.000 1.308 385 K HN 0.283 nan 8.250 nan 0.000 0.470 386 P HA -0.021 nan 4.420 nan 0.000 0.269 386 P C 0.396 177.650 177.300 -0.076 0.000 1.215 386 P CA 0.237 63.281 63.100 -0.092 0.000 0.780 386 P CB 1.460 33.094 31.700 -0.111 0.000 0.898 387 S N 0.129 115.809 115.700 -0.032 0.000 2.503 387 S HA 0.096 4.565 4.470 -0.001 0.000 0.217 387 S C 0.606 175.176 174.600 -0.049 0.000 0.999 387 S CA 0.259 58.448 58.200 -0.019 0.000 0.914 387 S CB -0.283 62.946 63.200 0.048 0.000 0.782 387 S HN 0.514 nan 8.310 nan 0.000 0.520 388 T N 1.857 116.358 114.554 -0.089 0.000 2.916 388 T HA 0.661 5.011 4.350 -0.001 0.000 0.298 388 T C -1.592 173.001 174.700 -0.179 0.000 1.031 388 T CA -0.381 61.618 62.100 -0.168 0.000 0.993 388 T CB 1.890 70.606 68.868 -0.254 0.000 1.045 388 T HN 0.180 nan 8.240 nan 0.000 0.454 389 I N 3.123 123.594 120.570 -0.166 0.000 2.466 389 I HA 0.586 4.755 4.170 -0.001 0.000 0.289 389 I C -1.329 174.803 176.117 0.024 0.000 1.026 389 I CA -0.829 60.424 61.300 -0.079 0.000 1.078 389 I CB 1.181 39.073 38.000 -0.180 0.000 1.249 389 I HN 0.606 nan 8.210 nan 0.000 0.429 390 I N 6.961 127.552 120.570 0.034 0.000 2.411 390 I HA 0.438 4.607 4.170 -0.001 0.000 0.284 390 I C 0.353 176.616 176.117 0.244 0.000 1.012 390 I CA -0.581 60.761 61.300 0.069 0.000 1.119 390 I CB 1.746 39.531 38.000 -0.358 0.000 1.261 390 I HN 0.672 nan 8.210 nan 0.000 0.448 391 G N 4.722 113.611 108.800 0.148 0.000 2.327 391 G HA2 0.445 4.404 3.960 -0.001 0.000 0.302 391 G HA3 0.445 4.404 3.960 -0.001 0.000 0.302 391 G C -0.345 174.496 174.900 -0.098 0.000 1.113 391 G CA -0.140 44.791 45.100 -0.281 0.000 0.921 391 G HN 0.434 nan 8.290 nan 0.000 0.425 392 V N 2.401 122.302 119.914 -0.022 0.000 3.301 392 V HA 0.455 4.574 4.120 -0.001 0.000 0.477 392 V C 0.836 176.936 176.094 0.009 0.000 1.564 392 V CA 0.392 62.709 62.300 0.027 0.000 1.946 392 V CB 0.349 32.253 31.823 0.134 0.000 1.281 392 V HN 0.908 nan 8.190 nan 0.000 0.655 393 A N 0.368 123.156 122.820 -0.053 0.000 2.288 393 A HA 0.562 4.882 4.320 -0.001 0.000 0.216 393 A C 1.854 179.409 177.584 -0.048 0.000 1.199 393 A CA 0.687 52.700 52.037 -0.040 0.000 0.891 393 A CB -0.012 18.952 19.000 -0.060 0.000 0.923 393 A HN 1.765 nan 8.150 nan 0.000 0.500 394 G N -0.957 107.805 108.800 -0.062 0.000 2.321 394 G HA2 -0.039 3.920 3.960 -0.001 0.000 0.287 394 G HA3 -0.039 3.920 3.960 -0.001 0.000 0.287 394 G C 0.644 175.512 174.900 -0.054 0.000 1.018 394 G CA 0.557 45.625 45.100 -0.055 0.000 0.855 394 G HN 1.606 nan 8.290 nan 0.000 0.507 395 A N -0.772 122.008 122.820 -0.066 0.000 2.631 395 A HA 0.767 5.087 4.320 -0.001 0.000 0.294 395 A C 1.596 179.149 177.584 -0.052 0.000 1.156 395 A CA 1.189 53.194 52.037 -0.053 0.000 0.963 395 A CB -0.017 18.954 19.000 -0.048 0.000 1.202 395 A HN 2.522 nan 8.150 nan 0.000 0.523 396 G N -0.005 108.761 108.800 -0.058 0.000 2.627 396 G HA2 -0.132 3.828 3.960 -0.001 0.000 0.214 396 G HA3 -0.132 3.828 3.960 -0.001 0.000 0.214 396 G C -0.410 174.454 174.900 -0.061 0.000 1.331 396 G CA -0.923 44.152 45.100 -0.043 0.000 0.891 396 G HN 0.337 nan 8.290 nan 0.000 0.539 397 R N 0.929 121.413 120.500 -0.027 0.000 4.045 397 R HA 0.113 4.453 4.340 -0.001 0.000 0.174 397 R C 1.421 177.720 176.300 -0.002 0.000 1.805 397 R CA -0.245 55.846 56.100 -0.014 0.000 1.368 397 R CB -0.722 29.587 30.300 0.016 0.000 1.362 397 R HN 0.370 nan 8.270 nan 0.000 0.777 398 L N -0.054 121.135 121.223 -0.057 0.000 2.418 398 L HA 0.081 4.420 4.340 -0.001 0.000 0.218 398 L C 1.008 177.983 176.870 0.175 0.000 1.125 398 L CA 0.910 55.746 54.840 -0.006 0.000 0.835 398 L CB -0.488 41.505 42.059 -0.110 0.000 0.953 398 L HN 0.313 nan 8.230 nan 0.000 0.454 399 F N 1.912 121.821 119.950 -0.069 0.000 2.626 399 F HA 0.062 4.588 4.527 -0.001 0.000 0.353 399 F C 1.277 177.079 175.800 0.003 0.000 1.230 399 F CA -0.888 57.102 58.000 -0.017 0.000 1.298 399 F CB 0.095 39.097 39.000 0.003 0.000 1.670 399 F HN 0.057 nan 8.300 nan 0.000 0.633 400 T N -1.169 113.494 114.554 0.182 0.000 2.795 400 T HA 0.030 4.379 4.350 -0.001 0.000 0.314 400 T C -1.665 173.068 174.700 0.054 0.000 1.069 400 T CA -1.353 60.802 62.100 0.092 0.000 1.071 400 T CB 1.046 69.957 68.868 0.071 0.000 0.988 400 T HN 0.111 nan 8.240 nan 0.000 0.543 401 P HA -0.086 nan 4.420 nan 0.000 0.216 401 P C 1.123 178.416 177.300 -0.012 0.000 1.150 401 P CA 1.036 64.134 63.100 -0.003 0.000 0.843 401 P CB -0.006 31.690 31.700 -0.007 0.000 0.787 402 D N -1.083 119.315 120.400 -0.005 0.000 2.117 402 D HA -0.102 4.537 4.640 -0.001 0.000 0.197 402 D C 2.045 178.323 176.300 -0.036 0.000 0.987 402 D CA 0.981 54.970 54.000 -0.019 0.000 0.829 402 D CB -0.813 39.980 40.800 -0.012 0.000 0.961 402 D HN -0.032 nan 8.370 nan 0.000 0.460 403 V N 1.396 121.299 119.914 -0.017 0.000 2.287 403 V HA -0.230 3.889 4.120 -0.001 0.000 0.248 403 V C 2.545 178.577 176.094 -0.102 0.000 1.053 403 V CA 1.192 63.463 62.300 -0.048 0.000 1.027 403 V CB -0.350 31.497 31.823 0.040 0.000 0.646 403 V HN 0.203 nan 8.190 nan 0.000 0.447 404 I N -0.613 119.911 120.570 -0.075 0.000 2.252 404 I HA -0.237 3.932 4.170 -0.001 0.000 0.245 404 I C 2.765 178.831 176.117 -0.084 0.000 1.102 404 I CA 1.551 62.797 61.300 -0.090 0.000 1.385 404 I CB -0.442 37.520 38.000 -0.063 0.000 1.064 404 I HN 0.220 nan 8.210 nan 0.000 0.414 405 R N 0.978 121.438 120.500 -0.066 0.000 2.081 405 R HA -0.036 4.304 4.340 -0.001 0.000 0.235 405 R C 1.398 177.656 176.300 -0.070 0.000 1.131 405 R CA 0.918 56.982 56.100 -0.060 0.000 0.960 405 R CB -0.403 29.869 30.300 -0.047 0.000 0.856 405 R HN 0.329 nan 8.270 nan 0.000 0.436 409 S N 0.088 115.756 115.700 -0.054 0.000 2.406 409 S HA 0.035 4.504 4.470 -0.001 0.000 0.228 409 S C 1.785 176.355 174.600 -0.050 0.000 1.020 409 S CA 1.523 59.694 58.200 -0.048 0.000 0.965 409 S CB -0.420 62.749 63.200 -0.051 0.000 0.798 409 S HN 0.475 nan 8.310 nan 0.000 0.488 410 I N 1.062 121.595 120.570 -0.062 0.000 2.703 410 I HA 0.105 4.275 4.170 -0.001 0.000 0.259 410 I C 0.276 176.362 176.117 -0.051 0.000 1.151 410 I CA 0.298 61.560 61.300 -0.063 0.000 1.470 410 I CB -0.065 37.885 38.000 -0.084 0.000 1.112 410 I HN 0.239 nan 8.210 nan 0.000 0.437 411 N N 0.692 119.363 118.700 -0.048 0.000 2.272 411 N HA 0.100 4.840 4.740 -0.001 0.000 0.305 411 N C 0.452 175.948 175.510 -0.023 0.000 1.103 411 N CA -0.254 