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 2ajq_1_A DATA FIRST_RESID 1 DATA SEQUENCE MIVSAIAANA LLESVTKFHC GVIYDYSTAE YVSYRPSDFG AYLDALEAEV DATA SEQUENCE ARGGLIVFHN GHKYDVPALT KLAKLQLNRE FHLPRENCID TLVLSRLIHS DATA SEQUENCE NLKDTDMGLL RSGKLPGKRF GSHALEAWGY RLGEMKGEYK DDFKRMLEEQ DATA SEQUENCE GEEYVDGMEW WNFNEEMMDY NVQDVVVTKA LLEKLLSDKH YFPPEIDFTD DATA SEQUENCE VGYTTFWSES LEAVDIEHRA AWLLAKQERN GFPFDTKAIE ELYVELAARR DATA SEQUENCE SELLRKLTET FGSWYQPKGG TEMFCHPRTG KPLPKYPRIK TPKVGGIFKK DATA SEQUENCE PKNKAQREGR EPCELDTREY VAGAPYTPVE HVVFNPSSRD HIQKKLQEAG DATA SEQUENCE WVPTKYTDKG APVVDDEVLE GVRVDDPEKQ AAIDLIKEYL MIQKRIGQSA DATA SEQUENCE EGDKAWLRYV AEDGKIHGSV NPNGAVTGRA THAFPNLAQI PGVRSPYGEQ DATA SEQUENCE CRAAFGAEHH LDGITGKPWV QAGIDASGLE LRCLAHFMAR FDNGEYAHEI DATA SEQUENCE LNGDIHTKNQ IAAELPTRDN AKTFIYGFLY GAGDEKIGQI VGAGKERGKE DATA SEQUENCE LKKKFLENTP AIAALRESIQ QTLVESSQWV AGEQQVKWKR RWIKGLDGRK DATA SEQUENCE VHVRSPHAAL NTLLQSAGAL ICKLWIIKTE EMLVEKGLKH GWDGDFAYMA DATA SEQUENCE WVHDEIQVGC RTEEIAQVVI ETAQEAMRWV GDHWNFRCLL DTEGKMGPNW DATA SEQUENCE AICH VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.334 176.300 0.056 0.000 1.140 1 M CA 0.000 55.265 55.300 -0.058 0.000 0.988 1 M CB 0.000 32.504 32.600 -0.160 0.000 1.302 2 I N 1.914 122.488 120.570 0.006 0.000 2.910 2 I HA 0.923 5.094 4.170 0.001 0.000 0.310 2 I C -1.434 174.689 176.117 0.009 0.000 1.043 2 I CA -0.969 60.337 61.300 0.009 0.000 1.053 2 I CB 2.323 40.279 38.000 -0.073 0.000 1.242 2 I HN 0.432 nan 8.210 nan 0.000 0.452 3 V N 2.810 122.747 119.914 0.039 0.000 2.604 3 V HA 0.660 4.781 4.120 0.001 0.000 0.305 3 V C -0.161 175.913 176.094 -0.033 0.000 1.043 3 V CA -0.246 62.064 62.300 0.017 0.000 0.888 3 V CB 1.496 33.395 31.823 0.128 0.000 0.995 3 V HN 0.918 nan 8.190 nan 0.000 0.429 4 S N 2.248 117.861 115.700 -0.144 0.000 2.651 4 S HA 0.979 5.450 4.470 0.001 0.000 0.279 4 S C -1.166 173.571 174.600 0.228 0.000 1.148 4 S CA 0.194 58.383 58.200 -0.018 0.000 0.837 4 S CB 2.086 65.193 63.200 -0.155 0.000 1.138 4 S HN 1.613 nan 8.310 nan 0.000 0.478 5 A N 1.391 124.460 122.820 0.416 0.000 2.594 5 A HA 0.738 5.059 4.320 0.001 0.000 0.296 5 A C -1.068 176.721 177.584 0.343 0.000 1.061 5 A CA -0.606 51.702 52.037 0.452 0.000 0.689 5 A CB 0.636 19.818 19.000 0.303 0.000 1.280 5 A HN 1.381 nan 8.150 nan 0.000 0.406 6 I N -1.860 118.864 120.570 0.256 0.000 3.322 6 I HA 1.017 5.188 4.170 0.001 0.000 0.313 6 I C -0.244 175.854 176.117 -0.033 0.000 1.129 6 I CA -1.355 59.987 61.300 0.069 0.000 0.963 6 I CB 2.289 40.362 38.000 0.121 0.000 1.273 6 I HN 1.218 nan 8.210 nan 0.000 0.473 7 A N 1.525 124.234 122.820 -0.185 0.000 2.408 7 A HA 0.934 5.254 4.320 0.001 0.000 0.295 7 A C -0.779 176.652 177.584 -0.255 0.000 1.040 7 A CA -0.127 51.805 52.037 -0.174 0.000 0.707 7 A CB 1.341 20.373 19.000 0.054 0.000 1.235 7 A HN 1.318 nan 8.150 nan 0.000 0.418 8 A N 1.487 124.160 122.820 -0.244 0.000 2.437 8 A HA 0.731 5.052 4.320 0.001 0.000 0.288 8 A C 0.654 178.084 177.584 -0.257 0.000 1.201 8 A CA -0.139 51.693 52.037 -0.340 0.000 0.795 8 A CB 0.690 19.597 19.000 -0.156 0.000 1.359 8 A HN 1.132 nan 8.150 nan 0.000 0.435 9 N N -0.158 118.365 118.700 -0.295 0.000 2.398 9 N HA 0.358 5.098 4.740 0.001 0.000 0.188 9 N C 0.089 175.674 175.510 0.126 0.000 1.122 9 N CA 1.013 54.098 53.050 0.058 0.000 0.866 9 N CB 0.324 38.848 38.487 0.062 0.000 0.970 9 N HN 1.157 nan 8.380 nan 0.000 0.462 10 A N -0.269 122.554 122.820 0.006 0.000 2.438 10 A HA 0.466 4.786 4.320 0.001 0.000 0.301 10 A C -1.204 176.374 177.584 -0.010 0.000 1.101 10 A CA -0.824 51.223 52.037 0.016 0.000 0.621 10 A CB -0.028 19.006 19.000 0.057 0.000 1.350 10 A HN 0.075 nan 8.150 nan 0.000 0.496 11 L N 0.739 121.962 121.223 -0.001 0.000 2.472 11 L HA 0.158 4.498 4.340 0.001 0.000 0.260 11 L C 1.857 178.811 176.870 0.140 0.000 1.209 11 L CA -0.393 54.469 54.840 0.037 0.000 0.817 11 L CB 0.286 42.340 42.059 -0.008 0.000 1.106 11 L HN 0.881 nan 8.230 nan 0.000 0.479 12 L N 1.412 122.782 121.223 0.246 0.000 2.021 12 L HA -0.265 4.076 4.340 0.001 0.000 0.215 12 L C 2.258 179.119 176.870 -0.015 0.000 1.074 12 L CA 1.907 56.785 54.840 0.065 0.000 0.760 12 L CB -0.533 41.533 42.059 0.012 0.000 0.889 12 L HN 0.640 nan 8.230 nan 0.000 0.433 13 E N 0.024 120.216 120.200 -0.015 0.000 2.086 13 E HA -0.210 4.141 4.350 0.001 0.000 0.205 13 E C 1.920 178.494 176.600 -0.042 0.000 1.027 13 E CA 1.919 58.289 56.400 -0.050 0.000 0.830 13 E CB -0.583 29.089 29.700 -0.047 0.000 0.751 13 E HN 0.721 nan 8.360 nan 0.000 0.456 14 S N -0.731 114.957 115.700 -0.020 0.000 2.754 14 S HA 0.274 4.744 4.470 0.001 0.000 0.247 14 S C 0.248 174.839 174.600 -0.015 0.000 1.031 14 S CA -0.587 57.601 58.200 -0.019 0.000 1.014 14 S CB 0.205 63.399 63.200 -0.011 0.000 0.918 14 S HN 0.068 nan 8.310 nan 0.000 0.519 15 V N 3.358 123.262 119.914 -0.018 0.000 2.655 15 V HA 0.337 4.458 4.120 0.001 0.000 0.300 15 V C 1.276 177.339 176.094 -0.052 0.000 1.044 15 V CA 1.449 63.731 62.300 -0.031 0.000 1.095 15 V CB 1.124 32.925 31.823 -0.037 0.000 0.952 15 V HN 0.772 nan 8.190 nan 0.000 0.485 16 T N 2.757 117.275 114.554 -0.060 0.000 3.010 16 T HA 0.280 4.630 4.350 0.001 0.000 0.252 16 T C 0.279 174.930 174.700 -0.081 0.000 0.963 16 T CA -0.035 62.031 62.100 -0.056 0.000 0.952 16 T CB 0.135 68.983 68.868 -0.034 0.000 1.182 16 T HN 0.700 nan 8.240 nan 0.000 0.495 17 K N 0.791 121.112 120.400 -0.132 0.000 2.378 17 K HA 0.639 4.960 4.320 0.001 0.000 0.252 17 K C -1.621 174.766 176.600 -0.355 0.000 0.931 17 K CA -1.047 55.131 56.287 -0.181 0.000 0.794 17 K CB 2.044 34.486 32.500 -0.097 0.000 1.181 17 K HN 0.102 nan 8.250 nan 0.000 0.425 18 F N 4.292 123.917 119.950 -0.541 0.000 2.424 18 F HA 0.224 4.752 4.527 0.001 0.000 0.356 18 F C 0.637 176.173 175.800 -0.440 0.000 1.110 18 F CA -0.050 57.544 58.000 -0.678 0.000 1.161 18 F CB 0.485 38.702 39.000 -1.306 0.000 1.115 18 F HN 0.643 nan 8.300 nan 0.000 0.507 19 H N 5.001 123.579 119.070 -0.820 0.000 2.272 19 H HA 0.165 4.722 4.556 0.001 0.000 0.320 19 H C 0.574 175.215 175.328 -1.144 0.000 1.072 19 H CA 1.110 56.743 56.048 -0.693 0.000 1.458 19 H CB -0.402 29.194 29.762 -0.277 0.000 1.456 19 H HN 0.640 nan 8.280 nan 0.000 0.551 20 C N -0.964 117.775 119.300 -0.935 0.000 3.213 20 C HA 0.937 5.398 4.460 0.001 0.000 0.319 20 C C 0.470 175.078 174.990 -0.636 0.000 1.386 20 C CA -0.432 58.134 59.018 -0.754 0.000 1.494 20 C CB 1.637 29.161 27.740 -0.359 0.000 1.905 20 C HN 0.686 nan 8.230 nan 0.000 0.456 21 G N -0.179 108.497 108.800 -0.207 0.000 2.768 21 G HA2 0.611 4.571 3.960 0.001 0.000 0.297 21 G HA3 0.611 4.571 3.960 0.001 0.000 0.297 21 G C -1.858 173.178 174.900 0.226 0.000 1.430 21 G CA -0.360 44.668 45.100 -0.120 0.000 1.030 21 G HN 1.113 nan 8.290 nan 0.000 0.553 22 V N 2.335 122.424 119.914 0.292 0.000 2.555 22 V HA 0.602 4.722 4.120 0.001 0.000 0.302 22 V C -0.214 176.112 176.094 0.386 0.000 1.038 22 V CA -0.701 61.835 62.300 0.393 0.000 0.887 22 V CB 1.821 33.848 31.823 0.340 0.000 0.991 22 V HN 0.665 nan 8.190 nan 0.000 0.434 23 I N 4.468 125.270 120.570 0.387 0.000 2.448 23 I HA 0.315 4.486 4.170 0.001 0.000 0.281 23 I C -1.297 174.872 176.117 0.087 0.000 1.027 23 I CA -0.589 60.843 61.300 0.221 0.000 1.111 23 I CB 1.358 39.478 38.000 0.200 0.000 1.236 23 I HN 0.650 nan 8.210 nan 0.000 0.452 24 Y N 6.476 126.669 120.300 -0.178 0.000 2.383 24 Y HA 0.308 4.858 4.550 0.001 0.000 0.344 24 Y C -0.187 175.545 175.900 -0.279 0.000 0.986 24 Y CA -0.234 57.598 58.100 -0.447 0.000 1.175 24 Y CB 0.634 38.616 38.460 -0.797 0.000 1.152 24 Y HN 0.461 nan 8.280 nan 0.000 0.511 25 D N 4.519 124.425 120.400 -0.823 0.000 2.177 25 D HA 0.057 4.698 4.640 0.001 0.000 0.247 25 D C 0.022 175.821 176.300 -0.833 0.000 1.063 25 D CA -0.119 53.547 54.000 -0.557 0.000 0.867 25 D CB 0.950 41.573 40.800 -0.294 0.000 1.168 25 D HN 0.725 nan 8.370 nan 0.000 0.445 26 Y N 1.296 121.335 120.300 -0.434 0.000 2.395 26 Y HA -0.169 4.382 4.550 0.001 0.000 0.293 26 Y C 2.577 178.370 175.900 -0.177 0.000 1.123 26 Y CA 1.205 59.153 58.100 -0.253 0.000 1.227 26 Y CB 0.152 38.573 38.460 -0.065 0.000 1.012 26 Y HN 0.437 nan 8.280 nan 0.000 0.552 27 S N -1.050 114.632 115.700 -0.029 0.000 2.335 27 S HA -0.198 4.272 4.470 0.001 0.000 0.217 27 S C 2.170 176.730 174.600 -0.068 0.000 1.032 27 S CA 1.581 59.763 58.200 -0.029 0.000 0.985 27 S CB -1.329 61.852 63.200 -0.032 0.000 0.896 27 S HN 0.507 nan 8.310 nan 0.000 0.445 28 T N -0.971 113.512 114.554 -0.119 0.000 2.904 28 T HA 0.346 4.696 4.350 0.001 0.000 0.267 28 T C 1.425 176.052 174.700 -0.121 0.000 1.059 28 T CA 1.488 63.526 62.100 -0.104 0.000 1.137 28 T CB -0.920 67.886 68.868 -0.104 0.000 0.879 28 T HN 1.629 nan 8.240 nan 0.000 0.467 29 A N -0.271 122.395 122.820 -0.257 0.000 3.028 29 A HA -0.076 4.245 4.320 0.001 0.000 0.248 29 A C 