52.776 53.050 -0.034 0.000 0.791 411 N CB 2.381 40.847 38.487 -0.035 0.000 1.356 411 N HN -0.096 nan 8.380 nan 0.000 0.486 412 E N 1.071 121.263 120.200 -0.013 0.000 2.158 412 E HA 0.002 4.352 4.350 -0.001 0.000 0.191 412 E C -0.304 176.301 176.600 0.008 0.000 0.982 412 E CA 1.419 57.818 56.400 -0.002 0.000 0.823 412 E CB 0.387 30.088 29.700 0.001 0.000 0.766 412 E HN 0.308 nan 8.360 nan 0.000 0.468 413 R N 1.116 121.622 120.500 0.010 0.000 2.639 413 R HA 0.299 4.638 4.340 -0.001 0.000 0.273 413 R C -2.540 173.771 176.300 0.019 0.000 1.732 413 R CA -2.019 54.097 56.100 0.026 0.000 1.586 413 R CB 0.815 31.140 30.300 0.042 0.000 1.263 413 R HN 0.172 nan 8.270 nan 0.000 0.615 414 P HA 0.104 nan 4.420 nan 0.000 0.271 414 P C -0.031 177.274 177.300 0.010 0.000 1.216 414 P CA -0.188 62.904 63.100 -0.014 0.000 0.771 414 P CB 1.366 33.043 31.700 -0.040 0.000 0.864 415 V N 5.530 125.437 119.914 -0.012 0.000 2.383 415 V HA 0.315 4.434 4.120 -0.001 0.000 0.275 415 V C 0.646 176.745 176.094 0.009 0.000 1.036 415 V CA -0.291 62.009 62.300 0.000 0.000 0.889 415 V CB 0.575 32.322 31.823 -0.127 0.000 0.985 415 V HN 0.400 nan 8.190 nan 0.000 0.459 416 I N 5.644 126.328 120.570 0.189 0.000 2.439 416 I HA 0.446 4.616 4.170 -0.001 0.000 0.283 416 I C -1.208 175.203 176.117 0.491 0.000 1.023 416 I CA -0.237 61.227 61.300 0.273 0.000 1.100 416 I CB 1.598 39.749 38.000 0.252 0.000 1.238 416 I HN 0.362 nan 8.210 nan 0.000 0.445 417 F N 4.751 124.734 119.950 0.055 0.000 2.427 417 F HA 0.577 5.103 4.527 -0.001 0.000 0.348 417 F C 0.437 176.239 175.800 0.004 0.000 1.125 417 F CA -1.429 56.522 58.000 -0.081 0.000 0.989 417 F CB 1.953 40.926 39.000 -0.045 0.000 1.165 417 F HN 0.417 nan 8.300 nan 0.000 0.442 418 A N 5.652 128.456 122.820 -0.027 0.000 2.644 418 A HA 0.548 4.867 4.320 -0.001 0.000 0.343 418 A C 0.404 177.950 177.584 -0.064 0.000 1.324 418 A CA -0.324 51.677 52.037 -0.059 0.000 0.846 418 A CB -0.179 18.866 19.000 0.074 0.000 1.128 418 A HN 0.837 nan 8.150 nan 0.000 0.484 419 L N 0.832 122.032 121.223 -0.037 0.000 2.509 419 L HA 0.060 4.399 4.340 -0.001 0.000 0.222 419 L C 0.909 177.766 176.870 -0.023 0.000 1.123 419 L CA 0.120 54.949 54.840 -0.018 0.000 0.856 419 L CB -0.228 41.860 42.059 0.049 0.000 0.985 419 L HN 0.515 nan 8.230 nan 0.000 0.456 420 S N 1.090 116.763 115.700 -0.044 0.000 2.568 420 S HA 0.151 4.620 4.470 -0.001 0.000 0.282 420 S C 0.117 174.689 174.600 -0.048 0.000 1.338 420 S CA -0.135 58.036 58.200 -0.048 0.000 1.045 420 S CB 0.359 63.516 63.200 -0.072 0.000 0.873 420 S HN 0.290 nan 8.310 nan 0.000 0.516 421 N N 2.216 120.880 118.700 -0.061 0.000 2.262 421 N HA 0.518 5.258 4.740 -0.001 0.000 0.295 421 N C -2.810 172.650 175.510 -0.083 0.000 1.161 421 N CA -1.411 51.587 53.050 -0.087 0.000 0.767 421 N CB 1.919 40.331 38.487 -0.126 0.000 1.499 421 N HN 0.286 nan 8.380 nan 0.000 0.476 422 P HA 0.175 nan 4.420 nan 0.000 0.302 422 P C 0.547 177.798 177.300 -0.081 0.000 1.307 422 P CA -0.026 63.010 63.100 -0.106 0.000 0.754 422 P CB 0.405 32.041 31.700 -0.107 0.000 1.298 423 T N 0.097 114.590 114.554 -0.102 0.000 2.649 423 T HA -0.261 4.088 4.350 -0.001 0.000 0.268 423 T C 1.918 176.628 174.700 0.018 0.000 1.036 423 T CA 2.625 64.681 62.100 -0.072 0.000 1.157 423 T CB -1.294 67.501 68.868 -0.122 0.000 0.861 423 T HN 0.540 nan 8.240 nan 0.000 0.445 424 A N 0.749 123.568 122.820 -0.002 0.000 2.024 424 A HA -0.123 4.196 4.320 -0.001 0.000 0.220 424 A C 2.213 179.801 177.584 0.006 0.000 1.164 424 A CA 1.395 53.440 52.037 0.012 0.000 0.643 424 A CB -0.477 18.521 19.000 -0.004 0.000 0.806 424 A HN 0.388 nan 8.150 nan 0.000 0.451 425 Q N -0.633 119.160 119.800 -0.012 0.000 2.360 425 Q HA 0.440 4.780 4.340 -0.001 0.000 0.202 425 Q C 0.756 176.738 176.000 -0.031 0.000 0.915 425 Q CA 0.540 56.327 55.803 -0.027 0.000 0.943 425 Q CB -0.222 28.491 28.738 -0.041 0.000 1.064 425 Q HN 0.604 nan 8.270 nan 0.000 0.511 426 A N 0.507 123.333 122.820 0.009 0.000 2.483 426 A HA 0.039 4.358 4.320 -0.001 0.000 0.238 426 A C 0.751 178.316 177.584 -0.033 0.000 1.070 426 A CA -0.139 51.914 52.037 0.027 0.000 0.770 426 A CB 0.377 19.489 19.000 0.187 0.000 1.008 426 A HN 0.163 nan 8.150 nan 0.000 0.497 427 E N -0.265 119.840 120.200 -0.158 0.000 2.153 427 E HA 0.000 4.349 4.350 -0.001 0.000 0.194 427 E C 0.662 177.212 176.600 -0.084 0.000 0.988 427 E CA 1.586 57.790 56.400 -0.326 0.000 0.811 427 E CB -0.353 28.721 29.700 -1.043 0.000 0.746 427 E HN 0.928 nan 8.360 nan 0.000 0.466 428 C N -3.055 116.272 119.300 0.046 0.000 3.275 428 C HA 0.660 5.119 4.460 -0.001 0.000 0.340 428 C C -0.113 174.883 174.990 0.009 0.000 1.366 428 C CA -0.601 58.462 59.018 0.074 0.000 1.227 428 C CB 1.030 28.864 27.740 0.156 0.000 1.512 428 C HN 0.250 nan 8.230 nan 0.000 0.461 429 T N -0.699 113.710 114.554 -0.242 0.000 2.936 429 T HA 0.682 5.031 4.350 -0.001 0.000 0.282 429 T C 1.163 175.239 174.700 -1.040 0.000 1.003 429 T CA 0.210 61.846 62.100 -0.773 0.000 1.005 429 T CB 1.471 69.970 68.868 -0.616 0.000 1.097 429 T HN 2.170 nan 8.240 nan 0.000 0.532 430 A N 0.142 122.098 122.820 -1.440 0.000 1.902 430 A HA -0.047 4.272 4.320 -0.001 0.000 0.217 430 A C 2.250 179.419 177.584 -0.693 0.000 1.181 430 A CA 1.877 53.141 52.037 -1.287 0.000 0.623 430 A CB -1.172 17.537 19.000 -0.485 0.000 0.818 430 A HN 1.037 nan 8.150 nan 0.000 0.443 431 E N -0.139 119.807 120.200 -0.422 0.000 2.051 431 E HA -0.241 4.109 4.350 -0.001 0.000 0.192 431 E C 1.907 178.377 176.600 -0.217 0.000 0.991 431 E CA 1.508 57.795 56.400 -0.187 0.000 0.799 431 E CB -0.132 29.495 29.700 -0.122 0.000 0.748 431 E HN 0.757 nan 8.360 nan 0.000 0.449 432 E N 0.072 120.100 120.200 -0.286 0.000 2.077 432 E HA -0.188 4.161 4.350 -0.001 0.000 0.193 432 E C 1.988 178.433 176.600 -0.259 0.000 0.989 432 E CA 0.953 57.225 56.400 -0.214 0.000 0.800 432 E CB -0.122 29.474 29.700 -0.174 0.000 0.746 432 E HN 0.341 nan 8.360 nan 0.000 0.452 433 A N 0.611 123.156 122.820 -0.458 0.000 1.855 433 A HA -0.178 4.141 4.320 -0.001 0.000 0.215 433 A C 1.925 179.245 177.584 -0.439 0.000 1.191 433 A CA 1.264 53.004 52.037 -0.495 0.000 0.613 433 A CB -0.942 17.542 19.000 -0.861 0.000 0.829 433 A HN 0.287 nan 8.150 nan 0.000 0.442 434 Y N 0.886 120.955 120.300 -0.385 0.000 2.145 434 Y HA -0.225 4.324 4.550 -0.001 0.000 0.286 434 Y C 3.246 178.978 175.900 -0.278 0.000 1.145 434 Y CA 1.803 59.660 58.100 -0.405 0.000 1.148 434 Y CB -0.595 37.588 38.460 -0.461 0.000 0.981 434 Y HN 0.535 nan 8.280 nan 0.000 0.507 435 T N -1.644 112.885 114.554 -0.042 0.000 2.737 435 T HA -0.162 4.187 4.350 -0.001 0.000 0.265 435 T C 1.685 176.355 174.700 -0.050 0.000 1.038 435 T CA 1.115 63.196 62.100 -0.032 0.000 1.144 435 T CB -0.665 68.188 68.868 -0.026 0.000 0.866 435 T HN 0.068 nan 8.240 nan 0.000 0.434 436 L N 2.571 123.747 121.223 -0.077 0.000 2.362 436 L HA 0.138 4.477 4.340 -0.001 0.000 0.219 436 L C 2.550 179.381 176.870 -0.065 0.000 1.134 436 L CA 1.778 56.578 54.840 -0.067 0.000 0.807 436 L CB -1.129 40.886 42.059 -0.074 0.000 0.927 436 L HN 0.740 nan 8.230 nan 0.000 0.447 437 T N -5.116 109.390 114.554 -0.080 0.000 3.129 437 T HA 0.143 4.492 4.350 -0.001 0.000 0.267 437 T C 0.486 175.157 174.700 -0.049 0.000 1.018 437 T CA -0.258 61.802 62.100 -0.067 0.000 0.903 437 T CB -0.066 68.753 68.868 -0.082 0.000 1.067 437 T HN 0.343 nan 8.240 nan 0.000 0.549 438 E N 0.738 120.914 120.200 -0.041 0.000 2.476 438 E HA -0.230 4.120 4.350 -0.001 0.000 0.251 438 E C 1.003 177.595 176.600 -0.013 0.000 1.130 438 E CA 0.469 56.864 56.400 -0.010 0.000 0.736 438 E CB -2.122 27.582 29.700 0.008 0.000 1.298 438 E HN 1.090 nan 8.360 nan 0.000 0.400 439 G N 0.149 108.870 108.800 -0.133 0.000 2.153 439 G HA2 -0.400 3.560 3.960 -0.001 0.000 0.252 439 G HA3 -0.400 3.560 3.960 -0.001 0.000 0.252 439 G C 0.775 175.586 174.900 -0.149 0.000 0.994 439 G CA 0.722 45.582 45.100 -0.400 0.000 0.698 439 G HN 0.411 nan 8.290 nan 0.000 0.521 440 R N -0.573 119.897 120.500 -0.050 0.000 2.280 440 R HA 0.189 4.528 4.340 -0.001 0.000 0.195 440 R C 2.021 178.338 176.300 0.029 0.000 0.935 440 R CA 0.715 56.828 56.100 0.021 0.000 1.033 440 R CB -0.081 30.230 30.300 0.018 0.000 0.964 440 R HN 0.776 nan 8.270 nan 0.000 0.489 441 C N -0.126 119.170 119.300 -0.007 0.000 2.595 441 C HA 0.491 4.950 4.460 -0.001 0.000 0.384 441 C C 0.442 175.502 174.990 0.117 0.000 1.289 441 C CA -1.161 57.870 59.018 0.021 0.000 2.372 441 C CB -0.041 27.666 27.740 -0.056 0.000 2.593 441 C HN 0.201 nan 8.230 nan 0.000 0.639 442 L N 2.564 123.880 121.223 0.156 0.000 2.301 442 L HA 0.458 4.797 4.340 -0.001 0.000 0.278 442 L C -0.344 176.702 176.870 0.294 0.000 1.022 442 L CA -0.066 54.916 54.840 0.237 0.000 0.854 442 L CB 0.427 42.608 42.059 0.202 0.000 1.226 442 L HN 0.794 nan 8.230 nan 0.000 0.429 443 F N 3.455 123.442 119.950 0.061 0.000 2.458 443 F HA 0.838 5.364 4.527 -0.001 0.000 0.330 443 F C -0.176 175.603 175.800 -0.036 0.000 1.082 443 F CA -0.423 57.557 58.000 -0.033 0.000 0.995 443 F CB 1.569 40.322 39.000 -0.412 0.000 1.170 443 F HN 0.401 nan 8.300 nan 0.000 0.478 444 A N 2.820 124.918 122.820 -1.203 0.000 2.594 444 A HA 0.732 5.052 4.320 -0.001 0.000 0.295 444 A C -1.353 175.524 177.584 -1.178 0.000 1.071 444 A CA -0.140 51.308 52.037 -0.981 0.000 0.685 444 A CB 1.339 19.661 19.000 -1.130 0.000 1.285 444 A HN 1.137 nan 8.150 nan 0.000 0.405 445 S N -0.300 115.088 115.700 -0.520 0.000 2.618 445 S HA 0.704 5.173 4.470 -0.001 0.000 0.277 445 S C 0.784 175.319 174.600 -0.108 0.000 1.138 445 S CA -0.002 58.066 58.200 -0.220 0.000 0.844 445 S CB 1.299 64.662 63.200 0.272 0.000 1.127 445 S HN 1.827 nan 8.310 nan 0.000 0.474 446 G N 0.498 109.265 108.800 -0.055 0.000 2.430 446 G HA2 0.239 4.198 3.960 -0.001 0.000 0.216 446 G HA3 0.239 4.198 3.960 -0.001 0.000 0.216 446 G C 0.333 175.193 174.900 -0.067 0.000 1.146 446 G CA 0.226 45.293 45.100 -0.054 0.000 0.793 446 G HN 0.694 nan 8.290 nan 0.000 0.537 447 S N 0.981 116.621 115.700 -0.100 0.000 2.638 447 S HA 0.548 5.017 4.470 -0.001 0.000 0.298 447 S C -2.578 171.846 174.600 -0.293 0.000 1.111 447 S CA -1.013 57.062 58.200 -0.208 0.000 1.027 447 S CB 2.429 65.457 63.200 -0.287 0.000 1.064 447 S HN 0.058 nan 8.310 nan 0.000 0.525 448 P HA 0.319 nan 4.420 nan 0.000 0.271 448 P C -1.314 175.751 177.300 -0.392 0.000 1.216 448 P CA -0.002 62.986 63.100 -0.187 0.000 0.776 448 P CB 0.180 31.836 31.700 -0.072 0.000 0.881 449 F N 0.569 120.594 119.950 0.125 0.000 2.574 449 F HA 0.429 4.956 4.527 -0.001 0.000 0.313 449 F C 1.128 177.005 175.800 0.128 0.000 1.130 449 F CA -0.678 57.398 58.000 0.127 0.000 0.936 449 F CB 2.129 41.230 39.000 0.167 0.000 1.219 449 F HN 0.320 nan 8.300 nan 0.000 0.445 450 G N 2.215 111.193 108.800 0.296 0.000 2.651 450 G HA2 0.447 4.406 3.960 -0.001 0.000 0.260 450 G HA3 0.447 4.406 3.960 -0.001 0.000 0.260 450 G C -2.729 172.291 174.900 0.200 0.000 1.216 450 G CA -1.217 44.002 45.100 0.200 0.000 0.913 450 G HN 0.299 nan 8.290 nan 0.000 0.535 451 P HA 0.230 nan 4.420 nan 0.000 0.269 451 P C -0.522 176.836 177.300 0.096 0.000 1.209 451 P CA -0.268 62.900 63.100 0.113 0.000 0.776 451 P CB 0.982 32.721 31.700 0.064 0.000 0.876 452 V N 3.232 123.193 119.914 0.078 0.000 2.459 452 V HA 0.349 4.468 4.120 -0.001 0.000 0.295 452 V C 0.203 176.334 176.094 0.061 0.000 1.029 452 V CA -0.457 61.889 62.300 0.076 0.000 0.874 452 V CB 1.410 33.307 31.823 0.123 0.000 0.985 452 V HN 0.438 nan 8.190 nan 0.000 0.438 453 K N 5.584 126.016 120.400 0.054 0.000 2.339 453 K HA 0.611 4.930 4.320 -0.001 0.000 0.264 453 K C -0.844 175.793 176.600 0.063 0.000 0.986 453 K CA -0.611 55.701 56.287 0.040 0.000 0.866 453 K CB 1.063 33.571 32.500 0.013 0.000 1.103 453 K HN 0.612 nan 8.250 nan 0.000 0.441 454 L N 3.006 124.287 121.223 0.097 0.000 2.466 454 L HA 0.130 4.469 4.340 -0.001 0.000 0.257 454 L C 1.639 178.540 176.870 0.052 0.000 1.189 454 L CA -0.436 54.460 54.840 0.092 0.000 0.813 454 L CB 0.848 42.998 42.059 0.150 0.000 1.118 454 L HN 0.810 nan 8.230 nan 0.000 0.471 455 T N -1.088 113.491 114.554 0.041 0.000 2.822 455 T HA -0.183 4.166 4.350 -0.001 0.000 0.270 455 T C 1.043 175.757 174.700 0.023 0.000 1.064 455 T CA 1.580 63.696 62.100 0.026 0.000 1.131 455 T CB -0.468 68.413 68.868 0.021 0.000 0.858 455 T HN 0.827 nan 8.240 nan 0.000 0.483 456 D N 0.436 120.855 120.400 0.032 0.000 2.349 456 D HA 0.269 4.908 4.640 -0.001 0.000 0.224 456 D C 1.568 177.875 176.300 0.011 0.000 1.029 456 D CA 0.680 54.694 54.000 0.023 0.000 0.879 456 D CB -0.485 40.335 40.800 0.033 0.000 0.906 456 D HN 0.458 nan 8.370 nan 0.000 0.528 457 G N -0.094 108.711 108.800 0.008 0.000 2.254 457 G HA2 -0.300 