0.204 177.744 177.584 -0.074 0.000 1.316 29 A CA 1.112 53.024 52.037 -0.209 0.000 1.003 29 A CB -2.322 16.674 19.000 -0.007 0.000 1.148 29 A HN 0.791 nan 8.150 nan 0.000 0.828 30 E N -1.191 118.901 120.200 -0.180 0.000 2.367 30 E HA 0.728 5.078 4.350 0.001 0.000 0.273 30 E C -0.460 176.180 176.600 0.067 0.000 0.903 30 E CA -0.775 55.679 56.400 0.089 0.000 0.764 30 E CB 0.635 30.393 29.700 0.096 0.000 1.252 30 E HN 0.306 nan 8.360 nan 0.000 0.446 31 Y N 0.680 121.064 120.300 0.139 0.000 2.281 31 Y HA 0.571 5.122 4.550 0.001 0.000 0.337 31 Y C 0.086 176.046 175.900 0.100 0.000 1.304 31 Y CA -0.475 57.722 58.100 0.162 0.000 1.465 31 Y CB 0.880 39.443 38.460 0.171 0.000 1.350 31 Y HN 0.202 nan 8.280 nan 0.000 0.575 32 V N 0.610 120.705 119.914 0.301 0.000 2.817 32 V HA 0.324 4.445 4.120 0.001 0.000 0.303 32 V C -0.884 175.345 176.094 0.224 0.000 1.151 32 V CA -1.101 61.303 62.300 0.174 0.000 0.929 32 V CB 2.088 33.997 31.823 0.143 0.000 1.030 32 V HN 0.756 nan 8.190 nan 0.000 0.427 33 S N 3.134 118.870 115.700 0.060 0.000 2.509 33 S HA 0.836 5.307 4.470 0.001 0.000 0.297 33 S C -1.458 173.115 174.600 -0.045 0.000 1.118 33 S CA -0.437 57.843 58.200 0.134 0.000 1.074 33 S CB 1.194 64.465 63.200 0.119 0.000 1.038 33 S HN 0.542 nan 8.310 nan 0.000 0.498 34 Y N 1.205 121.582 120.300 0.128 0.000 2.361 34 Y HA 0.513 5.063 4.550 0.001 0.000 0.337 34 Y C 0.606 176.506 175.900 0.000 0.000 0.965 34 Y CA -0.866 57.314 58.100 0.134 0.000 1.091 34 Y CB 1.206 39.825 38.460 0.266 0.000 1.182 34 Y HN 0.455 nan 8.280 nan 0.000 0.450 35 R N 3.085 123.639 120.500 0.091 0.000 2.797 35 R HA 0.391 4.731 4.340 0.001 0.000 0.251 35 R C -1.833 174.430 176.300 -0.062 0.000 1.107 35 R CA -1.979 53.998 56.100 -0.205 0.000 1.084 35 R CB 0.423 30.663 30.300 -0.101 0.000 1.205 35 R HN 0.306 nan 8.270 nan 0.000 0.515 36 P HA -0.325 nan 4.420 nan 0.000 0.225 36 P C 0.917 178.333 177.300 0.193 0.000 1.154 36 P CA 2.137 65.255 63.100 0.031 0.000 0.933 36 P CB 0.027 31.746 31.700 0.031 0.000 0.790 37 S N -2.740 113.049 115.700 0.149 0.000 2.607 37 S HA -0.025 4.446 4.470 0.001 0.000 0.224 37 S C 1.173 175.882 174.600 0.182 0.000 0.969 37 S CA 0.587 58.880 58.200 0.156 0.000 0.927 37 S CB -0.707 62.562 63.200 0.114 0.000 0.772 37 S HN 0.137 nan 8.310 nan 0.000 0.533 38 D N 0.254 120.805 120.400 0.251 0.000 2.369 38 D HA 0.170 4.811 4.640 0.001 0.000 0.211 38 D C 1.019 177.558 176.300 0.398 0.000 1.077 38 D CA -0.094 54.096 54.000 0.318 0.000 0.842 38 D CB -0.175 40.839 40.800 0.357 0.000 0.947 38 D HN 0.368 nan 8.370 nan 0.000 0.509 39 F N 2.655 122.679 119.950 0.123 0.000 2.154 39 F HA -0.150 4.377 4.527 0.001 0.000 0.301 39 F C 2.138 177.808 175.800 -0.217 0.000 1.087 39 F CA 1.597 59.431 58.000 -0.276 0.000 1.274 39 F CB -0.589 38.148 39.000 -0.438 0.000 1.009 39 F HN -0.030 nan 8.300 nan 0.000 0.485 40 G N -0.614 108.095 108.800 -0.152 0.000 2.418 40 G HA2 -0.170 3.791 3.960 0.001 0.000 0.217 40 G HA3 -0.170 3.791 3.960 0.001 0.000 0.217 40 G C 1.843 176.631 174.900 -0.186 0.000 1.158 40 G CA 0.878 45.819 45.100 -0.266 0.000 0.771 40 G HN 0.603 nan 8.290 nan 0.000 0.545 41 A N -0.284 122.545 122.820 0.015 0.000 1.968 41 A HA 0.064 4.384 4.320 0.001 0.000 0.217 41 A C 2.154 179.795 177.584 0.095 0.000 1.169 41 A CA 1.539 53.646 52.037 0.116 0.000 0.638 41 A CB -0.588 18.571 19.000 0.265 0.000 0.812 41 A HN 0.453 nan 8.150 nan 0.000 0.446 42 Y N 0.739 120.948 120.300 -0.153 0.000 2.097 42 Y HA -0.198 4.353 4.550 0.001 0.000 0.282 42 Y C 1.893 177.497 175.900 -0.493 0.000 1.152 42 Y CA 1.988 59.687 58.100 -0.668 0.000 1.136 42 Y CB -0.404 37.701 38.460 -0.592 0.000 0.975 42 Y HN 0.212 nan 8.280 nan 0.000 0.498 43 L N -0.066 120.771 121.223 -0.643 0.000 2.131 43 L HA -0.227 4.113 4.340 0.001 0.000 0.210 43 L C 2.091 178.669 176.870 -0.486 0.000 1.092 43 L CA 1.421 55.749 54.840 -0.854 0.000 0.759 43 L CB -0.571 40.796 42.059 -1.153 0.000 0.903 43 L HN 0.263 nan 8.230 nan 0.000 0.435 44 D N 0.253 120.461 120.400 -0.321 0.000 2.117 44 D HA -0.135 4.505 4.640 0.001 0.000 0.198 44 D C 2.260 178.481 176.300 -0.132 0.000 0.982 44 D CA 1.453 55.358 54.000 -0.160 0.000 0.828 44 D CB 0.058 40.802 40.800 -0.092 0.000 0.967 44 D HN 0.319 nan 8.370 nan 0.000 0.464 45 A N 0.957 123.672 122.820 -0.175 0.000 1.978 45 A HA -0.127 4.193 4.320 0.001 0.000 0.220 45 A C 2.383 179.862 177.584 -0.175 0.000 1.170 45 A CA 0.894 52.847 52.037 -0.140 0.000 0.636 45 A CB -0.653 18.268 19.000 -0.133 0.000 0.810 45 A HN 0.190 nan 8.150 nan 0.000 0.448 46 L N -0.948 120.122 121.223 -0.255 0.000 2.131 46 L HA -0.090 4.250 4.340 0.001 0.000 0.206 46 L C 2.486 179.357 176.870 0.002 0.000 1.087 46 L CA 0.919 55.685 54.840 -0.123 0.000 0.767 46 L CB -0.529 41.501 42.059 -0.049 0.000 0.917 46 L HN 0.330 nan 8.230 nan 0.000 0.441 47 E N 0.492 120.714 120.200 0.037 0.000 2.204 47 E HA -0.160 4.191 4.350 0.001 0.000 0.194 47 E C 2.239 178.839 176.600 0.000 0.000 0.989 47 E CA 1.194 57.623 56.400 0.048 0.000 0.824 47 E CB -0.008 29.733 29.700 0.067 0.000 0.756 47 E HN 0.449 nan 8.360 nan 0.000 0.477 48 A N 1.307 124.115 122.820 -0.019 0.000 1.898 48 A HA -0.195 4.125 4.320 0.001 0.000 0.216 48 A C 2.118 179.692 177.584 -0.017 0.000 1.181 48 A CA 1.667 53.692 52.037 -0.019 0.000 0.620 48 A CB -0.330 18.656 19.000 -0.023 0.000 0.819 48 A HN 0.117 nan 8.150 nan 0.000 0.442 49 E N -0.024 120.159 120.200 -0.028 0.000 2.153 49 E HA -0.103 4.248 4.350 0.001 0.000 0.194 49 E C 1.709 178.303 176.600 -0.012 0.000 0.988 49 E CA 1.434 57.818 56.400 -0.027 0.000 0.811 49 E CB -0.313 29.358 29.700 -0.047 0.000 0.746 49 E HN 0.273 nan 8.360 nan 0.000 0.466 50 V N 0.364 120.268 119.914 -0.016 0.000 2.591 50 V HA -0.107 4.014 4.120 0.001 0.000 0.249 50 V C 2.252 178.351 176.094 0.008 0.000 1.053 50 V CA 1.408 63.697 62.300 -0.020 0.000 1.068 50 V CB -0.626 31.168 31.823 -0.048 0.000 0.689 50 V HN 0.404 nan 8.190 nan 0.000 0.462 51 A N 0.181 123.004 122.820 0.005 0.000 1.898 51 A HA -0.167 4.153 4.320 0.001 0.000 0.216 51 A C 2.312 179.910 177.584 0.023 0.000 1.181 51 A CA 1.342 53.386 52.037 0.012 0.000 0.620 51 A CB -0.436 18.566 19.000 0.002 0.000 0.819 51 A HN 0.467 nan 8.150 nan 0.000 0.442 52 R N -1.168 119.343 120.500 0.018 0.000 2.316 52 R HA 0.096 4.436 4.340 0.001 0.000 0.202 52 R C 1.165 177.490 176.300 0.043 0.000 1.029 52 R CA 0.524 56.635 56.100 0.018 0.000 1.018 52 R CB -0.273 30.028 30.300 0.003 0.000 0.888 52 R HN 0.721 nan 8.270 nan 0.000 0.471 53 G N 0.206 109.063 108.800 0.095 0.000 2.176 53 G HA2 -0.246 3.714 3.960 0.001 0.000 0.252 53 G HA3 -0.246 3.714 3.960 0.001 0.000 0.252 53 G C 0.353 175.382 174.900 0.215 0.000 1.024 53 G CA 0.028 45.257 45.100 0.215 0.000 0.755 53 G HN 0.553 nan 8.290 nan 0.000 0.507 54 G N -1.266 107.597 108.800 0.105 0.000 2.509 54 G HA2 0.743 4.703 3.960 0.001 0.000 0.269 54 G HA3 0.743 4.703 3.960 0.001 0.000 0.269 54 G C -0.010 174.896 174.900 0.011 0.000 1.416 54 G CA -0.811 44.313 45.100 0.040 0.000 1.052 54 G HN 0.712 nan 8.290 nan 0.000 0.542 55 L N -0.741 120.435 121.223 -0.078 0.000 2.354 55 L HA 0.577 4.918 4.340 0.001 0.000 0.264 55 L C -0.844 175.946 176.870 -0.134 0.000 1.008 55 L CA -0.715 54.032 54.840 -0.155 0.000 0.819 55 L CB 2.501 44.358 42.059 -0.337 0.000 1.339 55 L HN 0.282 nan 8.230 nan 0.000 0.420 56 I N 1.970 122.468 120.570 -0.120 0.000 2.439 56 I HA 0.343 4.514 4.170 0.001 0.000 0.285 56 I C -0.788 175.250 176.117 -0.131 0.000 1.021 56 I CA -0.757 60.459 61.300 -0.141 0.000 1.091 56 I CB 2.156 40.098 38.000 -0.097 0.000 1.242 56 I HN 0.132 nan 8.210 nan 0.000 0.439 57 V N 6.760 126.567 119.914 -0.180 0.000 2.383 57 V HA 0.423 4.543 4.120 0.001 0.000 0.275 57 V C -0.561 175.472 176.094 -0.101 0.000 1.036 57 V CA -0.237 62.023 62.300 -0.066 0.000 0.889 57 V CB 0.945 32.762 31.823 -0.010 0.000 0.985 57 V HN 0.370 nan 8.190 nan 0.000 0.459 58 F N 2.331 122.384 119.950 0.171 0.000 2.551 58 F HA 0.464 4.992 4.527 0.001 0.000 0.316 58 F C 0.002 175.912 175.800 0.183 0.000 1.089 58 F CA -0.953 57.166 58.000 0.198 0.000 0.915 58 F CB 1.735 40.865 39.000 0.217 0.000 1.186 58 F HN 0.541 nan 8.300 nan 0.000 0.456 59 H N 2.639 121.922 119.070 0.355 0.000 2.705 59 H HA 0.270 4.827 4.556 0.001 0.000 0.291 59 H C 0.404 175.855 175.328 0.204 0.000 1.085 59 H CA 0.003 56.185 56.048 0.223 0.000 1.357 59 H CB 0.357 30.229 29.762 0.184 0.000 1.419 59 H HN 0.611 nan 8.280 nan 0.000 0.462 60 N N 2.472 121.033 118.700 -0.232 0.000 2.815 60 N HA -0.151 4.589 4.740 0.001 0.000 0.249 60 N C 1.042 176.585 175.510 0.054 0.000 1.114 60 N CA 1.026 54.011 53.050 -0.108 0.000 0.717 60 N CB -1.189 37.261 38.487 -0.061 0.000 1.074 60 N HN 0.844 nan 8.380 nan 0.000 0.555 61 G N -0.996 107.873 108.800 0.116 0.000 2.408 61 G HA2 -0.197 3.764 3.960 0.001 0.000 0.215 61 G HA3 -0.197 3.764 3.960 0.001 0.000 