3.659 3.960 -0.001 0.000 0.225 457 G HA3 -0.300 3.659 3.960 -0.001 0.000 0.225 457 G C 0.346 175.218 174.900 -0.047 0.000 1.003 457 G CA -0.248 44.843 45.100 -0.015 0.000 0.622 457 G HN 0.414 nan 8.290 nan 0.000 0.507 458 R N 0.363 120.833 120.500 -0.051 0.000 2.570 458 R HA 0.432 4.771 4.340 -0.001 0.000 0.277 458 R C 0.035 176.189 176.300 -0.243 0.000 1.039 458 R CA 0.262 56.257 56.100 -0.177 0.000 1.065 458 R CB 1.012 31.221 30.300 -0.153 0.000 0.964 458 R HN 0.133 nan 8.270 nan 0.000 0.428 459 V N 5.088 124.762 119.914 -0.400 0.000 2.398 459 V HA 0.376 4.495 4.120 -0.001 0.000 0.286 459 V C -0.603 175.135 176.094 -0.593 0.000 1.026 459 V CA -0.515 61.589 62.300 -0.326 0.000 0.868 459 V CB 0.966 32.676 31.823 -0.188 0.000 0.982 459 V HN 0.498 nan 8.190 nan 0.000 0.443 460 F N 1.712 121.488 119.950 -0.289 0.000 2.482 460 F HA 0.533 5.059 4.527 -0.001 0.000 0.331 460 F C 0.621 176.256 175.800 -0.275 0.000 1.115 460 F CA -0.495 57.228 58.000 -0.462 0.000 0.955 460 F CB 2.186 40.433 39.000 -1.256 0.000 1.136 460 F HN 0.319 nan 8.300 nan 0.000 0.452 461 T N 5.298 119.882 114.554 0.051 0.000 2.853 461 T HA 0.302 4.651 4.350 -0.001 0.000 0.317 461 T C -2.616 172.247 174.700 0.271 0.000 1.059 461 T CA -1.472 60.713 62.100 0.141 0.000 0.954 461 T CB 0.756 69.683 68.868 0.098 0.000 0.994 461 T HN 0.210 nan 8.240 nan 0.000 0.479 462 P HA 0.314 nan 4.420 nan 0.000 0.275 462 P C 0.150 177.663 177.300 0.356 0.000 1.228 462 P CA -0.192 63.213 63.100 0.509 0.000 0.786 462 P CB 0.962 33.063 31.700 0.668 0.000 0.927 463 G N 1.526 110.513 108.800 0.311 0.000 2.410 463 G HA2 0.316 4.275 3.960 -0.001 0.000 0.330 463 G HA3 0.316 4.275 3.960 -0.001 0.000 0.330 463 G C -1.015 173.972 174.900 0.145 0.000 1.142 463 G CA -0.521 44.741 45.100 0.269 0.000 0.902 463 G HN 0.526 nan 8.290 nan 0.000 0.491 464 Q N 0.256 120.084 119.800 0.046 0.000 2.368 464 Q HA 0.440 4.779 4.340 -0.001 0.000 0.256 464 Q C 0.381 176.124 176.000 -0.429 0.000 0.980 464 Q CA -0.584 55.176 55.803 -0.070 0.000 0.887 464 Q CB 1.070 29.840 28.738 0.053 0.000 1.221 464 Q HN 0.579 nan 8.270 nan 0.000 0.458 465 G N 4.354 112.872 108.800 -0.469 0.000 3.343 465 G HA2 0.040 3.999 3.960 -0.001 0.000 0.279 465 G HA3 0.040 3.999 3.960 -0.001 0.000 0.279 465 G C -0.361 174.414 174.900 -0.208 0.000 0.919 465 G CA -0.244 44.494 45.100 -0.603 0.000 1.812 465 G HN 0.503 nan 8.290 nan 0.000 0.584 466 N N 1.143 119.784 118.700 -0.100 0.000 2.314 466 N HA 0.037 4.777 4.740 -0.001 0.000 0.304 466 N C 1.047 176.660 175.510 0.172 0.000 1.073 466 N CA -0.634 52.466 53.050 0.084 0.000 0.822 466 N CB 1.351 39.927 38.487 0.148 0.000 1.280 466 N HN 0.259 nan 8.380 nan 0.000 0.489 467 N N 2.013 120.861 118.700 0.246 0.000 2.651 467 N HA -0.137 4.602 4.740 -0.001 0.000 0.193 467 N C 1.319 176.971 175.510 0.237 0.000 1.149 467 N CA 0.448 53.689 53.050 0.318 0.000 0.933 467 N CB -0.167 38.576 38.487 0.427 0.000 0.974 467 N HN 0.271 nan 8.380 nan 0.000 0.448 468 V N -0.536 119.444 119.914 0.110 0.000 2.759 468 V HA -0.175 3.945 4.120 -0.001 0.000 0.256 468 V C 1.055 176.843 176.094 -0.511 0.000 1.080 468 V CA 1.308 63.360 62.300 -0.414 0.000 1.101 468 V CB -0.732 30.890 31.823 -0.335 0.000 0.698 468 V HN 0.313 nan 8.190 nan 0.000 0.477 469 Y N -1.013 119.146 120.300 -0.237 0.000 2.509 469 Y HA -0.003 4.546 4.550 -0.001 0.000 0.293 469 Y C 2.060 177.864 175.900 -0.160 0.000 1.133 469 Y CA 1.037 59.030 58.100 -0.179 0.000 1.283 469 Y CB 0.292 38.696 38.460 -0.094 0.000 1.001 469 Y HN 0.235 nan 8.280 nan 0.000 0.555 470 I N -1.633 118.934 120.570 -0.005 0.000 3.132 470 I HA -0.128 4.041 4.170 -0.001 0.000 0.255 470 I C 2.190 178.298 176.117 -0.015 0.000 1.118 470 I CA 0.695 62.022 61.300 0.045 0.000 1.463 470 I CB -1.476 36.652 38.000 0.213 0.000 1.356 470 I HN 0.181 nan 8.210 nan 0.000 0.463 471 F N 2.243 122.258 119.950 0.109 0.000 2.202 471 F HA -0.018 4.508 4.527 -0.001 0.000 0.301 471 F C -0.795 174.905 175.800 -0.167 0.000 1.082 471 F CA 0.867 58.912 58.000 0.075 0.000 1.313 471 F CB -2.816 36.374 39.000 0.317 0.000 1.024 471 F HN 0.087 nan 8.300 nan 0.000 0.495 472 P HA -0.001 nan 4.420 nan 0.000 0.216 472 P C 2.081 179.216 177.300 -0.275 0.000 1.153 472 P CA 2.254 65.101 63.100 -0.423 0.000 0.844 472 P CB -0.394 31.032 31.700 -0.457 0.000 0.787 473 G N -0.503 108.173 108.800 -0.208 0.000 2.403 473 G HA2 -0.173 3.786 3.960 -0.001 0.000 0.216 473 G HA3 -0.173 3.786 3.960 -0.001 0.000 0.216 473 G C 1.625 176.446 174.900 -0.133 0.000 1.154 473 G CA 0.464 45.482 45.100 -0.137 0.000 0.784 473 G HN 0.131 nan 8.290 nan 0.000 0.538 474 V N 1.511 121.331 119.914 -0.157 0.000 2.307 474 V HA -0.098 4.021 4.120 -0.001 0.000 0.245 474 V C 3.326 179.310 176.094 -0.183 0.000 1.045 474 V CA 1.975 64.144 62.300 -0.218 0.000 1.024 474 V CB -0.732 30.883 31.823 -0.346 0.000 0.651 474 V HN 0.453 nan 8.190 nan 0.000 0.449 475 A N -0.152 122.576 122.820 -0.154 0.000 1.908 475 A HA -0.221 4.098 4.320 -0.001 0.000 0.218 475 A C 2.163 179.711 177.584 -0.060 0.000 1.181 475 A CA 2.203 54.192 52.037 -0.080 0.000 0.627 475 A CB -0.597 18.285 19.000 -0.197 0.000 0.818 475 A HN 0.468 nan 8.150 nan 0.000 0.445 476 L N -0.312 120.851 121.223 -0.100 0.000 2.046 476 L HA -0.030 4.309 4.340 -0.001 0.000 0.208 476 L C 2.635 179.494 176.870 -0.018 0.000 1.077 476 L CA 2.243 57.050 54.840 -0.055 0.000 0.747 476 L CB -0.862 41.155 42.059 -0.071 0.000 0.896 476 L HN 0.331 nan 8.230 nan 0.000 0.432 477 A N -0.965 121.839 122.820 -0.026 0.000 1.877 477 A HA -0.151 4.169 4.320 -0.001 0.000 0.216 477 A C 2.268 179.863 177.584 0.019 0.000 1.186 477 A CA 2.091 54.135 52.037 0.013 0.000 0.620 477 A CB -1.210 17.783 19.000 -0.011 0.000 0.822 477 A HN 0.303 nan 8.150 nan 0.000 0.443 478 V N 0.235 120.140 119.914 -0.016 0.000 2.332 478 V HA -0.293 3.826 4.120 -0.001 0.000 0.248 478 V C 2.434 178.551 176.094 0.039 0.000 1.055 478 V CA 2.151 64.452 62.300 0.002 0.000 1.038 478 V CB -0.687 31.130 31.823 -0.009 0.000 0.651 478 V HN 0.567 nan 8.190 nan 0.000 0.450 479 I N -0.601 119.995 120.570 0.044 0.000 2.163 479 I HA -0.234 3.935 4.170 -0.001 0.000 0.240 479 I C 2.302 178.462 176.117 0.072 0.000 1.081 479 I CA 1.551 62.882 61.300 0.052 0.000 1.353 479 I CB -0.336 37.686 38.000 0.037 0.000 1.054 479 I HN 0.234 nan 8.210 nan 0.000 0.407 480 L N -0.146 121.126 121.223 0.082 0.000 2.127 480 L HA -0.242 4.097 4.340 -0.001 0.000 0.211 480 L C 2.238 179.260 176.870 0.252 0.000 1.089 480 L CA 0.991 55.926 54.840 0.158 0.000 0.757 480 L CB -0.599 41.550 42.059 0.151 0.000 0.899 480 L HN 0.426 nan 8.230 nan 0.000 0.434 481 C N -0.339 119.050 119.300 0.149 0.000 2.697 481 C HA 0.112 4.572 4.460 -0.001 0.000 0.267 481 C C 1.165 176.181 174.990 0.044 0.000 1.278 481 C CA -0.279 58.761 59.018 0.036 0.000 1.708 481 C CB -1.781 25.876 27.740 -0.138 0.000 1.860 481 C HN 0.637 nan 8.230 nan 0.000 0.589 482 N N 0.227 118.987 118.700 0.100 0.000 2.735 482 N HA -0.147 4.592 4.740 -0.001 0.000 0.248 482 N C -0.353 175.240 175.510 0.139 0.000 1.083 482 N CA 0.278 53.402 53.050 0.123 0.000 0.703 482 N CB -0.955 37.634 38.487 0.171 0.000 1.005 482 N HN 0.462 nan 8.380 nan 0.000 0.550 483 T N -0.125 114.487 114.554 0.098 0.000 2.930 483 T HA 0.075 4.424 4.350 -0.001 0.000 0.306 483 T C 1.552 176.266 174.700 0.024 0.000 1.045 483 T CA 0.103 62.272 62.100 0.114 0.000 1.134 483 T CB 1.032 69.938 68.868 0.063 0.000 0.961 483 T HN 0.216 nan 8.240 nan 0.000 0.545 484 R N 1.122 121.591 120.500 -0.053 0.000 2.128 484 R HA 0.135 4.474 4.340 -0.001 0.000 0.211 484 R C 0.042 175.960 176.300 -0.636 0.000 1.067 484 R CA 0.625 56.501 56.100 -0.373 0.000 1.010 484 R CB 0.180 30.170 30.300 -0.516 0.000 0.922 484 R HN 0.663 nan 8.270 nan 0.000 0.457 485 H N -0.910 118.219 119.070 0.099 0.000 2.930 485 H HA 0.416 4.972 4.556 -0.001 0.000 0.371 485 H C -1.077 174.334 175.328 0.138 0.000 1.169 485 H CA -0.713 55.411 56.048 0.127 0.000 1.157 485 H CB 2.149 31.975 29.762 0.107 0.000 1.789 485 H HN -0.108 nan 8.280 nan 0.000 0.547 486 I N 2.393 123.132 120.570 0.281 0.000 2.328 486 I HA 0.253 4.423 4.170 -0.001 0.000 0.287 486 I C 0.109 176.383 176.117 0.262 0.000 1.012 486 I CA -0.577 60.854 61.300 0.218 0.000 1.195 486 I CB 1.069 39.200 38.000 0.217 0.000 1.350 486 I HN 0.594 nan 8.210 nan 0.000 0.464 487 S N 2.947 118.776 115.700 0.216 0.000 2.652 487 S HA 0.245 4.714 4.470 -0.001 0.000 0.270 487 S C 0.671 175.435 174.600 0.273 0.000 1.243 487 S CA -0.737 57.599 58.200 0.226 0.000 0.999 487 S CB 1.612 64.928 63.200 0.193 0.000 0.973 487 S HN 0.538 nan 8.310 nan 0.000 0.544 488 D N 1.331 121.894 120.400 0.272 0.000 2.218 488 D HA -0.093 4.546 4.640 -0.001 0.000 0.204 488 D C 2.070 178.523 176.300 0.256 0.000 0.976 488 D CA 1.652 55.841 54.000 0.314 0.000 0.853 488 D CB -0.446 40.485 40.800 0.218 0.000 0.939 488 D HN 0.732 nan 8.370 nan 0.000 0.481 489 S N -0.259 115.551 115.700 0.183 0.000 2.474 489 S HA -0.062 4.407 4.470 -0.001 0.000 0.235 489 S C 2.124 176.678 174.600 -0.078 0.000 0.997 489 S CA 0.291 58.556 58.200 0.108 0.000 0.949 489 S CB -0.261 63.066 63.200 0.211 0.000 0.766 489 S HN 0.055 nan 8.310 nan 0.000 0.517 490 V N 0.870 120.754 119.914 -0.050 0.000 2.323 490 V HA -0.060 4.059 4.120 -0.001 0.000 0.244 490 V C 2.105 177.960 176.094 -0.398 0.000 1.041 490 V CA 1.675 63.799 62.300 -0.293 0.000 1.025 490 V CB -1.001 30.623 31.823 -0.330 0.000 0.656 490 V HN 0.484 nan 8.190 nan 0.000 0.451 491 F N -0.510 119.395 119.950 -0.075 0.000 2.216 491 F HA -0.137 4.389 4.527 -0.001 0.000 0.300 491 F C 2.093 177.862 175.800 -0.051 0.000 1.085 491 F CA 1.423 59.391 58.000 -0.052 0.000 1.326 491 F CB -0.504 38.498 39.000 0.003 0.000 1.027 491 F HN 0.110 nan 8.300 nan 0.000 0.497 492 L N 0.472 121.739 121.223 0.074 0.000 2.027 492 L HA -0.181 4.159 4.340 -0.001 0.000 0.206 492 L C 2.372 179.196 176.870 -0.077 0.000 1.074 492 L CA 1.798 56.651 54.840 0.022 0.000 0.745 492 L CB -0.667 41.400 42.059 0.013 0.000 0.898 492 L HN 0.046 nan 8.230 nan 0.000 0.433 493 E N -0.155 119.901 120.200 -0.241 0.000 2.153 493 E HA -0.173 4.176 4.350 -0.001 0.000 0.194 493 E C 2.025 178.517 176.600 -0.180 0.000 0.988 493 E CA 1.413 57.622 56.400 -0.319 0.000 0.811 493 E CB -0.267 28.989 29.700 -0.740 0.000 0.746 493 E HN 0.561 nan 8.360 nan 0.000 0.466 494 A N 0.717 123.444 122.820 -0.155 0.000 1.898 494 A HA 0.041 4.360 4.320 -0.001 0.000 0.216 494 A C 2.454 180.036 177.584 -0.002 0.000 1.181 494 A CA 1.802 53.790 52.037 -0.081 0.000 0.620 494 A CB -1.015 17.931 19.000 -0.090 0.000 0.819 494 A HN 0.379 nan 8.150 nan 0.000 0.442 495 A N 0.112 122.951 122.820 0.033 0.000 1.883 495 A HA -0.216 4.103 4.320 -0.001 0.000 0.217 495 A C 2.115 179.717 177.584 0.030 0.000 1.186 495 A CA 1.991 54.066 52.037 0.064 0.000 0.624 495 A CB -0.481 18.570 19.000 0.085 0.000 0.822 495 A HN 0.555 nan 8.150 nan 0.000 0.444 496 K N -0.470 119.931 120.400 0.003 0.000 2.097 496 K HA 0.012 4.331 4.320 -0.001 0.000 0.205 496 K C 2.253 178.852 176.600 -0.002 0.000 1.050 496 K CA 1.005 57.291 56.287 -0.002 0.000 0.938 496 K CB -0.289 32.203 32.500 -0.013 0.000 0.718 496 K HN 0.444 nan 8.250 nan 0.000 0.442 497 A N 1.283 124.098 122.820 -0.009 0.000 1.969 497 A HA -0.126 4.193 4.320 -0.001 0.000 0.218 497 A C 2.062 179.655 177.584 0.015 0.000 1.169 497 A CA 0.998 53.035 52.037 -0.000 0.000 0.635 497 A CB -0.371 18.623 19.000 -0.011 0.000 0.810 497 A HN 0.223 nan 8.150 nan 0.000 0.445 498 L N -0.803 120.435 121.223 0.025 0.000 2.005 498 L HA -0.066 4.273 4.340 -0.001 0.000 0.207 498 L C 2.522 179.401 176.870 0.015 0.000 1.072 498 L CA 2.838 57.703 54.840 0.042 0.000 0.744 498 L CB -1.138 40.964 42.059 0.071 0.000 0.895 498 L HN 0.333 nan 8.230 nan 0.000 0.433 499 T N -1.371 113.180 114.554 -0.005 0.000 2.833 499 T HA -0.152 4.198 4.350 -0.001 0.000 0.269 499 T C 1.987 176.677 174.700 -0.017 0.000 1.054 499 T CA 1.525 63.604 62.100 -0.036 0.000 1.135 499 T CB -0.466 68.376 68.868 -0.043 0.000 0.869 499 T HN 0.701 nan 8.240 nan 0.000 0.466 500 S N 0.150 115.850 115.700 -0.001 0.000 2.547 500 S HA -0.011 4.458 4.470 -0.001 0.000 0.235 500 S C 1.721 176.327 174.600 0.010 0.000 0.980 500 S CA 0.589 58.792 58.200 0.005 0.000 0.941 500 S CB -0.379 62.826 63.200 0.009 0.000 0.763 500 S HN 0.684 nan 8.310 nan 0.000 0.532 501 Q N -0.045 119.762 119.800 0.013 0.000 2.319 501 Q HA 0.389 4.728 4.340 -0.001 0.000 0.209 501 Q C 0.236 176.249 176.000 0.021 0.000 0.884 501 Q CA -0.240 55.577 55.803 0.022 0.000 0.938 501 Q CB 0.305 29.065 28.738 0.036 0.000 1.098 501 Q HN 0.571 nan 8.270 nan 0.000 0.517 502 L N 2.997 124.224 121.223 0.007 0.000 2.418 502 L HA 0.111 