0.215 61 G C 1.111 176.089 174.900 0.130 0.000 1.156 61 G CA 0.930 46.076 45.100 0.077 0.000 0.793 61 G HN 0.564 nan 8.290 nan 0.000 0.535 62 H N 0.194 119.284 119.070 0.033 0.000 2.387 62 H HA -0.005 4.552 4.556 0.001 0.000 0.299 62 H C 2.335 177.550 175.328 -0.187 0.000 1.099 62 H CA 1.546 57.566 56.048 -0.047 0.000 1.315 62 H CB 0.038 29.847 29.762 0.078 0.000 1.380 62 H HN 0.409 nan 8.280 nan 0.000 0.513 63 K N -1.626 118.796 120.400 0.037 0.000 2.242 63 K HA -0.037 4.283 4.320 0.001 0.000 0.200 63 K C 1.383 177.979 176.600 -0.007 0.000 1.050 63 K CA 0.382 56.661 56.287 -0.014 0.000 0.981 63 K CB 0.342 32.860 32.500 0.030 0.000 0.795 63 K HN 0.189 nan 8.250 nan 0.000 0.477 64 Y N 0.485 120.718 120.300 -0.113 0.000 2.972 64 Y HA 0.111 4.662 4.550 0.001 0.000 0.211 64 Y C 1.068 176.861 175.900 -0.179 0.000 0.969 64 Y CA 0.955 58.974 58.100 -0.135 0.000 1.574 64 Y CB -0.134 38.256 38.460 -0.116 0.000 1.364 64 Y HN -0.001 nan 8.280 nan 0.000 0.467 65 D N 0.365 120.610 120.400 -0.259 0.000 2.154 65 D HA -0.255 4.385 4.640 0.001 0.000 0.190 65 D C 2.208 178.220 176.300 -0.479 0.000 1.003 65 D CA 2.659 56.378 54.000 -0.468 0.000 0.849 65 D CB -0.645 39.686 40.800 -0.781 0.000 0.942 65 D HN 0.248 nan 8.370 nan 0.000 0.446 66 V N 1.198 120.869 119.914 -0.404 0.000 2.261 66 V HA -0.146 3.975 4.120 0.001 0.000 0.246 66 V C -0.724 175.236 176.094 -0.224 0.000 1.047 66 V CA 1.928 64.093 62.300 -0.225 0.000 1.015 66 V CB -1.545 30.187 31.823 -0.151 0.000 0.642 66 V HN 0.270 nan 8.190 nan 0.000 0.446 67 P HA -0.087 nan 4.420 nan 0.000 0.223 67 P C 1.428 178.569 177.300 -0.264 0.000 1.151 67 P CA 1.876 64.805 63.100 -0.284 0.000 0.787 67 P CB 0.048 31.558 31.700 -0.316 0.000 0.788 68 A N -0.003 122.582 122.820 -0.391 0.000 2.014 68 A HA -0.022 4.298 4.320 0.001 0.000 0.218 68 A C 2.306 179.780 177.584 -0.183 0.000 1.163 68 A CA 0.822 52.609 52.037 -0.417 0.000 0.652 68 A CB -1.355 17.131 19.000 -0.857 0.000 0.808 68 A HN 0.133 nan 8.150 nan 0.000 0.449 69 L N -0.997 120.181 121.223 -0.073 0.000 2.313 69 L HA -0.062 4.278 4.340 0.001 0.000 0.214 69 L C 2.497 179.475 176.870 0.180 0.000 1.119 69 L CA 1.218 56.140 54.840 0.136 0.000 0.809 69 L CB -0.368 41.860 42.059 0.282 0.000 0.933 69 L HN 0.313 nan 8.230 nan 0.000 0.449 70 T N -0.635 113.958 114.554 0.065 0.000 2.851 70 T HA -0.174 4.176 4.350 0.001 0.000 0.262 70 T C 1.933 176.612 174.700 -0.034 0.000 1.043 70 T CA 1.145 63.231 62.100 -0.022 0.000 1.140 70 T CB 0.090 68.885 68.868 -0.122 0.000 0.872 70 T HN 0.218 nan 8.240 nan 0.000 0.446 71 K N 0.732 121.104 120.400 -0.048 0.000 2.062 71 K HA 0.093 4.414 4.320 0.001 0.000 0.205 71 K C 2.155 178.749 176.600 -0.011 0.000 1.051 71 K CA 0.838 57.100 56.287 -0.043 0.000 0.941 71 K CB -0.173 32.280 32.500 -0.078 0.000 0.719 71 K HN 0.267 nan 8.250 nan 0.000 0.440 72 L N 0.473 121.701 121.223 0.007 0.000 2.217 72 L HA -0.049 4.292 4.340 0.001 0.000 0.211 72 L C 2.443 179.432 176.870 0.198 0.000 1.107 72 L CA 0.866 55.734 54.840 0.047 0.000 0.783 72 L CB -0.321 41.709 42.059 -0.049 0.000 0.919 72 L HN 0.256 nan 8.230 nan 0.000 0.442 73 A N -0.341 122.583 122.820 0.173 0.000 2.067 73 A HA -0.157 4.163 4.320 0.001 0.000 0.217 73 A C 2.243 179.833 177.584 0.009 0.000 1.156 73 A CA 1.286 53.350 52.037 0.046 0.000 0.683 73 A CB -0.134 18.797 19.000 -0.115 0.000 0.808 73 A HN 0.178 nan 8.150 nan 0.000 0.455 74 K N 0.112 120.524 120.400 0.019 0.000 2.044 74 K HA 0.015 4.336 4.320 0.001 0.000 0.204 74 K C 1.620 178.231 176.600 0.017 0.000 1.045 74 K CA 1.385 57.677 56.287 0.008 0.000 0.951 74 K CB -0.431 32.071 32.500 0.004 0.000 0.738 74 K HN 0.381 nan 8.250 nan 0.000 0.443 75 L N -0.093 121.144 121.223 0.023 0.000 2.240 75 L HA 0.175 4.515 4.340 0.001 0.000 0.211 75 L C 1.875 178.766 176.870 0.035 0.000 1.106 75 L CA 1.327 56.180 54.840 0.021 0.000 0.793 75 L CB -1.102 40.963 42.059 0.009 0.000 0.927 75 L HN 0.111 nan 8.230 nan 0.000 0.446 76 Q N -0.190 119.650 119.800 0.067 0.000 2.226 76 Q HA 0.260 4.601 4.340 0.001 0.000 0.199 76 Q C 1.805 177.856 176.000 0.084 0.000 0.945 76 Q CA 0.794 56.655 55.803 0.096 0.000 0.861 76 Q CB 0.240 29.074 28.738 0.161 0.000 0.953 76 Q HN 0.527 nan 8.270 nan 0.000 0.490 77 L N -0.093 121.165 121.223 0.058 0.000 2.766 77 L HA 0.232 4.573 4.340 0.001 0.000 0.242 77 L C 0.116 176.972 176.870 -0.024 0.000 1.136 77 L CA -0.240 54.593 54.840 -0.011 0.000 0.933 77 L CB 0.068 42.058 42.059 -0.115 0.000 1.241 77 L HN 0.245 nan 8.230 nan 0.000 0.522 78 N N 2.339 121.035 118.700 -0.005 0.000 2.716 78 N HA -0.237 4.504 4.740 0.001 0.000 0.250 78 N C 0.138 175.638 175.510 -0.018 0.000 1.033 78 N CA 0.647 53.694 53.050 -0.005 0.000 0.727 78 N CB -0.363 38.124 38.487 -0.000 0.000 0.950 78 N HN 0.624 nan 8.380 nan 0.000 0.541 79 R N -1.025 119.454 120.500 -0.036 0.000 2.803 79 R HA 0.534 4.874 4.340 0.001 0.000 0.276 79 R C -0.958 175.329 176.300 -0.022 0.000 0.978 79 R CA -0.994 55.082 56.100 -0.039 0.000 0.939 79 R CB 1.082 31.332 30.300 -0.083 0.000 1.179 79 R HN -0.049 nan 8.270 nan 0.000 0.472 80 E N 2.354 122.557 120.200 0.004 0.000 2.152 80 E HA 0.161 4.512 4.350 0.001 0.000 0.285 80 E C -1.445 175.155 176.600 0.000 0.000 1.043 80 E CA -0.142 56.263 56.400 0.008 0.000 0.839 80 E CB 0.746 30.497 29.700 0.085 0.000 1.069 80 E HN 0.408 nan 8.360 nan 0.000 0.399 81 F N 4.252 123.970 119.950 -0.387 0.000 2.460 81 F HA 0.264 4.792 4.527 0.001 0.000 0.341 81 F C -0.703 174.715 175.800 -0.638 0.000 1.130 81 F CA -0.688 57.089 58.000 -0.372 0.000 0.962 81 F CB 0.790 39.618 39.000 -0.286 0.000 1.171 81 F HN 0.304 nan 8.300 nan 0.000 0.436 82 H N 7.714 126.443 119.070 -0.568 0.000 3.108 82 H HA 0.276 4.832 4.556 0.001 0.000 0.301 82 H C -0.678 174.365 175.328 -0.475 0.000 1.139 82 H CA -0.554 55.240 56.048 -0.424 0.000 1.552 82 H CB 1.622 31.266 29.762 -0.197 0.000 1.663 82 H HN 0.527 nan 8.280 nan 0.000 0.517 83 L N 4.872 125.833 121.223 -0.437 0.000 2.500 83 L HA 0.140 4.480 4.340 0.001 0.000 0.272 83 L C -1.850 174.979 176.870 -0.068 0.000 1.149 83 L CA -1.516 53.177 54.840 -0.245 0.000 0.897 83 L CB 0.211 42.219 42.059 -0.085 0.000 1.178 83 L HN 0.217 nan 8.230 nan 0.000 0.473 84 P HA 0.010 nan 4.420 nan 0.000 0.262 84 P C 0.520 177.524 177.300 -0.494 0.000 1.199 84 P CA -0.153 62.779 63.100 -0.280 0.000 0.763 84 P CB 0.479 32.012 31.700 -0.277 0.000 0.790 85 R N 5.056 124.985 120.500 -0.952 0.000 2.159 85 R HA -0.270 4.071 4.340 0.001 0.000 0.252 85 R C 1.538 177.387 176.300 -0.751 0.000 1.144 85 R CA 2.407 57.546 56.100 -1.602 0.000 0.961 85 R CB -0.376 28.734 30.300 -1.984 0.000 0.877 85 R HN 0.618 nan 8.270 nan 0.000 0.444 86 E N -0.451 119.410 120.200 -0.565 0.000 2.401 86 E HA -0.175 4.176 4.350 0.001 0.000 0.199 86 E C 0.499 177.013 176.600 -0.144 0.000 1.023 86 E CA 1.503 57.712 56.400 -0.319 0.000 0.859 86 E CB -0.289 29.161 29.700 -0.417 0.000 0.780 86 E HN 0.514 nan 8.360 nan 0.000 0.523 87 N N -0.380 118.160 118.700 -0.267 0.000 2.236 87 N HA 0.106 4.846 4.740 0.001 0.000 0.196 87 N C -0.741 174.757 175.510 -0.019 0.000 1.114 87 N CA -0.001 52.941 53.050 -0.181 0.000 0.859 87 N CB 0.708 39.065 38.487 -0.216 0.000 0.982 87 N HN 0.109 nan 8.380 nan 0.000 0.493 88 C N 1.077 120.434 119.300 0.094 0.000 2.355 88 C HA 0.561 5.022 4.460 0.001 0.000 0.332 88 C C 0.244 175.477 174.990 0.404 0.000 1.255 88 C CA -1.216 57.972 59.018 0.284 0.000 1.792 88 C CB -0.011 28.014 27.740 0.475 0.000 2.300 88 C HN 0.240 nan 8.230 nan 0.000 0.515 89 I N 2.362 123.091 120.570 0.265 0.000 2.530 89 I HA 0.383 4.553 4.170 0.001 0.000 0.297 89 I C -0.690 175.642 176.117 0.359 0.000 1.011 89 I CA 0.073 61.504 61.300 0.219 0.000 1.107 89 I CB 1.738 39.663 38.000 -0.124 0.000 1.285 89 I HN 0.574 nan 8.210 nan 0.000 0.436 90 D N 3.364 124.050 120.400 0.477 0.000 2.473 90 D HA 0.143 4.783 4.640 0.001 0.000 0.253 90 D C 0.992 177.347 176.300 0.092 0.000 1.233 90 D CA -0.286 53.791 54.000 0.127 0.000 0.908 90 D CB 1.662 42.265 40.800 -0.329 0.000 1.170 90 D HN 0.702 nan 8.370 nan 0.000 0.558 91 T N 1.255 115.878 114.554 0.114 0.000 2.803 91 T HA -0.225 4.126 4.350 0.001 0.000 0.269 91 T C 1.908 176.633 174.700 0.042 0.000 1.052 91 T CA 0.616 62.787 62.100 0.117 0.000 1.136 91 T CB -0.060 68.948 68.868 0.234 0.000 0.864 91 T HN 0.313 nan 8.240 nan 0.000 0.467 92 L N 1.205 122.311 121.223 -0.194 0.000 2.131 92 L HA 0.097 4.437 4.340 0.001 0.000 0.210 92 L C 2.496 179.294 176.870 -0.119 0.000 1.092 92 L CA 1.200 55.905 54.840 -0.224 0.000 0.759 92 L CB -0.689 41.065 42.059 -0.507 0.000 0.903 92 L HN 0.196 nan 8.230 nan 0.000 0.435 93 V N -0.641 119.164 119.914 -0.181 0.000 2.379 93 V HA -0.240 3.881 4.120 0.001 0.000 0.245 93 V C 2.516 178.543 176.094 -0.113 0.000 1.044 93 V CA 1.730 63.895 62.300 -0.225 0.000 1.036 93 V CB -0.461 31.048 31.823 -0.523 0.000 0.664 93 V