4.450 4.340 -0.001 0.000 0.274 502 L C 0.113 176.989 176.870 0.010 0.000 1.135 502 L CA -0.155 54.688 54.840 0.004 0.000 0.870 502 L CB 0.700 42.743 42.059 -0.026 0.000 1.154 502 L HN 0.091 nan 8.230 nan 0.000 0.462 503 T N -0.109 114.456 114.554 0.018 0.000 2.913 503 T HA 0.164 4.513 4.350 -0.001 0.000 0.287 503 T C 0.845 175.555 174.700 0.016 0.000 1.008 503 T CA -0.854 61.257 62.100 0.017 0.000 1.067 503 T CB 1.192 70.071 68.868 0.019 0.000 0.996 503 T HN 0.585 nan 8.240 nan 0.000 0.513 504 D N 1.401 121.809 120.400 0.014 0.000 2.190 504 D HA -0.127 4.512 4.640 -0.001 0.000 0.200 504 D C 1.684 177.994 176.300 0.016 0.000 0.992 504 D CA 1.379 55.388 54.000 0.015 0.000 0.854 504 D CB 0.031 40.839 40.800 0.013 0.000 0.936 504 D HN 0.712 nan 8.370 nan 0.000 0.462 505 E N 0.951 121.160 120.200 0.014 0.000 2.106 505 E HA -0.123 4.226 4.350 -0.001 0.000 0.192 505 E C 1.970 178.580 176.600 0.017 0.000 0.984 505 E CA 0.745 57.153 56.400 0.012 0.000 0.806 505 E CB -0.176 29.529 29.700 0.010 0.000 0.750 505 E HN 0.449 nan 8.360 nan 0.000 0.458 506 E N 0.258 120.473 120.200 0.026 0.000 2.158 506 E HA -0.051 4.298 4.350 -0.001 0.000 0.191 506 E C 2.030 178.657 176.600 0.045 0.000 0.982 506 E CA 0.334 56.757 56.400 0.038 0.000 0.823 506 E CB -0.044 29.683 29.700 0.045 0.000 0.766 506 E HN 0.186 nan 8.360 nan 0.000 0.468 507 L N 0.722 121.967 121.223 0.037 0.000 2.093 507 L HA -0.141 4.199 4.340 -0.001 0.000 0.208 507 L C 2.446 179.351 176.870 0.059 0.000 1.085 507 L CA 0.830 55.697 54.840 0.046 0.000 0.755 507 L CB -0.243 41.835 42.059 0.032 0.000 0.904 507 L HN 0.153 nan 8.230 nan 0.000 0.435 508 A N -0.585 122.258 122.820 0.039 0.000 1.940 508 A HA -0.274 4.045 4.320 -0.001 0.000 0.219 508 A C 2.046 179.638 177.584 0.014 0.000 1.176 508 A CA 1.657 53.710 52.037 0.026 0.000 0.631 508 A CB -0.432 18.571 19.000 0.005 0.000 0.814 508 A HN 0.591 nan 8.150 nan 0.000 0.446 509 Q N -1.962 117.847 119.800 0.014 0.000 2.369 509 Q HA 0.203 4.542 4.340 -0.001 0.000 0.206 509 Q C 1.253 177.288 176.000 0.059 0.000 0.963 509 Q CA 0.594 56.392 55.803 -0.010 0.000 0.894 509 Q CB -0.006 28.736 28.738 0.006 0.000 0.965 509 Q HN 0.917 nan 8.270 nan 0.000 0.475 510 G N 1.030 109.912 108.800 0.138 0.000 2.192 510 G HA2 -0.216 3.743 3.960 -0.001 0.000 0.193 510 G HA3 -0.216 3.743 3.960 -0.001 0.000 0.193 510 G C -0.159 174.886 174.900 0.242 0.000 0.999 510 G CA -0.618 44.637 45.100 0.259 0.000 0.659 510 G HN 0.148 nan 8.290 nan 0.000 0.503 511 R N 0.124 120.723 120.500 0.165 0.000 2.347 511 R HA 0.539 4.878 4.340 -0.001 0.000 0.304 511 R C 1.105 177.451 176.300 0.077 0.000 1.072 511 R CA -0.228 55.963 56.100 0.151 0.000 0.980 511 R CB 0.590 30.966 30.300 0.127 0.000 0.986 511 R HN 0.238 nan 8.270 nan 0.000 0.448 512 L N 3.330 124.570 121.223 0.028 0.000 2.667 512 L HA 0.241 4.580 4.340 -0.001 0.000 0.232 512 L C -0.624 175.904 176.870 -0.571 0.000 1.138 512 L CA 0.096 54.798 54.840 -0.229 0.000 0.921 512 L CB 0.115 42.000 42.059 -0.290 0.000 1.180 512 L HN 0.597 nan 8.230 nan 0.000 0.487 513 Y N -1.819 118.427 120.300 -0.091 0.000 2.571 513 Y HA 0.412 4.962 4.550 -0.001 0.000 0.341 513 Y C -2.420 173.412 175.900 -0.112 0.000 1.076 513 Y CA -2.618 55.349 58.100 -0.223 0.000 1.029 513 Y CB 0.982 39.142 38.460 -0.501 0.000 1.308 513 Y HN -0.202 nan 8.280 nan 0.000 0.461 514 P HA 0.080 nan 4.420 nan 0.000 0.268 514 P C -2.614 174.832 177.300 0.243 0.000 1.208 514 P CA -0.866 62.320 63.100 0.143 0.000 0.777 514 P CB 0.042 31.840 31.700 0.164 0.000 0.875 515 P HA -0.023 nan 4.420 nan 0.000 0.264 515 P C 0.773 178.187 177.300 0.189 0.000 1.193 515 P CA -0.012 63.193 63.100 0.175 0.000 0.763 515 P CB 0.282 32.046 31.700 0.107 0.000 0.810 516 L N 4.627 125.954 121.223 0.173 0.000 2.189 516 L HA -0.211 4.128 4.340 -0.001 0.000 0.214 516 L C 2.118 178.979 176.870 -0.014 0.000 1.097 516 L CA 1.995 56.855 54.840 0.034 0.000 0.764 516 L CB -1.432 40.634 42.059 0.012 0.000 0.900 516 L HN 0.441 nan 8.230 nan 0.000 0.436 517 A N -0.959 121.876 122.820 0.024 0.000 2.070 517 A HA -0.176 4.143 4.320 -0.001 0.000 0.220 517 A C 1.576 179.159 177.584 -0.001 0.000 1.159 517 A CA 1.762 53.803 52.037 0.006 0.000 0.656 517 A CB -0.753 18.258 19.000 0.019 0.000 0.800 517 A HN 0.655 nan 8.150 nan 0.000 0.453 518 N N -0.960 117.751 118.700 0.018 0.000 2.273 518 N HA 0.209 4.948 4.740 -0.001 0.000 0.231 518 N C 0.834 176.344 175.510 0.001 0.000 1.134 518 N CA -0.202 52.858 53.050 0.016 0.000 0.856 518 N CB 0.297 38.809 38.487 0.042 0.000 1.068 518 N HN 0.349 nan 8.380 nan 0.000 0.510 519 I N 0.904 121.441 120.570 -0.055 0.000 2.335 519 I HA -0.301 3.868 4.170 -0.001 0.000 0.251 519 I C 1.716 177.772 176.117 -0.102 0.000 1.129 519 I CA 1.762 62.982 61.300 -0.133 0.000 1.402 519 I CB 0.114 37.946 38.000 -0.279 0.000 1.069 519 I HN 0.159 nan 8.210 nan 0.000 0.424 520 Q N 0.497 120.252 119.800 -0.075 0.000 1.993 520 Q HA -0.242 4.097 4.340 -0.001 0.000 0.202 520 Q C 2.164 178.138 176.000 -0.042 0.000 0.984 520 Q CA 2.232 57.998 55.803 -0.063 0.000 0.837 520 Q CB -0.612 28.097 28.738 -0.048 0.000 0.902 520 Q HN 0.764 nan 8.270 nan 0.000 0.423 521 E N 0.253 120.438 120.200 -0.024 0.000 2.150 521 E HA -0.140 4.210 4.350 -0.001 0.000 0.193 521 E C 1.769 178.370 176.600 0.002 0.000 0.985 521 E CA 1.293 57.687 56.400 -0.010 0.000 0.814 521 E CB -0.133 29.566 29.700 -0.001 0.000 0.752 521 E HN 0.160 nan 8.360 nan 0.000 0.466 522 V N 1.200 121.123 119.914 0.015 0.000 2.427 522 V HA -0.211 3.909 4.120 -0.001 0.000 0.248 522 V C 2.369 178.476 176.094 0.021 0.000 1.051 522 V CA 1.860 64.188 62.300 0.046 0.000 1.048 522 V CB -0.244 31.652 31.823 0.121 0.000 0.666 522 V HN 0.319 nan 8.190 nan 0.000 0.456 523 S N 0.043 115.729 115.700 -0.023 0.000 2.355 523 S HA -0.087 4.382 4.470 -0.001 0.000 0.222 523 S C 1.944 176.516 174.600 -0.047 0.000 1.031 523 S CA 1.158 59.322 58.200 -0.059 0.000 0.993 523 S CB -0.231 62.899 63.200 -0.117 0.000 0.859 523 S HN 0.370 nan 8.310 nan 0.000 0.453 524 I N 2.823 123.371 120.570 -0.037 0.000 2.286 524 I HA -0.128 4.041 4.170 -0.001 0.000 0.248 524 I C 1.896 178.008 176.117 -0.009 0.000 1.115 524 I CA 1.177 62.461 61.300 -0.027 0.000 1.392 524 I CB -1.558 36.428 38.000 -0.023 0.000 1.065 524 I HN 0.242 nan 8.210 nan 0.000 0.418 525 N N 0.960 119.660 118.700 -0.001 0.000 2.188 525 N HA -0.087 4.653 4.740 -0.001 0.000 0.184 525 N C 1.986 177.502 175.510 0.009 0.000 1.018 525 N CA 1.065 54.121 53.050 0.010 0.000 0.858 525 N CB -0.228 38.269 38.487 0.017 0.000 0.989 525 N HN 0.348 nan 8.380 nan 0.000 0.426 526 I N 0.827 121.398 120.570 0.001 0.000 2.226 526 I HA -0.227 3.942 4.170 -0.001 0.000 0.245 526 I C 2.211 178.317 176.117 -0.019 0.000 1.100 526 I CA 0.887 62.181 61.300 -0.010 0.000 1.374 526 I CB -0.257 37.734 38.000 -0.016 0.000 1.057 526 I HN 0.064 nan 8.210 nan 0.000 0.413 527 A N 1.043 123.850 122.820 -0.022 0.000 1.902 527 A HA -0.185 4.134 4.320 -0.001 0.000 0.217 527 A C 2.277 179.878 177.584 0.028 0.000 1.181 527 A CA 1.521 53.549 52.037 -0.014 0.000 0.623 527 A CB -0.790 18.196 19.000 -0.023 0.000 0.818 527 A HN 0.379 nan 8.150 nan 0.000 0.443 528 I N -0.693 119.898 120.570 0.036 0.000 2.226 528 I HA -0.233 3.936 4.170 -0.001 0.000 0.245 528 I C 2.378 178.537 176.117 0.070 0.000 1.100 528 I CA 1.223 62.562 61.300 0.065 0.000 1.374 528 I CB -0.199 37.832 38.000 0.051 0.000 1.057 528 I HN 0.157 nan 8.210 nan 0.000 0.413 529 K N 0.427 120.855 120.400 0.047 0.000 2.097 529 K HA -0.063 4.256 4.320 -0.001 0.000 0.205 529 K C 2.103 178.746 176.600 0.071 0.000 1.050 529 K CA 1.049 57.367 56.287 0.052 0.000 0.938 529 K CB -0.376 32.138 32.500 0.024 0.000 0.718 529 K HN 0.217 nan 8.250 nan 0.000 0.442 530 V N 1.594 121.531 119.914 0.039 0.000 2.453 530 V HA -0.198 3.921 4.120 -0.001 0.000 0.247 530 V C 2.621 178.782 176.094 0.112 0.000 1.048 530 V CA 2.194 64.519 62.300 0.042 0.000 1.049 530 V CB -0.852 30.941 31.823 -0.050 0.000 0.672 530 V HN 0.505 nan 8.190 nan 0.000 0.457 531 T N -1.534 113.087 114.554 0.113 0.000 2.746 531 T HA -0.230 4.119 4.350 -0.001 0.000 0.267 531 T C 1.652 176.485 174.700 0.221 0.000 1.039 531 T CA 1.692 63.890 62.100 0.163 0.000 1.142 531 T CB -0.419 68.593 68.868 0.239 0.000 0.866 531 T HN 0.567 nan 8.240 nan 0.000 0.444 532 E N -0.080 120.232 120.200 0.188 0.000 2.110 532 E HA -0.114 4.236 4.350 -0.001 0.000 0.193 532 E C 1.883 178.582 176.600 0.165 0.000 0.988 532 E CA 1.232 57.732 56.400 0.167 0.000 0.804 532 E CB -0.310 29.458 29.700 0.114 0.000 0.745 532 E HN 0.682 nan 8.360 nan 0.000 0.458 533 Y N 1.386 121.710 120.300 0.041 0.000 2.133 533 Y HA -0.172 4.377 4.550 -0.001 0.000 0.287 533 Y C 1.987 177.887 175.900 0.001 0.000 1.134 533 Y CA 1.314 59.423 58.100 0.015 0.000 1.133 533 Y CB -0.230 38.225 38.460 -0.008 0.000 0.987 533 Y HN -0.075 nan 8.280 nan 0.000 0.502 534 L N -1.167 120.082 121.223 0.043 0.000 2.043 534 L HA -0.303 4.036 4.340 -0.001 0.000 0.212 534 L C 2.164 178.889 176.870 -0.240 0.000 1.075 534 L CA 1.790 56.557 54.840 -0.121 0.000 0.752 534 L CB -0.800 41.190 42.059 -0.114 0.000 0.891 534 L HN 0.291 nan 8.230 nan 0.000 0.432 535 Y N -0.637 119.593 120.300 -0.118 0.000 2.220 535 Y HA -0.151 4.398 4.550 -0.001 0.000 0.291 535 Y C 2.613 178.412 175.900 -0.168 0.000 1.129 535 Y CA 0.954 58.965 58.100 -0.148 0.000 1.161 535 Y CB -0.262 38.127 38.460 -0.118 0.000 0.997 535 Y HN 0.113 nan 8.280 nan 0.000 0.522 536 A N -0.074 122.743 122.820 -0.005 0.000 2.070 536 A HA -0.145 4.175 4.320 -0.001 0.000 0.220 536 A C 1.432 178.919 177.584 -0.161 0.000 1.159 536 A CA 1.550 53.542 52.037 -0.076 0.000 0.656 536 A CB -0.394 18.561 19.000 -0.075 0.000 0.800 536 A HN 0.456 nan 8.150 nan 0.000 0.453 537 N N -0.399 118.143 118.700 -0.263 0.000 2.234 537 N HA 0.158 4.897 4.740 -0.001 0.000 0.227 537 N C -0.642 174.754 175.510 -0.191 0.000 1.151 537 N CA 0.027 52.914 53.050 -0.272 0.000 0.865 537 N CB 0.466 38.664 38.487 -0.482 0.000 1.066 537 N HN 0.201 nan 8.380 nan 0.000 0.515 541 F N 1.130 121.004 119.950 -0.127 0.000 2.683 541 F HA 0.315 4.842 4.527 -0.001 0.000 0.306 541 F C 1.177 177.049 175.800 0.120 0.000 1.102 541 F CA -0.278 57.732 58.000 0.017 0.000 1.244 541 F CB 0.690 39.706 39.000 0.027 0.000 1.029 541 F HN 0.564 nan 8.300 nan 0.000 0.545 542 R N 2.223 122.841 120.500 0.197 0.000 2.347 542 R HA 0.148 4.487 4.340 -0.001 0.000 0.304 542 R C -1.239 175.228 176.300 0.280 0.000 1.072 542 R CA -0.022 56.216 56.100 0.230 0.000 0.980 542 R CB 0.073 30.497 30.300 0.207 0.000 0.986 542 R HN 0.341 nan 8.270 nan 0.000 0.448 543 Y N 3.682 124.057 120.300 0.125 0.000 2.485 543 Y HA 0.694 5.244 4.550 -0.001 0.000 0.345 543 Y C -2.421 173.511 175.900 0.054 0.000 0.998 543 Y CA -2.537 55.610 58.100 0.080 0.000 1.059 543 Y CB 0.952 39.456 38.460 0.073 0.000 1.234 543 Y HN 0.476 nan 8.280 nan 0.000 0.461 544 P HA 0.153 nan 4.420 nan 0.000 0.276 544 P C -1.141 176.141 177.300 -0.029 0.000 1.261 544 P CA -0.594 62.582 63.100 0.126 0.000 0.800 544 P CB 1.280 33.026 31.700 0.077 0.000 1.066 545 E N 1.975 122.117 120.200 -0.098 0.000 2.351 545 E HA 0.107 4.456 4.350 -0.001 0.000 0.266 545 E C -1.674 174.652 176.600 -0.457 0.000 1.031 545 E CA -1.648 54.497 56.400 -0.425 0.000 0.911 545 E CB 0.164 29.575 29.700 -0.482 0.000 0.986 545 E HN 0.257 nan 8.360 nan 0.000 0.446 546 P HA -0.013 nan 4.420 nan 0.000 0.271 546 P C 0.179 177.285 177.300 -0.323 0.000 1.218 546 P CA -0.065 62.776 63.100 -0.432 0.000 0.780 546 P CB 1.230 32.564 31.700 -0.611 0.000 0.901 547 E N 0.923 121.015 120.200 -0.180 0.000 2.016 547 E HA -0.117 4.232 4.350 -0.001 0.000 0.190 547 E C 0.243 176.783 176.600 -0.100 0.000 0.985 547 E CA 1.271 57.594 56.400 -0.127 0.000 0.802 547 E CB -0.086 29.569 29.700 -0.075 0.000 0.762 547 E HN 0.521 nan 8.360 nan 0.000 0.448 548 D N 0.536 120.903 120.400 -0.056 0.000 2.456 548 D HA 0.048 4.687 4.640 -0.001 0.000 0.219 548 D C 0.462 176.774 176.300 0.021 0.000 1.126 548 D CA -0.169 53.822 54.000 -0.015 0.000 0.890 548 D CB 0.792 41.595 40.800 0.007 0.000 1.025 548 D HN -0.208 nan 8.370 nan 0.000 0.511 549 K N 2.254 122.660 120.400 0.011 0.000 2.063 549 K HA -0.117 4.202 4.320 -0.001 0.000 0.208 549 K C 1.858 178.542 176.600 0.140 0.000 1.048 549 K CA 1.428 57.766 56.287 0.085 0.000 0.928 549 K CB -0.298 32.245 32.500 0.071 0.000 0.713 549 K HN 0.456 nan 8.250 nan 0.000 0.442 550 A N 0.985 123.853 122.820 0.080 0.000 1.883 550 A HA -0.264 4.055 4.320 -0.001 0.000 0.217 550 A C 2.153 179.773 177.584 0.060 0.000 1.186 550 A CA 2.085 54.159 52.037 0.062 0.000 0.624 550 A CB -0.497 18.525 19.000 0.036 0.000 0.822 550 A HN 0.316 nan 8.150 nan 