HN 0.396 nan 8.190 nan 0.000 0.453 94 L N 0.012 121.228 121.223 -0.011 0.000 2.056 94 L HA -0.156 4.184 4.340 0.001 0.000 0.207 94 L C 2.764 179.647 176.870 0.021 0.000 1.078 94 L CA 1.808 56.685 54.840 0.062 0.000 0.749 94 L CB -0.707 41.453 42.059 0.169 0.000 0.901 94 L HN 0.430 nan 8.230 nan 0.000 0.433 95 S N 0.208 115.958 115.700 0.084 0.000 2.365 95 S HA -0.236 4.235 4.470 0.001 0.000 0.225 95 S C 2.106 176.903 174.600 0.328 0.000 1.039 95 S CA 1.482 59.848 58.200 0.277 0.000 1.033 95 S CB -0.142 63.318 63.200 0.433 0.000 0.887 95 S HN 0.339 nan 8.310 nan 0.000 0.447 96 R N -0.203 120.330 120.500 0.055 0.000 2.235 96 R HA 0.069 4.409 4.340 0.001 0.000 0.213 96 R C 2.161 178.452 176.300 -0.015 0.000 1.059 96 R CA 1.056 57.088 56.100 -0.114 0.000 0.997 96 R CB -0.253 29.880 30.300 -0.278 0.000 0.884 96 R HN 0.437 nan 8.270 nan 0.000 0.462 97 L N 0.019 121.217 121.223 -0.042 0.000 2.145 97 L HA 0.084 4.424 4.340 0.001 0.000 0.201 97 L C 1.744 178.484 176.870 -0.216 0.000 1.075 97 L CA 1.458 56.245 54.840 -0.089 0.000 0.773 97 L CB 0.040 42.041 42.059 -0.098 0.000 0.936 97 L HN 0.005 nan 8.230 nan 0.000 0.451 98 I N -0.692 119.668 120.570 -0.349 0.000 2.406 98 I HA -0.112 4.058 4.170 0.001 0.000 0.249 98 I C 0.543 176.404 176.117 -0.426 0.000 1.122 98 I CA 0.534 61.481 61.300 -0.588 0.000 1.431 98 I CB -0.176 37.407 38.000 -0.695 0.000 1.087 98 I HN 0.217 nan 8.210 nan 0.000 0.424 99 H N 0.596 119.707 119.070 0.067 0.000 2.369 99 H HA 0.248 4.804 4.556 0.001 0.000 0.228 99 H C 1.102 176.530 175.328 0.167 0.000 1.548 99 H CA 0.004 56.135 56.048 0.139 0.000 1.275 99 H CB 0.490 30.425 29.762 0.289 0.000 1.549 99 H HN 0.179 nan 8.280 nan 0.000 0.542 100 S N -0.127 115.654 115.700 0.135 0.000 2.603 100 S HA -0.061 4.409 4.470 0.001 0.000 0.220 100 S C 0.976 175.608 174.600 0.054 0.000 0.967 100 S CA 0.079 58.347 58.200 0.114 0.000 0.920 100 S CB -0.016 63.222 63.200 0.064 0.000 0.773 100 S HN 0.257 nan 8.310 nan 0.000 0.529 101 N N 0.189 118.888 118.700 -0.002 0.000 2.451 101 N HA 0.397 5.137 4.740 0.001 0.000 0.271 101 N C 0.723 176.157 175.510 -0.126 0.000 1.410 101 N CA -0.157 52.814 53.050 -0.131 0.000 0.884 101 N CB -0.115 38.150 38.487 -0.370 0.000 1.332 101 N HN 0.232 nan 8.380 nan 0.000 0.498 102 L N -0.052 121.108 121.223 -0.105 0.000 2.129 102 L HA -0.230 4.110 4.340 0.001 0.000 0.212 102 L C 1.986 178.654 176.870 -0.336 0.000 1.087 102 L CA 1.037 55.726 54.840 -0.251 0.000 0.757 102 L CB -0.167 41.633 42.059 -0.432 0.000 0.896 102 L HN 0.261 nan 8.230 nan 0.000 0.434 103 K N -0.154 120.064 120.400 -0.303 0.000 2.044 103 K HA -0.206 4.115 4.320 0.001 0.000 0.210 103 K C 1.653 178.183 176.600 -0.116 0.000 1.049 103 K CA 1.580 57.663 56.287 -0.339 0.000 0.927 103 K CB -0.486 31.939 32.500 -0.124 0.000 0.713 103 K HN 0.433 nan 8.250 nan 0.000 0.443 104 D N 0.008 120.363 120.400 -0.074 0.000 2.110 104 D HA -0.049 4.592 4.640 0.001 0.000 0.202 104 D C 1.720 178.012 176.300 -0.014 0.000 0.975 104 D CA 1.179 55.174 54.000 -0.008 0.000 0.839 104 D CB -0.154 40.618 40.800 -0.048 0.000 0.996 104 D HN 0.167 nan 8.370 nan 0.000 0.464 105 T N 1.241 115.756 114.554 -0.067 0.000 2.869 105 T HA -0.153 4.198 4.350 0.001 0.000 0.270 105 T C 1.049 175.716 174.700 -0.054 0.000 1.082 105 T CA 1.201 63.270 62.100 -0.051 0.000 1.123 105 T CB -0.134 68.697 68.868 -0.061 0.000 0.856 105 T HN 0.056 nan 8.240 nan 0.000 0.499 106 D N 0.174 120.529 120.400 -0.075 0.000 2.271 106 D HA 0.117 4.757 4.640 0.001 0.000 0.206 106 D C 1.999 178.399 176.300 0.167 0.000 0.967 106 D CA 0.242 54.226 54.000 -0.026 0.000 0.867 106 D CB -0.164 40.505 40.800 -0.218 0.000 0.960 106 D HN 0.160 nan 8.370 nan 0.000 0.509 107 M N 0.303 120.036 119.600 0.221 0.000 2.108 107 M HA -0.085 4.396 4.480 0.001 0.000 0.257 107 M C 2.274 178.619 176.300 0.075 0.000 1.071 107 M CA 1.442 56.841 55.300 0.165 0.000 1.093 107 M CB -1.477 31.190 32.600 0.112 0.000 1.345 107 M HN 0.100 nan 8.290 nan 0.000 0.403 108 G N -0.147 108.687 108.800 0.056 0.000 2.408 108 G HA2 -0.103 3.857 3.960 0.001 0.000 0.217 108 G HA3 -0.103 3.857 3.960 0.001 0.000 0.217 108 G C 1.661 176.578 174.900 0.028 0.000 1.150 108 G CA 0.372 45.492 45.100 0.034 0.000 0.776 108 G HN 0.454 nan 8.290 nan 0.000 0.542 109 L N 0.004 121.244 121.223 0.028 0.000 2.217 109 L HA 0.097 4.437 4.340 0.001 0.000 0.211 109 L C 2.608 179.492 176.870 0.024 0.000 1.107 109 L CA 0.018 54.868 54.840 0.016 0.000 0.783 109 L CB -0.357 41.692 42.059 -0.016 0.000 0.919 109 L HN 0.123 nan 8.230 nan 0.000 0.442 110 L N 0.031 121.280 121.223 0.043 0.000 2.044 110 L HA -0.091 4.249 4.340 0.001 0.000 0.205 110 L C 2.826 179.687 176.870 -0.014 0.000 1.075 110 L CA 1.617 56.463 54.840 0.010 0.000 0.747 110 L CB -0.714 41.330 42.059 -0.025 0.000 0.903 110 L HN 0.272 nan 8.230 nan 0.000 0.435 111 R N -0.437 120.058 120.500 -0.008 0.000 2.081 111 R HA -0.072 4.268 4.340 0.001 0.000 0.235 111 R C 2.233 178.532 176.300 -0.001 0.000 1.131 111 R CA 1.436 57.531 56.100 -0.010 0.000 0.960 111 R CB -0.604 29.695 30.300 -0.003 0.000 0.856 111 R HN 0.383 nan 8.270 nan 0.000 0.436 112 S N -0.961 114.744 115.700 0.008 0.000 2.383 112 S HA 0.000 4.471 4.470 0.001 0.000 0.227 112 S C 1.355 175.964 174.600 0.015 0.000 1.026 112 S CA 1.225 59.433 58.200 0.013 0.000 0.981 112 S CB 0.083 63.295 63.200 0.019 0.000 0.818 112 S HN 0.655 nan 8.310 nan 0.000 0.472 113 G N 1.503 110.311 108.800 0.014 0.000 2.144 113 G HA2 -0.241 3.719 3.960 0.001 0.000 0.218 113 G HA3 -0.241 3.719 3.960 0.001 0.000 0.218 113 G C 0.611 175.537 174.900 0.043 0.000 0.988 113 G CA 0.405 45.516 45.100 0.018 0.000 0.659 113 G HN 0.597 nan 8.290 nan 0.000 0.522 114 K N -1.017 119.413 120.400 0.050 0.000 2.426 114 K HA 0.653 4.973 4.320 0.001 0.000 0.193 114 K C 0.832 177.510 176.600 0.131 0.000 1.028 114 K CA 0.969 57.312 56.287 0.094 0.000 1.047 114 K CB 0.200 32.742 32.500 0.071 0.000 0.821 114 K HN 1.309 nan 8.250 nan 0.000 0.513 115 L N 1.502 122.740 121.223 0.026 0.000 2.441 115 L HA 0.540 4.880 4.340 0.001 0.000 0.270 115 L C -2.795 173.982 176.870 -0.154 0.000 0.973 115 L CA -2.177 52.603 54.840 -0.099 0.000 0.842 115 L CB 0.923 42.927 42.059 -0.092 0.000 1.239 115 L HN -0.093 nan 8.230 nan 0.000 0.406 116 P HA 0.209 nan 4.420 nan 0.000 0.266 116 P C 1.460 178.682 177.300 -0.130 0.000 1.193 116 P CA 0.964 63.935 63.100 -0.216 0.000 0.770 116 P CB 0.936 32.439 31.700 -0.327 0.000 0.836 117 G N 2.983 111.735 108.800 -0.080 0.000 2.440 117 G HA2 -0.282 3.678 3.960 0.001 0.000 0.218 117 G HA3 -0.282 3.678 3.960 0.001 0.000 0.218 117 G C 1.183 176.079 174.900 -0.006 0.000 1.154 117 G CA 0.906 45.978 45.100 -0.047 0.000 0.767 117 G HN 0.663 nan 8.290 nan 0.000 0.552 118 K N 0.122 120.502 120.400 -0.034 0.000 2.147 118 K HA -0.015 4.305 4.320 0.001 0.000 0.205 118 K C 1.941 178.536 176.600 -0.009 0.000 1.049 118 K CA 0.840 57.120 56.287 -0.012 0.000 0.936 118 K CB -0.136 32.347 32.500 -0.028 0.000 0.722 118 K HN 0.166 nan 8.250 nan 0.000 0.446 119 R N 0.683 121.143 120.500 -0.068 0.000 2.449 119 R HA 0.105 4.446 4.340 0.001 0.000 0.262 119 R C -0.449 175.798 176.300 -0.090 0.000 1.006 119 R CA -0.445 55.590 56.100 -0.109 0.000 1.104 119 R CB -0.248 29.913 30.300 -0.231 0.000 1.206 119 R HN 0.127 nan 8.270 nan 0.000 0.538 120 F N 1.801 121.666 119.950 -0.143 0.000 2.538 120 F HA 0.121 4.649 4.527 0.001 0.000 0.382 120 F C 1.218 176.941 175.800 -0.129 0.000 1.069 120 F CA 0.613 58.532 58.000 -0.135 0.000 1.138 120 F CB 0.233 39.177 39.000 -0.093 0.000 1.068 120 F HN 0.400 nan 8.300 nan 0.000 0.556 121 G N 3.973 112.287 108.800 -0.810 0.000 2.221 121 G HA2 -0.242 3.718 3.960 0.001 0.000 0.265 121 G HA3 -0.242 3.718 3.960 0.001 0.000 0.265 121 G C 0.091 174.738 174.900 -0.422 0.000 1.041 121 G CA 0.349 45.001 45.100 -0.747 0.000 0.807 121 G HN 1.023 nan 8.290 nan 0.000 0.502 122 S N -1.408 114.077 115.700 -0.358 0.000 2.489 122 S HA 0.611 5.081 4.470 0.001 0.000 0.291 122 S C 1.002 175.453 174.600 -0.249 0.000 1.151 122 S CA -0.348 57.745 58.200 -0.178 0.000 1.082 122 S CB 0.834 63.972 63.200 -0.102 0.000 1.019 122 S HN 0.369 nan 8.310 nan 0.000 0.492 123 H N 2.431 121.501 119.070 0.001 0.000 2.539 123 H HA 0.448 5.004 4.556 0.001 0.000 0.269 123 H C 1.128 176.669 175.328 0.356 0.000 0.980 123 H CA 0.517 56.687 56.048 0.203 0.000 1.152 123 H CB 0.072 30.013 29.762 0.298 0.000 1.407 123 H HN 0.723 nan 8.280 nan 0.000 0.564 124 A N 0.631 123.625 122.820 0.289 0.000 2.547 124 A HA -0.063 4.258 4.320 0.001 0.000 0.233 124 A C 1.683 179.405 177.584 0.230 0.000 1.067 124 A CA -0.089 52.119 52.037 0.284 0.000 0.763 124 A CB 0.093 19.179 19.000 0.143 0.000 1.007 124 A HN 0.524 nan 8.150 nan 0.000 0.506 125 L N 1.096 122.359 121.223 0.067 0.000 2.013 125 L HA -0.253 4.088 4.340 0.001 0.000 0.212 125 L C 3.092 180.014 