0.000 0.444 551 K N -2.035 118.403 120.400 0.064 0.000 2.097 551 K HA -0.175 4.144 4.320 -0.001 0.000 0.205 551 K C 1.927 178.575 176.600 0.080 0.000 1.050 551 K CA 1.463 57.782 56.287 0.054 0.000 0.938 551 K CB -0.351 32.177 32.500 0.046 0.000 0.718 551 K HN 0.531 nan 8.250 nan 0.000 0.442 552 Y N 1.044 121.341 120.300 -0.005 0.000 2.128 552 Y HA -0.249 4.300 4.550 -0.001 0.000 0.284 552 Y C 1.778 177.686 175.900 0.014 0.000 1.154 552 Y CA 1.585 59.687 58.100 0.003 0.000 1.149 552 Y CB -0.392 38.071 38.460 0.004 0.000 0.976 552 Y HN -0.166 nan 8.280 nan 0.000 0.505 553 V N 0.782 120.669 119.914 -0.044 0.000 2.307 553 V HA -0.280 3.839 4.120 -0.001 0.000 0.245 553 V C 2.221 178.244 176.094 -0.119 0.000 1.045 553 V CA 2.332 64.553 62.300 -0.131 0.000 1.024 553 V CB -0.596 31.230 31.823 0.005 0.000 0.651 553 V HN 0.323 nan 8.190 nan 0.000 0.449 554 K N -0.072 120.293 120.400 -0.058 0.000 2.147 554 K HA -0.179 4.140 4.320 -0.001 0.000 0.205 554 K C 2.061 178.620 176.600 -0.067 0.000 1.049 554 K CA 1.442 57.698 56.287 -0.051 0.000 0.936 554 K CB -0.171 32.313 32.500 -0.026 0.000 0.722 554 K HN 0.550 nan 8.250 nan 0.000 0.446 555 E N 0.527 120.679 120.200 -0.080 0.000 2.204 555 E HA -0.122 4.228 4.350 -0.001 0.000 0.194 555 E C 1.423 177.964 176.600 -0.097 0.000 0.989 555 E CA 0.761 57.116 56.400 -0.076 0.000 0.824 555 E CB 0.137 29.800 29.700 -0.062 0.000 0.756 555 E HN 0.211 nan 8.360 nan 0.000 0.477 556 R N 0.834 121.244 120.500 -0.150 0.000 2.359 556 R HA 0.047 4.386 4.340 -0.001 0.000 0.231 556 R C 0.247 176.507 176.300 -0.066 0.000 0.913 556 R CA 0.103 56.123 56.100 -0.134 0.000 1.075 556 R CB 0.469 30.620 30.300 -0.249 0.000 1.087 556 R HN 0.048 nan 8.270 nan 0.000 0.515 557 T N -2.098 112.426 114.554 -0.050 0.000 2.869 557 T HA 0.099 4.448 4.350 -0.001 0.000 0.295 557 T C -0.289 174.442 174.700 0.051 0.000 0.987 557 T CA -0.804 61.297 62.100 0.001 0.000 1.109 557 T CB 1.233 70.089 68.868 -0.019 0.000 0.932 557 T HN 0.229 nan 8.240 nan 0.000 0.518 558 W N 3.023 124.260 121.300 -0.104 0.000 2.190 558 W HA 0.512 5.172 4.660 -0.001 0.000 0.330 558 W C -0.020 176.432 176.519 -0.111 0.000 1.299 558 W CA -0.611 56.670 57.345 -0.105 0.000 1.215 558 W CB 0.551 29.934 29.460 -0.128 0.000 1.147 558 W HN 0.568 nan 8.180 nan 0.000 0.563 559 R N 1.959 121.961 120.500 -0.831 0.000 2.664 559 R HA 0.245 4.584 4.340 -0.001 0.000 0.286 559 R C 1.009 176.525 176.300 -1.308 0.000 0.967 559 R CA -0.133 55.507 56.100 -0.766 0.000 0.933 559 R CB 1.718 31.741 30.300 -0.462 0.000 1.146 559 R HN 0.495 nan 8.270 nan 0.000 0.468 560 S N 0.370 115.602 115.700 -0.780 0.000 2.593 560 S HA 0.036 4.505 4.470 -0.001 0.000 0.217 560 S C -0.024 174.270 174.600 -0.509 0.000 0.966 560 S CA -0.249 57.572 58.200 -0.631 0.000 0.914 560 S CB -0.192 62.883 63.200 -0.209 0.000 0.776 560 S HN 0.508 nan 8.310 nan 0.000 0.523 561 E N 1.434 121.360 120.200 -0.457 0.000 2.373 561 E HA 0.127 4.477 4.350 -0.001 0.000 0.267 561 E C -0.743 175.675 176.600 -0.304 0.000 1.032 561 E CA -0.539 55.648 56.400 -0.355 0.000 0.889 561 E CB 0.230 29.792 29.700 -0.230 0.000 0.984 561 E HN 0.525 nan 8.360 nan 0.000 0.425 562 Y N 1.044 121.260 120.300 -0.140 0.000 2.597 562 Y HA -0.032 4.517 4.550 -0.001 0.000 0.336 562 Y C 0.923 176.761 175.900 -0.103 0.000 1.216 562 Y CA 0.151 58.179 58.100 -0.120 0.000 1.463 562 Y CB 0.611 39.004 38.460 -0.112 0.000 1.303 562 Y HN 0.320 nan 8.280 nan 0.000 0.576 563 D N 0.771 121.237 120.400 0.109 0.000 2.277 563 D HA 0.097 4.737 4.640 -0.001 0.000 0.250 563 D C -0.557 175.775 176.300 0.053 0.000 1.032 563 D CA -0.415 53.613 54.000 0.047 0.000 0.947 563 D CB 1.771 42.592 40.800 0.036 0.000 1.159 563 D HN 0.356 nan 8.370 nan 0.000 0.460 564 S N 0.375 116.099 115.700 0.041 0.000 2.545 564 S HA 0.213 4.682 4.470 -0.001 0.000 0.275 564 S C 0.983 175.617 174.600 0.057 0.000 1.299 564 S CA -0.535 57.691 58.200 0.044 0.000 1.048 564 S CB 0.189 63.411 63.200 0.037 0.000 0.938 564 S HN 0.323 nan 8.310 nan 0.000 0.496 565 L N 4.836 126.104 121.223 0.075 0.000 2.667 565 L HA 0.319 4.658 4.340 -0.001 0.000 0.232 565 L C 0.153 177.065 176.870 0.070 0.000 1.138 565 L CA -0.108 54.786 54.840 0.090 0.000 0.921 565 L CB -0.131 42.017 42.059 0.149 0.000 1.180 565 L HN 0.485 nan 8.230 nan 0.000 0.487 566 L N 2.579 123.837 121.223 0.058 0.000 2.456 566 L HA 0.165 4.504 4.340 -0.001 0.000 0.272 566 L C -1.445 175.451 176.870 0.043 0.000 1.189 566 L CA -1.302 53.564 54.840 0.044 0.000 0.846 566 L CB 0.274 42.357 42.059 0.040 0.000 1.111 566 L HN -0.012 nan 8.230 nan 0.000 0.475 567 P HA 0.058 nan 4.420 nan 0.000 0.274 567 P C -0.999 176.335 177.300 0.057 0.000 1.237 567 P CA -0.543 62.580 63.100 0.038 0.000 0.793 567 P CB 0.831 32.540 31.700 0.014 0.000 0.977 568 D N 1.222 121.676 120.400 0.089 0.000 2.344 568 D HA 0.166 4.805 4.640 -0.001 0.000 0.253 568 D C -0.693 175.721 176.300 0.189 0.000 1.255 568 D CA 0.057 54.153 54.000 0.160 0.000 0.894 568 D CB 0.066 40.990 40.800 0.207 0.000 1.067 568 D HN -0.056 nan 8.370 nan 0.000 0.492 569 V N 6.126 126.131 119.914 0.152 0.000 2.417 569 V HA 0.489 4.608 4.120 -0.001 0.000 0.291 569 V C -0.552 175.641 176.094 0.164 0.000 1.024 569 V CA -0.650 61.676 62.300 0.043 0.000 0.861 569 V CB 0.866 32.682 31.823 -0.011 0.000 0.985 569 V HN 0.429 nan 8.190 nan 0.000 0.436 570 Y N 1.695 121.991 120.300 -0.006 0.000 2.592 570 Y HA 0.815 5.364 4.550 -0.001 0.000 0.334 570 Y C -0.745 175.171 175.900 0.027 0.000 1.136 570 Y CA -1.436 56.680 58.100 0.027 0.000 1.042 570 Y CB 1.364 39.863 38.460 0.066 0.000 1.325 570 Y HN 0.500 nan 8.280 nan 0.000 0.457 571 E N 1.273 121.580 120.200 0.178 0.000 2.319 571 E HA 0.322 4.671 4.350 -0.001 0.000 0.268 571 E C -1.721 175.092 176.600 0.355 0.000 1.050 571 E CA -0.418 56.059 56.400 0.129 0.000 0.878 571 E CB 0.609 30.373 29.700 0.107 0.000 1.066 571 E HN 0.599 nan 8.360 nan 0.000 0.406 572 W N 4.550 125.876 121.300 0.043 0.000 2.417 572 W HA 0.375 5.034 4.660 -0.001 0.000 0.317 572 W C -1.532 175.017 176.519 0.049 0.000 1.121 572 W CA -2.370 55.014 57.345 0.065 0.000 1.208 572 W CB 0.177 29.652 29.460 0.026 0.000 1.253 572 W HN 0.520 nan 8.180 nan 0.000 0.533 573 P HA 0.000 nan 4.420 nan 0.000 0.216 573 P CA 0.000 63.154 63.100 0.090 0.000 0.800 573 P CB 0.000 31.716 31.700 0.027 0.000 0.726