176.870 0.087 0.000 1.073 125 L CA 2.527 57.279 54.840 -0.147 0.000 0.753 125 L CB -0.787 41.173 42.059 -0.164 0.000 0.890 125 L HN 1.062 nan 8.230 nan 0.000 0.432 126 E N -0.187 120.086 120.200 0.122 0.000 2.038 126 E HA -0.284 4.067 4.350 0.001 0.000 0.195 126 E C 2.133 178.868 176.600 0.225 0.000 1.000 126 E CA 1.731 58.244 56.400 0.190 0.000 0.803 126 E CB -1.104 28.710 29.700 0.190 0.000 0.750 126 E HN 0.683 nan 8.360 nan 0.000 0.448 127 A N -0.464 122.405 122.820 0.080 0.000 1.927 127 A HA -0.159 4.161 4.320 0.001 0.000 0.220 127 A C 2.186 179.700 177.584 -0.116 0.000 1.185 127 A CA 1.779 53.766 52.037 -0.084 0.000 0.639 127 A CB -0.972 17.881 19.000 -0.244 0.000 0.820 127 A HN 0.739 nan 8.150 nan 0.000 0.451 128 W N -0.455 120.861 121.300 0.026 0.000 2.467 128 W HA 0.093 4.754 4.660 0.001 0.000 0.275 128 W C 2.466 179.005 176.519 0.034 0.000 1.239 128 W CA 0.744 58.088 57.345 -0.002 0.000 1.266 128 W CB -0.270 29.168 29.460 -0.037 0.000 1.112 128 W HN 0.409 nan 8.180 nan 0.000 0.576 129 G N -0.526 108.430 108.800 0.259 0.000 2.418 129 G HA2 -0.318 3.643 3.960 0.001 0.000 0.217 129 G HA3 -0.318 3.643 3.960 0.001 0.000 0.217 129 G C 1.034 175.984 174.900 0.084 0.000 1.158 129 G CA 1.026 46.212 45.100 0.144 0.000 0.771 129 G HN 0.253 nan 8.290 nan 0.000 0.545 130 Y N 0.752 121.063 120.300 0.018 0.000 2.293 130 Y HA 0.031 4.581 4.550 0.001 0.000 0.291 130 Y C 3.046 178.935 175.900 -0.018 0.000 1.137 130 Y CA 1.149 59.243 58.100 -0.008 0.000 1.202 130 Y CB -0.100 38.336 38.460 -0.039 0.000 0.990 130 Y HN 0.072 nan 8.280 nan 0.000 0.537 131 R N -0.312 120.257 120.500 0.114 0.000 2.115 131 R HA -0.045 4.296 4.340 0.001 0.000 0.230 131 R C 1.627 178.003 176.300 0.128 0.000 1.111 131 R CA 1.175 57.301 56.100 0.044 0.000 0.976 131 R CB -0.299 29.926 30.300 -0.125 0.000 0.870 131 R HN 0.341 nan 8.270 nan 0.000 0.445 132 L N -0.627 120.700 121.223 0.172 0.000 2.585 132 L HA 0.263 4.603 4.340 0.001 0.000 0.226 132 L C 0.734 177.647 176.870 0.072 0.000 1.113 132 L CA 0.110 55.035 54.840 0.141 0.000 0.876 132 L CB 0.334 42.490 42.059 0.162 0.000 1.072 132 L HN 0.364 nan 8.230 nan 0.000 0.468 133 G N 1.163 109.988 108.800 0.043 0.000 2.324 133 G HA2 -0.222 3.738 3.960 0.001 0.000 0.292 133 G HA3 -0.222 3.738 3.960 0.001 0.000 0.292 133 G C 0.427 175.315 174.900 -0.021 0.000 1.079 133 G CA 0.106 45.205 45.100 -0.003 0.000 1.026 133 G HN 0.386 nan 8.290 nan 0.000 0.506 134 E N -0.913 119.267 120.200 -0.033 0.000 2.572 134 E HA 0.138 4.489 4.350 0.001 0.000 0.220 134 E C 1.075 177.633 176.600 -0.070 0.000 0.945 134 E CA -0.237 56.144 56.400 -0.032 0.000 1.070 134 E CB 0.169 29.873 29.700 0.007 0.000 1.090 134 E HN 0.476 nan 8.360 nan 0.000 0.506 135 M N 2.061 121.568 119.600 -0.156 0.000 2.266 135 M HA 0.072 4.553 4.480 0.001 0.000 0.340 135 M C 1.096 177.278 176.300 -0.197 0.000 1.486 135 M CA 0.524 55.678 55.300 -0.242 0.000 1.209 135 M CB 0.247 32.454 32.600 -0.655 0.000 1.714 135 M HN -0.040 nan 8.290 nan 0.000 0.459 136 K N 1.692 122.036 120.400 -0.092 0.000 2.355 136 K HA 0.499 4.819 4.320 0.001 0.000 0.198 136 K C 0.585 177.187 176.600 0.004 0.000 1.039 136 K CA 0.073 56.321 56.287 -0.065 0.000 1.075 136 K CB 0.688 33.142 32.500 -0.076 0.000 0.870 136 K HN 0.686 nan 8.250 nan 0.000 0.540 137 G N 0.743 109.590 108.800 0.079 0.000 2.336 137 G HA2 0.097 4.057 3.960 0.001 0.000 0.300 137 G HA3 0.097 4.057 3.960 0.001 0.000 0.300 137 G C -2.143 172.967 174.900 0.350 0.000 1.375 137 G CA -0.980 44.248 45.100 0.214 0.000 0.885 137 G HN 0.103 nan 8.290 nan 0.000 0.599 138 E N -0.210 120.087 120.200 0.162 0.000 2.224 138 E HA 0.357 4.707 4.350 0.001 0.000 0.265 138 E C 0.123 176.399 176.600 -0.540 0.000 0.878 138 E CA -1.070 55.297 56.400 -0.055 0.000 0.759 138 E CB 2.556 32.271 29.700 0.024 0.000 1.164 138 E HN 0.530 nan 8.360 nan 0.000 0.414 139 Y N 4.465 124.066 120.300 -1.166 0.000 2.030 139 Y HA -0.360 4.191 4.550 0.001 0.000 0.272 139 Y C 2.211 177.747 175.900 -0.607 0.000 1.185 139 Y CA 2.379 59.720 58.100 -1.265 0.000 1.120 139 Y CB 0.071 38.028 38.460 -0.839 0.000 0.955 139 Y HN 0.516 nan 8.280 nan 0.000 0.495 140 K N -0.203 119.916 120.400 -0.469 0.000 2.362 140 K HA -0.203 4.118 4.320 0.001 0.000 0.202 140 K C 1.069 177.456 176.600 -0.354 0.000 1.045 140 K CA 1.842 57.879 56.287 -0.417 0.000 0.936 140 K CB -0.202 32.205 32.500 -0.156 0.000 0.747 140 K HN 0.506 nan 8.250 nan 0.000 0.467 141 D N -0.205 120.005 120.400 -0.317 0.000 2.324 141 D HA -0.078 4.563 4.640 0.001 0.000 0.212 141 D C 0.949 177.123 176.300 -0.210 0.000 0.984 141 D CA 0.683 54.548 54.000 -0.224 0.000 0.885 141 D CB 0.023 40.746 40.800 -0.129 0.000 0.996 141 D HN 0.250 nan 8.370 nan 0.000 0.505 142 D N -0.869 119.389 120.400 -0.237 0.000 2.363 142 D HA -0.049 4.592 4.640 0.001 0.000 0.226 142 D C 1.097 177.289 176.300 -0.180 0.000 1.020 142 D CA 0.288 54.214 54.000 -0.123 0.000 0.892 142 D CB 0.114 40.962 40.800 0.079 0.000 0.900 142 D HN 0.021 nan 8.370 nan 0.000 0.531 143 F N 0.046 119.696 119.950 -0.501 0.000 2.532 143 F HA 0.177 4.704 4.527 0.001 0.000 0.278 143 F C 2.381 177.955 175.800 -0.378 0.000 0.975 143 F CA 1.045 58.738 58.000 -0.510 0.000 1.292 143 F CB -0.462 38.051 39.000 -0.811 0.000 1.112 143 F HN -0.121 nan 8.300 nan 0.000 0.703 144 K N 1.801 122.031 120.400 -0.283 0.000 2.009 144 K HA -0.179 4.141 4.320 0.001 0.000 0.210 144 K C 2.030 178.437 176.600 -0.322 0.000 1.049 144 K CA 2.112 58.157 56.287 -0.405 0.000 0.929 144 K CB -1.487 30.700 32.500 -0.522 0.000 0.714 144 K HN 0.608 nan 8.250 nan 0.000 0.440 145 R N -0.331 120.017 120.500 -0.252 0.000 2.092 145 R HA 0.104 4.444 4.340 0.001 0.000 0.231 145 R C 2.401 178.586 176.300 -0.192 0.000 1.119 145 R CA 1.605 57.591 56.100 -0.190 0.000 0.970 145 R CB -0.436 29.780 30.300 -0.140 0.000 0.864 145 R HN 0.427 nan 8.270 nan 0.000 0.440 146 M N 1.403 120.867 119.600 -0.226 0.000 2.630 146 M HA 0.051 4.532 4.480 0.001 0.000 0.254 146 M C 1.968 178.093 176.300 -0.292 0.000 1.092 146 M CA 0.982 56.147 55.300 -0.225 0.000 1.087 146 M CB 0.211 32.683 32.600 -0.214 0.000 1.453 146 M HN 0.346 nan 8.290 nan 0.000 0.509 147 L N -1.160 119.855 121.223 -0.347 0.000 2.270 147 L HA 0.040 4.381 4.340 0.001 0.000 0.210 147 L C 2.092 178.841 176.870 -0.202 0.000 1.104 147 L CA 1.213 55.847 54.840 -0.342 0.000 0.804 147 L CB -1.151 40.686 42.059 -0.370 0.000 0.937 147 L HN 0.304 nan 8.230 nan 0.000 0.450 148 E N 0.778 120.876 120.200 -0.170 0.000 2.072 148 E HA -0.060 4.290 4.350 0.001 0.000 0.190 148 E C 1.878 178.416 176.600 -0.103 0.000 0.982 148 E CA 1.305 57.635 56.400 -0.117 0.000 0.803 148 E CB -0.513 29.124 29.700 -0.105 0.000 0.755 148 E HN 0.846 nan 8.360 nan 0.000 0.453 149 E N 1.653 121.785 120.200 -0.113 0.000 2.322 149 E HA -0.001 4.349 4.350 0.001 0.000 0.195 149 E C 1.025 177.566 176.600 -0.098 0.000 1.198 149 E CA 0.239 56.582 56.400 -0.094 0.000 1.132 149 E CB -0.674 28.972 29.700 -0.090 0.000 1.213 149 E HN 0.319 nan 8.360 nan 0.000 0.450 150 Q N -2.792 116.945 119.800 -0.105 0.000 1.892 150 Q HA 0.314 4.654 4.340 0.001 0.000 0.200 150 Q C 1.433 177.384 176.000 -0.081 0.000 0.726 150 Q CA 0.238 55.981 55.803 -0.100 0.000 0.853 150 Q CB 1.554 30.209 28.738 -0.139 0.000 1.211 150 Q HN 0.654 nan 8.270 nan 0.000 0.420 151 G N 1.301 110.054 108.800 -0.078 0.000 3.922 151 G HA2 -0.371 3.589 3.960 0.001 0.000 0.208 151 G HA3 -0.371 3.589 3.960 0.001 0.000 0.208 151 G C 0.350 175.219 174.900 -0.051 0.000 1.491 151 G CA 0.043 45.109 45.100 -0.056 0.000 1.017 151 G HN 0.502 nan 8.290 nan 0.000 0.603 152 E N 1.460 121.629 120.200 -0.052 0.000 2.570 152 E HA 0.421 4.771 4.350 0.001 0.000 0.274 152 E C 0.889 177.472 176.600 -0.027 0.000 1.073 152 E CA 2.014 58.394 56.400 -0.033 0.000 1.005 152 E CB -0.719 28.961 29.700 -0.033 0.000 1.008 152 E HN 2.091 nan 8.360 nan 0.000 0.460 153 E N -0.492 119.713 120.200 0.007 0.000 4.495 153 E HA 0.610 4.960 4.350 0.001 0.000 0.377 153 E C -0.347 176.307 176.600 0.091 0.000 1.395 153 E CA 0.577 56.999 56.400 0.036 0.000 2.229 153 E CB 0.248 29.972 29.700 0.041 0.000 1.608 153 E HN 1.279 nan 8.360 nan 0.000 0.797 154 Y N -2.700 117.575 120.300 -0.043 0.000 2.513 154 Y HA 0.524 5.075 4.550 0.001 0.000 0.340 154 Y C -0.832 175.052 175.900 -0.026 0.000 1.055 154 Y CA -0.602 57.464 58.100 -0.057 0.000 1.020 154 Y CB 1.504 39.919 38.460 -0.075 0.000 1.301 154 Y HN 0.747 nan 8.280 nan 0.000 0.453 155 V N 1.853 121.256 119.914 -0.852 0.000 2.444 155 V HA 0.569 4.690 4.120 0.001 0.000 0.294 155 V C -0.034 175.556 176.094 -0.841 0.000 1.022 155 V CA -0.563 61.405 62.300 -0.552 0.000 0.850 155 V CB 0.867 32.614 31.823 -0.127 0.000 0.992 155 V HN 1.044 nan 8.190 nan 0.000 0.426 156 D N 3.836 123.988 120.400 -0.415 0.000 3.659 156 D HA 0.505 5.145 4.640 0.001 0.000 0.218 156 D C 1.295 177.484 176.300 -0.184 0.000 1.220 156 D CA 1.156 55.041 54.000 -0.193 0.000 0.803 156 D CB -0.293 40.491 40.800 -0.025 0.000 1.180 156 D HN 2.677 nan 8.370 nan 0.000 0.610 157 G N 1.778 110.489 108.800 -0.147 0.000 2.462 157 G HA2 0.101 4.061 3.960 0.001 0.000 0.283 157 G HA3 0.101 4.061 3.960 0.001 0.000 0.283 157 G C 0.681 175.392 174.900 -0.316 0.000 1.043 157 G CA 0.706 45.770 45.100 -0.061 0.000 1.300 157 G HN 1.918 nan 8.290 nan 0.000 0.518 158 M N -1.331 117.872 119.600 -0.663 0.000 2.241 158 M HA 0.344 4.825 4.480 0.001 0.000 0.374 158 M C 1.490 177.166 176.300 -1.041 0.000 0.922 158 M CA 0.309 54.692 55.300 -1.528 0.000 1.031 158 M CB 0.323 31.662 32.600 -2.102 0.000 1.864 158 M HN 0.155 nan 8.290 nan 0.000 0.636 159 E N 0.656 120.428 120.200 -0.714 0.000 2.516 159 E HA -0.109 4.241 4.350 0.001 0.000 0.199 159 E C 0.175 176.156 176.600 -1.031 0.000 1.069 159 E CA 0.720 56.370 56.400 -1.251 0.000 0.876 159 E CB -0.388 28.573 29.700 -1.232 0.000 0.843 159 E HN 0.864 nan 8.360 nan 0.000 0.530 160 W N -0.882 120.244 121.300 -0.290 0.000 3.005 160 W HA 0.297 4.957 4.660 0.001 0.000 0.374 160 W C 1.038 177.695 176.519 0.229 0.000 1.076 160 W CA -1.145 56.182 57.345 -0.030 0.000 1.794 160 W CB 0.012 29.492 29.460 0.035 0.000 1.113 160 W HN -0.063 nan 8.180 nan 0.000 0.584 161 W N 1.291 122.699 121.300 0.180 0.000 2.355 161 W HA -0.054 4.607 4.660 0.001 0.000 0.309 161 W C 0.488 177.111 176.519 0.173 0.000 1.206 161 W CA 0.966 58.419 57.345 0.180 0.000 1.284 161 W CB -1.081 28.441 29.460 0.103 0.000 1.145 161 W HN -0.244 nan 8.180 nan 0.000 0.502 162 N N -0.904 117.940 118.700 0.240 0.000 2.229 162 N HA 0.104 4.845 4.740 0.001 0.000 0.298 162 N C -1.299 174.079 175.510 -0.220 0.000 1.114 162 N CA -0.753 52.325 53.050 0.046 0.000 0.776 162 N CB 1.992 40.558 38.487 0.131 0.000 1.501 162 N HN -0.284 nan 8.380 nan 0.000 0.474 163 F N 2.515 122.186 119.950 -0.466 0.000 2.484 163 F HA 0.265 4.792 4.527 0.001 0.000 0.360 163 F C -0.097 175.623 175.800 -0.134 0.000 1.101 163 F CA -0.425 57.341 58.000 -0.391 0.000 1.251 163 F CB 0.113 38.970 39.000 -0.238 0.000 1.132 163 F HN 0.569 nan 8.300 nan 0.000 0.570 164 N N 2.716 120.881 118.700 -0.891 0.000 2.367 164 N HA 0.193 4.934 4.740 0.001 0.000 0.278 164 N C -0.142 174.927 175.510 -0.736 0.000 1.117 164 N CA -0.709 51.886 53.050 -0.759 0.000 0.867 164 N CB 1.037 39.388 38.487 -0.226 0.000 1.649 164 N HN 0.410 nan 8.380 nan 0.000 0.479 165 E N 0.798 120.664 120.200 -0.556 0.000 2.284 165 E HA -0.227 4.124 4.350 0.001 0.000 0.200 165 E C 0.411 176.987 176.600 -0.041 0.000 1.008 165 E CA 1.330 57.593 56.400 -0.228 0.000 0.829 165 E CB -0.002 29.628 29.700 -0.117 0.000 0.744 165 E HN 0.780 nan 8.360 nan 0.000 0.491 166 E N 0.007 120.212 120.200 0.008 0.000 2.150 166 E HA -0.101 4.250 4.350 0.001 0.000 0.193 166 E C 2.037 178.817 176.600 0.300 0.000 0.985 166 E CA 0.742 57.249 56.400 0.179 0.000 0.814 166 E CB -0.114 29.724 29.700 0.230 0.000 0.752 166 E HN 0.212 nan 8.360 nan 0.000 0.466 167 M N 0.229 119.914 119.600 0.141 0.000 2.156 167 M HA -0.091 4.390 4.480 0.001 0.000 0.264 167 M C 2.223 178.564 176.300 0.069 0.000 1.067 167 M CA 1.099 56.315 55.300 -0.140 0.000 1.131 167 M CB 0.080 32.519 32.600 -0.270 0.000 1.368 167 M HN 0.154 nan 8.290 nan 0.000 0.416 168 M N 0.796 120.521 119.600 0.207 0.000 2.346 168 M HA -0.200 4.281 4.480 0.001 0.000 0.263 168 M C 0.806 177.199 176.300 0.156 0.000 1.064 168 M CA 1.784 57.244 55.300 0.268 0.000 1.083 168 M CB -0.346 32.492 32.600 0.395 0.000 1.399 168 M HN 0.246 nan 8.290 nan 0.000 0.435 169 D N -1.796 118.674 120.400 0.115 0.000 2.324 169 D HA -0.025 4.615 4.640 0.001 0.000 0.212 169 D C 1.308 177.619 176.300 0.018 0.000 0.984 169 D CA 0.846 54.867 54.000 0.035 0.000 0.885 169 D CB -0.179 40.601 40.800 -0.034 0.000 0.996 169 D HN 0.401 nan 8.370 nan 0.000 0.505 170 Y N 1.380 121.716 120.300 0.060 0.000 2.561 170 Y HA -0.007 4.544 4.550 0.001 0.000 0.291 170 Y C 2.100 178.044 175.900 0.073 0.000 1.141 170 Y CA 0.470 58.615 58.100 0.075 0.000 1.303 170 Y CB -0.012 38.520 38.460 0.121 0.000 1.015 170 Y HN -0.037 nan 8.280 nan 0.000 0.547 171 N N -0.098 118.724 118.700 0.202 0.000 2.171 171 N HA -0.133 4.608 4.740 0.001 0.000 0.184 171 N C 1.795 177.411 175.510 0.176 0.000 1.021 171 N CA 1.255 54.410 53.050 0.175 0.000 0.854 171 N CB -0.094 38.479 38.487 0.142 0.000 0.994 171 N HN 0.190 nan 8.380 nan 0.000 0.426 172 V N 1.710 121.711 119.914 0.146 0.000 2.358 172 V HA -0.147 3.973 4.120 0.001 0.000 0.246 172 V C 2.676 178.838 176.094 0.113 0.000 1.047 172 V CA 1.284 63.669 62.300 0.141 0.000 1.035 172 V CB -0.585 31.259 31.823 0.034 0.000 0.658 172 V HN 0.352 nan 8.190 nan 0.000 0.452 173 Q N 0.133 119.974 119.800 0.069 0.000 2.152 173 Q HA -0.269 4.072 4.340 0.001 0.000 0.206 173 Q C 1.840 177.910 176.000 0.117 0.000 0.985 173 Q CA 2.125 57.962 55.803 0.057 0.000 0.863 173 Q CB -0.386 28.386 28.738 0.056 0.000 0.904 173 Q HN 0.660 nan 8.270 nan 0.000 0.422 174 D N -1.075 119.423 120.400 0.163 0.000 2.317 174 D HA -0.054 4.587 4.640 0.001 0.000 0.211 174 D C 1.750 178.143 176.300 0.155 0.000 0.966 174 D CA 0.313 54.410 54.000 0.161 0.000 0.876 174 D CB 0.311 41.221 40.800 0.183 0.000 0.927 174 D HN 0.058 nan 8.370 nan 0.000 0.519 175 V N 0.323 120.344 119.914 0.178 0.000 2.599 175 V HA -0.114 4.006 4.120 0.001 0.000 0.245 175 V C 2.505 178.674 176.094 0.125 0.000 1.046 175 V CA 1.134 63.541 62.300 0.179 0.000 1.065 175 V CB -0.019 31.954 31.823 0.250 0.000 0.703 175 V HN 0.218 nan 8.190 nan 0.000 0.464 176 V N -1.702 118.298 119.914 0.144 0.000 2.548 176 V HA -0.100 4.020 4.120 0.001 0.000 0.249 176 V C 2.141 178.252 176.094 0.028 0.000 1.055 176 V CA 1.831 64.172 62.300 0.068 0.000 1.065 176 V CB -0.562 31.297 31.823 0.059 0.000 0.681 176 V HN 0.274 nan 8.190 nan 0.000 0.462 177 V N 1.260 121.206 119.914 0.053 0.000 2.427 177 V HA -0.196 3.924 4.120 0.001 0.000 0.248 177 V C 2.792 178.904 176.094 0.030 0.000 1.051 177 V CA 2.597 64.925 62.300 0.047 0.000 1.048 177 V CB -1.234 30.628 31.823 0.065 0.000 0.666 177 V HN 0.657 nan 8.190 nan 0.000 0.456 178 T N -0.231 114.351 114.554 0.047 0.000 2.708 178 T HA -0.239 4.112 4.350 0.001 0.000 0.266 178 T C 1.957 176.681 174.700 0.040 0.000 1.037 178 T CA 1.875 64.011 62.100 0.060 0.000 1.146 178 T CB -0.199 68.745 68.868 0.127 0.000 0.865 178 T HN 0.466 nan 8.240 nan 0.000 0.435 179 K N 1.136 121.547 120.400 0.018 0.000 2.063 179 K HA -0.057 4.263 4.320 0.001 0.000 0.208 179 K C 2.456 179.061 176.600 0.009 0.000 1.048 179 K CA 1.344 57.633 56.287 0.003 0.000 0.928 179 K CB -0.328 32.067 32.500 -0.175 0.000 0.713 179 K HN 0.277 nan 8.250 nan 0.000 0.442 180 A N 1.666 124.479 122.820 -0.012 0.000 1.969 180 A HA -0.109 4.211 4.320 0.001 0.000 0.218 180 A C 2.060 179.632 177.584 -0.021 0.000 1.169 180 A CA 0.972 53.008 52.037 -0.003 0.000 0.635 180 A CB -0.510 18.495 19.000 0.008 0.000 0.810 180 A HN 0.431 nan 8.150 nan 0.000 0.445 181 L N -0.671 120.520 121.223 -0.053 0.000 2.072 181 L HA -0.076 4.264 4.340 0.001 0.000 0.205 181 L C 2.324 179.100 176.870 -0.156 0.000 1.079 181 L CA 2.000 56.734 54.840 -0.176 0.000 0.752 181 L CB -0.718 41.202 42.059 -0.232 0.000 0.906 181 L HN 0.428 nan 8.230 nan 0.000 0.436 182 L N 0.606 121.792 121.223 -0.063 0.000 2.017 182 L HA -0.190 4.151 4.340 0.001 0.000 0.208 182 L C 2.392 179.221 176.870 -0.069 0.000 1.073 182 L CA 1.770 56.581 54.840 -0.048 0.000 0.745 182 L CB -0.528 41.539 42.059 0.013 0.000 0.894 182 L HN 0.266 nan 8.230 nan 0.000 0.432 183 E N -0.790 119.399 120.200 -0.018 0.000 2.150 183 E HA -0.206 4.145 4.350 0.001 0.000 0.193 183 E C 1.977 178.567 176.600 -0.017 0.000 0.985 183 E CA 0.650 57.045 56.400 -0.008 0.000 0.814 183 E CB -0.132 29.598 29.700 0.050 0.000 0.752 183 E HN 0.242 nan 8.360 nan 0.000 0.466 184 K N 0.984 121.368 120.400 -0.025 0.000 2.148 184 K HA -0.086 4.235 4.320 0.001 0.000 0.204 184 K C 1.873 178.476 176.600 0.006 0.000 1.050 184 K CA 0.879 57.165 56.287 -0.002 0.000 0.942 184 K CB -0.002 32.478 32.500 -0.034 0.000 0.724 184 K HN 0.196 nan 8.250 nan 0.000 0.446 185 L N 0.113 121.305 121.223 -0.051 0.000 2.202 185 L HA -0.004 4.337 4.340 0.001 0.000 0.205 185 L C 2.243 179.098 176.870 -0.026 0.000 1.083 185 L CA 0.349 55.175 54.840 -0.023 0.000 0.790 185 L CB -0.243 41.786 42.059 -0.050 0.000 0.942 185 L HN 0.019 nan 8.230 nan 0.000 0.452 186 L N -0.092 121.003 121.223 -0.215 0.000 2.362 186 L HA -0.104 4.237 4.340 0.001 0.000 0.219 186 L C 2.458 179.289 176.870 -0.064 0.000 1.134 186 L CA 1.049 55.621 54.840 -0.447 0.000 0.807 186 L CB -0.477 41.320 42.059 -0.436 0.000 0.927 186 L HN 0.363 nan 8.230 nan 0.000 0.447 187 S N -2.525 113.190 115.700 0.026 0.000 2.603 187 S HA -0.050 4.420 4.470 0.001 0.000 0.220 187 S C 0.716 175.400 174.600 0.139 0.000 0.967 187 S CA -0.272 57.980 58.200 0.087 0.000 0.920 187 S CB -0.299 62.945 63.200 0.073 0.000 0.773 187 S HN 0.250 nan 8.310 nan 0.000 0.529 188 D N 1.670 122.186 120.400 0.194 0.000 2.422 188 D HA 0.266 4.907 4.640 0.001 0.000 0.227 188 D C 0.242 176.702 176.300 0.266 0.000 1.190 188 D CA -0.209 53.925 54.000 0.224 0.000 0.905 188 D CB 0.891 41.829 40.800 0.230 0.000 1.034 188 D HN -0.017 nan 8.370 nan 0.000 0.507 189 K N 1.121 121.636 120.400 0.190 0.000 2.585 189 K HA -0.134 4.186 4.320 0.001 0.000 0.194 189 K C 1.326 177.973 176.600 0.078 0.000 1.037 189 K CA 0.542 56.919 56.287 0.149 0.000 0.964 189 K CB -0.284 32.289 32.500 0.122 0.000 0.787 189 K HN 0.489 nan 8.250 nan 0.000 0.488 190 H N -1.735 117.310 119.070 -0.042 0.000 2.482 190 H HA 0.016 4.572 4.556 0.001 0.000 0.286 190 H C 0.713 175.738 175.328 -0.506 0.000 1.017 190 H CA 1.415 57.297 56.048 -0.276 0.000 1.322 190 H CB 0.272 29.786 29.762 -0.413 0.000 1.426 190 H HN 0.220 nan 8.280 nan 0.000 0.546 191 Y N -1.855 118.310 120.300 -0.225 0.000 2.498 191 Y HA 0.245 4.795 4.550 0.001 0.000 0.259 191 Y C -0.351 174.984 175.900 -0.943 0.000 1.086 191 Y CA -0.252 57.502 58.100 -0.578 0.000 1.287 191 Y CB 0.687 38.768 38.460 -0.631 0.000 1.146 191 Y HN -0.014 nan 8.280 nan 0.000 0.523 192 F N 1.087 120.985 119.950 -0.087 0.000 2.610 192 F HA 0.461 4.988 4.527 0.001 0.000 0.355 192 F C -2.698 173.147 175.800 0.074 0.000 1.140 192 F CA -3.387 54.477 58.000 -0.226 0.000 1.037 192 F CB 1.148 39.854 39.000 -0.490 0.000 1.287 192 F HN -0.265 nan 8.300 nan 0.000 0.457 193 P HA 0.056 nan 4.420 nan 0.000 0.266 193 P C -2.066 175.389 177.300 0.258 0.000 1.195 193 P CA -0.789 62.441 63.100 0.218 0.000 0.768 193 P CB 0.601 32.393 31.700 0.154 0.000 0.838 194 P HA -0.112 nan 4.420 nan 0.000 0.220 194 P C 0.766 178.097 177.300 0.052 0.000 1.152 194 P CA 1.229 64.396 63.100 0.111 0.000 0.812 194 P CB -0.090 31.659 31.700 0.081 0.000 0.792 195 E N -0.771 119.447 120.200 0.030 0.000 2.455 195 E HA -0.078 4.273 4.350 0.001 0.000 0.202 195 E C 0.236 176.792 176.600 -0.074 0.000 1.045 195 E CA 0.826 57.218 56.400 -0.014 0.000 0.872 195 E CB -0.752 28.942 29.700 -0.012 0.000 0.792 195 E HN 0.316 nan 8.360 nan 0.000 0.542 196 I N -0.002 120.495 120.570 -0.122 0.000 2.608 196 I HA 0.191 4.361 4.170 0.001 0.000 0.295 196 I C -0.756 175.160 176.117 -0.335 0.000 1.049 196 I CA -1.128 59.981 61.300 -0.319 0.000 1.063 196 I CB 2.072 39.686 38.000 -0.644 0.000 1.248 196 I HN -0.295 nan 8.210 nan 0.000 0.424 197 D N 3.864 124.078 120.400 -0.310 0.000 2.443 197 D HA 0.309 4.949 4.640 0.001 0.000 0.221 197 D C 0.403 176.542 176.300 -0.267 0.000 1.097 197 D CA -0.095 53.791 54.000 -0.190 0.000 0.865 197 D CB 0.398 41.133 40.800 -0.109 0.000 1.034 197 D HN 0.332 nan 8.370 nan 0.000 0.511 198 F N 1.033 120.918 119.950 -0.110 0.000 2.451 198 F HA -0.059 4.469 4.527 0.001 0.000 0.299 198 F C 2.550 178.266 175.800 -0.140 0.000 1.101 198 F CA 1.012 58.949 58.000 -0.104 0.000 1.436 198 F CB -0.185 38.695 39.000 -0.200 0.000 1.074 198 F HN 0.406 nan 8.300 nan 0.000 0.553 199 T N -3.982 110.501 114.554 -0.117 0.000 3.160 199 T HA -0.028 4.323 4.350 0.001 0.000 0.257 199 T C 0.403 174.912 174.700 -0.319 0.000 1.147 199 T CA 0.579 62.425 62.100 -0.423 0.000 1.064 199 T CB -0.224 68.226 68.868 -0.696 0.000 0.949 199 T HN 0.096 nan 8.240 nan 0.000 0.526 200 D N 0.847 121.149 120.400 -0.164 0.000 2.945 200 D HA 0.375 5.015 4.640 0.001 0.000 0.340 200 D C -0.589 175.648 176.300 -0.104 0.000 1.240 200 D CA -0.395 53.536 54.000 -0.116 0.000 0.749 200 D CB 0.916 41.667 40.800 -0.082 0.000 1.217 200 D HN 0.363 nan 8.370 nan 0.000 0.514 201 V N -2.435 117.427 119.914 -0.086 0.000 3.181 201 V HA 0.968 5.088 4.120 0.001 0.000 0.308 201 V C 0.642 176.708 176.094 -0.048 0.000 1.214 201 V CA -0.939 61.313 62.300 -0.080 0.000 1.053 201 V CB 1.294 33.046 31.823 -0.118 0.000 1.069 201 V HN 0.073 nan 8.190 nan 0.000 0.441 202 G N -0.247 108.515 108.800 -0.062 0.000 2.507 202 G HA2 0.373 4.333 3.960 0.001 0.000 0.271 202 G HA3 0.373 4.333 3.960 0.001 0.000 0.271 202 G C 0.146 175.017 174.900 -0.048 0.000 1.189 202 G CA 0.230 45.288 45.100 -0.070 0.000 0.859 202 G HN 1.439 nan 8.290 nan 0.000 0.542 203 Y N -0.294 119.972 120.300 -0.057 0.000 2.207 203 Y HA -0.209 4.342 4.550 0.001 0.000 0.287 203 Y C 2.593 178.510 175.900 0.029 0.000 1.156 203 Y CA 2.049 60.093 58.100 -0.093 0.000 1.182 203 Y CB -1.180 37.272 38.460 -0.014 0.000 0.979 203 Y HN 0.480 nan 8.280 nan 0.000 0.521 204 T N -3.555 110.717 114.554 -0.469 0.000 2.867 204 T HA -0.141 4.209 4.350 0.001 0.000 0.268 204 T C 1.648 176.357 174.700 0.015 0.000 1.057 204 T CA 1.689 63.671 62.100 -0.195 0.000 1.136 204 T CB -1.059 67.582 68.868 -0.379 0.000 0.874 204 T HN 0.453 nan 8.240 nan 0.000 0.466 205 T N 0.927 115.463 114.554 -0.030 0.000 3.014 205 T HA 0.199 4.549 4.350 0.001 0.000 0.263 205 T C 1.207 175.960 174.700 0.088 0.000 1.078 205 T CA 0.437 62.541 62.100 0.006 0.000 1.135 205 T CB -0.452 68.377 68.868 -0.063 0.000 0.895 205 T HN 0.414 nan 8.240 nan 0.000 0.480 206 F N 0.348 120.254 119.950 -0.073 0.000 2.134 206 F HA -0.025 4.502 4.527 0.001 0.000 0.299 206 F C 1.614 177.379 175.800 -0.057 0.000 1.097 206 F CA 1.119 59.089 58.000 -0.049 0.000 1.264 206 F CB -0.273 38.499 39.000 -0.381 0.000 1.001 206 F HN 0.239 nan 8.300 nan 0.000 0.479 207 W N -0.089 121.456 121.300 0.408 0.000 2.476 207 W HA -0.068 4.593 4.660 0.001 0.000 0.281 207 W C 2.835 179.442 176.519 0.146 0.000 1.230 207 W CA 0.868 58.370 57.345 0.262 0.000 1.287 207 W CB -0.665 28.946 29.460 0.252 0.000 1.108 207 W HN 0.102 nan 8.180 nan 0.000 0.567 208 S N -0.442 115.447 115.700 0.315 0.000 2.470 208 S HA -0.059 4.411 4.470 0.001 0.000 0.225 208 S C 1.394 176.081 174.600 0.145 0.000 1.006 208 S CA 0.801 59.123 58.200 0.203 0.000 0.934 208 S CB -0.146 63.142 63.200 0.146 0.000 0.778 208 S HN 0.057 nan 8.310 nan 0.000 0.517 209 E N 2.053 122.344 120.200 0.153 0.000 2.472 209 E HA 0.203 4.553 4.350 0.001 0.000 0.196 209 E C 0.659 177.387 176.600 0.213 0.000 1.033 209 E CA 0.220 56.715 56.400 0.160 0.000 0.886 209 E CB 0.482 30.245 29.700 0.104 0.000 0.944 209 E HN 0.738 nan 8.360 nan 0.000 0.492 210 S N 0.302 116.061 115.700 0.098 0.000 2.672 210 S HA 0.381 4.852 4.470 0.001 0.000 0.276 210 S C 0.306 174.821 174.600 -0.142 0.000 1.207 210 S CA -0.930 57.157 58.200 -0.189 0.000 1.002 210 S CB 1.502 64.406 63.200 -0.494 0.000 0.998 210 S HN 0.062 nan 8.310 nan 0.000 0.542 211 L N 1.506 122.563 121.223 -0.277 0.000 2.514 211 L HA 0.117 4.457 4.340 0.001 0.000 0.280 211 L C 1.805 178.667 176.870 -0.014 0.000 1.223 211 L CA 0.522 55.256 54.840 -0.176 0.000 0.864 211 L CB -0.025 41.851 42.059 -0.304 0.000 1.118 211 L HN 1.014 nan 8.230 nan 0.000 0.494 212 E N 3.033 123.274 120.200 0.069 0.000 2.160 212 E HA -0.255 4.095 4.350 0.001 0.000 0.195 212 E C 1.687 178.415 176.600 0.214 0.000 0.991 212 E CA 1.262 57.772 56.400 0.184 0.000 0.810 212 E CB 0.089 29.949 29.700 0.267 0.000 0.742 212 E HN 0.901 nan 8.360 nan 0.000 0.466 213 A N 0.465 123.394 122.820 0.181 0.000 1.978 213 A HA -0.160 4.160 4.320 0.001 0.000 0.220 213 A C 2.348 180.069 177.584 0.228 0.000 1.170 213 A CA 1.493 53.658 52.037 0.213 0.000 0.636 213 A CB -0.587 18.545 19.000 0.221 0.000 0.810 213 A HN 0.237 nan 8.150 nan 0.000 0.448 214 V N 0.421 120.466 119.914 0.219 0.000 2.343 214 V HA -0.251 3.870 4.120 0.001 0.000 0.247 214 V C 2.363 178.758 176.094 0.501 0.000 1.051 214 V CA 2.419 64.915 62.300 0.327 0.000 1.036 214 V CB -0.755 31.181 31.823 0.189 0.000 0.654 214 V HN 0.687 nan 8.190 nan 0.000 0.451 215 D N 0.026 120.644 120.400 0.364 0.000 2.103 215 D HA -0.094 4.547 4.640 0.001 0.000 0.199 215 D C 2.028 178.372 176.300 0.073 0.000 0.978 215 D CA 1.228 55.312 54.000 0.140 0.000 0.829 215 D CB -0.137 40.750 40.800 0.145 0.000 0.981 215 D HN 0.381 nan 8.370 nan 0.000 0.464 216 I N 0.566 121.228 120.570 0.153 0.000 2.226 216 I HA -0.184 3.987 4.170 0.001 0.000 0.245 216 I C 2.122 178.319 176.117 0.134 0.000 1.100 216 I CA 0.962 62.345 61.300 0.138 0.000 1.374 216 I CB -0.229 37.904 38.000 0.221 0.000 1.057 216 I HN 0.042 nan 8.210 nan 0.000 0.413 217 E N 0.017 120.319 120.200 0.169 0.000 2.204 217 E HA -0.213 4.138 4.350 0.001 0.000 0.194 217 E C 1.990 178.633 176.600 0.072 0.000 0.989 217 E CA 1.277 57.746 56.400 0.115 0.000 0.824 217 E CB -0.303 29.448 29.700 0.084 0.000 0.756 217 E HN 0.607 nan 8.360 nan 0.000 0.477 218 H N -0.213 118.926 119.070 0.114 0.000 2.436 218 H HA 0.136 4.692 4.556 0.001 0.000 0.294 218 H C 2.119 177.541 175.328 0.157 0.000 1.048 218 H CA 1.046 57.195 56.048 0.169 0.000 1.353 218 H CB 0.284 30.125 29.762 0.133 0.000 1.414 218 H HN -0.036 nan 8.280 nan 0.000 0.536 219 R N -0.112 120.444 120.500 0.094 0.000 2.090 219 R HA 0.042 4.382 4.340 0.001 0.000 0.228 219 R C 2.409 178.755 176.300 0.077 0.000 1.110 219 R CA 0.908 57.007 56.100 -0.003 0.000 0.973 219 R CB -0.044 30.185 30.300 -0.118 0.000 0.869 219 R HN 0.244 nan 8.270 nan 0.000 0.440 220 A N 1.092 123.956 122.820 0.075 0.000 1.933 220 A HA -0.088 4.232 4.320 0.001 0.000 0.218 220 A C 2.298 179.957 177.584 0.124 0.000 1.175 220 A CA 1.656 53.731 52.037 0.063 0.000 0.628 220 A CB -0.557 18.483 19.000 0.066 0.000 0.814 220 A HN 0.387 nan 8.150 nan 0.000 0.444 221 A N -1.484 121.445 122.820 0.181 0.000 1.929 221 A HA -0.124 4.196 4.320 0.001 0.000 0.216 221 A C 2.083 179.823 177.584 0.260 0.000 1.176 221 A CA 1.198 53.362 52.037 0.211 0.000 0.628 221 A CB -0.762 18.353 19.000 0.191 0.000 0.816 221 A HN 0.831 nan 8.150 nan 0.000 0.444 222 W N 0.243 121.595 121.300 0.085 0.000 2.379 222 W HA -0.158 4.503 4.660 0.001 0.000 0.307 222 W C 1.741 178.188 176.519 -0.121 0.000 1.200 222 W CA 1.806 59.078 57.345 -0.121 0.000 1.297 222 W CB -0.374 28.937 29.460 -0.249 0.000 1.140 222 W HN 0.351 nan 8.180 nan 0.000 0.507 223 L N 1.098 122.421 121.223 0.167 0.000 2.056 223 L HA -0.145 4.195 4.340 0.001 0.000 0.207 223 L C 2.434 179.302 176.870 -0.002 0.000 1.078 223 L CA 1.836 56.694 54.840 0.031 0.000 0.749 223 L CB -1.122 40.941 42.059 0.007 0.000 0.901 223 L HN -0.088 nan 8.230 nan 0.000 0.433 224 L N -0.883 120.372 121.223 0.053 0.000 2.156 224 L HA -0.106 4.235 4.340 0.001 0.000 0.208 224 L C 2.636 179.518 176.870 0.020 0.000 1.095 224 L CA 0.899 55.790 54.840 0.085 0.000 0.770 224 L CB -0.881 41.268 42.059 0.149 0.000 0.914 224 L HN 0.349 nan 8.230 nan 0.000 0.439 225 A N 0.481 123.276 122.820 -0.041 0.000 1.902 225 A HA -0.262 4.058 4.320 0.001 0.000 0.217 225 A C 2.304 179.794 177.584 -0.156 0.000 1.181 225 A CA 2.032 54.009 52.037 -0.099 0.000 0.623 225 A CB -0.391 18.501 19.000 -0.181 0.000 0.818 225 A HN 0.244 nan 8.150 nan 0.000 0.443 226 K N 0.224 120.479 120.400 -0.241 0.000 2.063 226 K HA -0.210 4.111 4.320 0.001 0.000 0.208 226 K C 2.178 178.654 176.600 -0.207 0.000 1.048 226 K CA 2.189 58.292 56.287 -0.307 0.000 0.928 226 K CB -0.469 31.773 32.500 -0.429 0.000 0.713 226 K HN 0.612 nan 8.250 nan 0.000 0.442 227 Q N 0.227 119.973 119.800 -0.090 0.000 2.124 227 Q HA -0.167 4.173 4.340 0.001 0.000 0.202 227 Q C 1.692 177.703 176.000 0.018 0.000 0.977 227 Q CA 1.642 57.443 55.803 -0.002 0.000 0.850 227 Q CB -0.027 28.775 28.738 0.108 0.000 0.901 227 Q HN 0.492 nan 8.270 nan 0.000 0.429 228 E N -0.065 120.158 120.200 0.039 0.000 2.110 228 E HA -0.168 4.182 4.350 0.001 0.000 0.193 228 E C 2.128 178.839 176.600 0.185 0.000 0.988 228 E CA 0.799 57.259 56.400 0.101 0.000 0.804 228 E CB 0.092 29.847 29.700 0.091 0.000 0.745 228 E HN 0.318 nan 8.360 nan 0.000 0.458 229 R N 0.453 121.013 120.500 0.101 0.000 2.115 229 R HA -0.030 4.310 4.340 0.001 0.000 0.226 229 R C 2.009 178.441 176.300 0.221 0.000 1.100 229 R CA 0.800 56.990 56.100 0.150 0.000 0.980 229 R CB -0.048 30.239 30.300 -0.023 0.000 0.875 229 R HN 0.111 nan 8.270 nan 0.000 0.445 230 N N 0.081 118.823 118.700 0.070 0.000 2.084 230 N HA -0.072 4.668 4.740 0.001 0.000 0.190 230 N C 1.046 176.738 175.510 0.303 0.000 1.030 230 N CA 1.474 54.600 53.050 0.125 0.000 0.849 230 N CB -0.382 37.965 38.487 -0.233 0.000 1.012 230 N HN 0.325 nan 8.380 nan 0.000 0.423 231 G N -0.008 108.803 108.800 0.019 0.000 2.795 231 G HA2 -0.228 3.732 3.960 0.001 0.000 0.664 231 G HA3 -0.228 3.732 3.960 0.001 0.000 0.664 231 G C -1.223 173.717 174.900 0.067 0.000 1.381 231 G CA -0.534 44.404 45.100 -0.270 0.000 0.853 231 G HN 0.199 nan 8.290 nan 0.000 0.545 232 F N 2.105 122.021 119.950 -0.057 0.000 2.375 232 F HA 0.614 5.142 4.527 0.001 0.000 0.361 232 F C -1.916 173.943 175.800 0.097 0.000 1.117 232 F CA -2.891 55.166 58.000 0.095 0.000 1.037 232 F CB 1.772 40.863 39.000 0.152 0.000 1.192 232 F HN 0.241 nan 8.300 nan 0.000 0.452 233 P HA -0.027 nan 4.420 nan 0.000 0.262 233 P C -1.192 176.291 177.300 0.306 0.000 1.182 233 P CA 0.667 63.916 63.100 0.249 0.000 0.761 233 P CB 0.111 31.916 31.700 0.175 0.000 0.795 234 F N 3.024 122.933 119.950 -0.068 0.000 2.529 234 F HA 0.340 4.867 4.527 0.001 0.000 0.320 234 F C -0.385 175.189 175.800 -0.376 0.000 1.118 234 F CA -1.072 56.732 58.000 -0.327 0.000 0.915 234 F CB 1.477 40.241 39.000 -0.393 0.000 1.161 234 F HN 0.092 nan 8.300 nan 0.000 0.445 235 D N 4.362 124.006 120.400 -1.260 0.000 2.483 235 D HA 0.158 4.799 4.640 0.001 0.000 0.220 235 D C 0.943 176.587 176.300 -1.093 0.000 1.173 235 D CA 0.204 53.499 54.000 -1.175 0.000 0.964 235 D CB 0.983 40.927 40.800 -1.426 0.000 1.046 235 D HN 0.672 nan 8.370 nan 0.000 0.517 236 T N 2.684 116.835 114.554 -0.672 0.000 2.684 236 T HA -0.152 4.198 4.350 0.001 0.000 0.267 236 T C 1.788 176.370 174.700 -0.197 0.000 1.036 236 T CA 0.835 62.756 62.100 -0.298 0.000 1.148 236 T CB 0.138 69.020 68.868 0.023 0.000 0.863 236 T HN 0.314 nan 8.240 nan 0.000 0.436 237 K N 1.457 121.750 120.400 -0.179 0.000 2.063 237 K HA 0.020 4.341 4.320 0.001 0.000 0.208 237 K C 2.613 179.149 176.600 -0.107 0.000 1.048 237 K CA 1.371 57.596 56.287 -0.105 0.000 0.928 237 K CB -0.779 31.668 32.500 -0.088 0.000 0.713 237 K HN 0.401 nan 8.250 nan 0.000 0.442 238 A N 1.593 124.301 122.820 -0.186 0.000 1.877 238 A HA -0.138 4.183 4.320 0.001 0.000 0.216 238 A C 2.151 179.686 177.584 -0.082 0.000 1.186 238 A CA 1.196 53.152 52.037 -0.135 0.000 0.620 238 A CB -0.361 18.526 19.000 -0.190 0.000 0.822 238 A HN 0.102 nan 8.150 nan 0.000 0.443 239 I N 0.366 120.854 120.570 -0.136 0.000 2.315 239 I HA -0.193 3.978 4.170 0.001 0.000 0.248 239 I C 2.296 178.468 176.117 0.091 0.000 1.117 239 I CA 1.418 62.734 61.300 0.026 0.000 1.404 239 I CB -1.623 36.458 38.000 0.134 0.000 1.071 239 I HN 0.479 nan 8.210 nan 0.000 0.419 240 E N 0.406 120.647 120.200 0.068 0.000 2.110 240 E HA -0.249 4.102 4.350 0.001 0.000 0.193 240 E C 2.014 178.679 176.600 0.109 0.000 0.988 240 E CA 1.042 57.517 56.400 0.125 0.000 0.804 240 E CB -0.039 29.713 29.700 0.088 0.000 0.745 240 E HN 0.391 nan 8.360 nan 0.000 0.458 241 E N 0.758 120.988 120.200 0.048 0.000 2.110 241 E HA -0.177 4.174 4.350 0.001 0.000 0.193 241 E C 1.878 178.504 176.600 0.043 0.000 0.988 241 E CA 0.490 56.908 56.400 0.030 0.000 0.804 241 E CB -0.075 29.631 29.700 0.011 0.000 0.745 241 E HN 0.098 nan 8.360 nan 0.000 0.458 242 L N -0.283 120.979 121.223 0.064 0.000 2.093 242 L HA -0.153 4.187 4.340 0.001 0.000 0.208 242 L C 2.063 178.975 176.870 0.069 0.000 1.085 242 L CA 1.635 56.513 54.840 0.064 0.000 0.755 242 L CB -0.669 41.440 42.059 0.084 0.000 0.904 242 L HN 0.229 nan 8.230 nan 0.000 0.435 243 Y N -0.475 119.800 120.300 -0.042 0.000 2.224 243 Y HA -0.187 4.363 4.550 0.001 0.000 0.289 243 Y C 2.250 178.115 175.900 -0.059 0.000 1.146 243 Y CA 1.724 59.787 58.100 -0.061 0.000 1.182 243 Y CB -0.680 37.758 38.460 -0.036 0.000 0.983 243 Y HN 0.062 nan 8.280 nan 0.000 0.524 244 V N 0.381 120.214 119.914 -0.135 0.000 2.307 244 V HA -0.248 3.872 4.120 0.001 0.000 0.245 244 V C 2.420 178.425 176.094 -0.148 0.000 1.045 244 V CA 2.149 64.318 62.300 -0.217 0.000 1.024 244 V CB -0.633 31.123 31.823 -0.111 0.000 0.651 244 V HN 0.386 nan 8.190 nan 0.000 0.449 245 E N 0.136 120.293 120.200 -0.072 0.000 2.077 245 E HA -0.211 4.139 4.350 0.001 0.000 0.193 245 E C 2.226 178.782 176.600 -0.073 0.000 0.989 245 E CA 1.433 57.809 56.400 -0.041 0.000 0.800 245 E CB -0.088 29.620 29.700 0.012 0.000 0.746 245 E HN 0.562 nan 8.360 nan 0.000 0.452 246 L N 0.219 121.371 121.223 -0.119 0.000 2.056 246 L HA -0.117 4.223 4.340 0.001 0.000 0.207 246 L C 2.693 179.482 176.870 -0.135 0.000 1.078 246 L CA 0.981 55.721 54.840 -0.165 0.000 0.749 246 L CB -0.446 41.488 42.059 -0.208 0.000 0.901 246 L HN 0.166 nan 8.230 nan 0.000 0.433 247 A N 0.170 122.884 122.820 -0.177 0.000 1.902 247 A HA -0.156 4.164 4.320 0.001 0.000 0.217 247 A C 2.539 180.048 177.584 -0.125 0.000 1.181 247 A CA 1.709 53.628 52.037 -0.196 0.000 0.623 247 A CB -0.694 18.055 19.000 -0.418 0.000 0.818 247 A HN 0.387 nan 8.150 nan 0.000 0.443 248 A N -0.315 122.436 122.820 -0.115 0.000 1.933 248 A HA -0.145 4.176 4.320 0.001 0.000 0.218 248 A C 2.184 179.754 177.584 -0.023 0.000 1.175 248 A CA 2.102 54.103 52.037 -0.061 0.000 0.628 248 A CB -0.405 18.564 19.000 -0.052 0.000 0.814 248 A HN 0.447 nan 8.150 nan 0.000 0.444 249 R N 0.099 120.586 120.500 -0.023 0.000 2.092 249 R HA -0.035 4.306 4.340 0.001 0.000 0.231 249 R C 2.212 178.528 176.300 0.026 0.000 1.119 249 R CA 1.764 57.871 56.100 0.013 0.000 0.970 249 R CB -0.596 29.717 30.300 0.020 0.000 0.864 249 R HN 0.561 nan 8.270 nan 0.000 0.440 250 R N -0.439 120.048 120.500 -0.022 0.000 2.081 250 R HA -0.048 4.293 4.340 0.001 0.000 0.235 250 R C 1.882 178.255 176.300 0.121 0.000 1.131 250 R CA 1.928 58.021 56.100 -0.012 0.000 0.960 250 R CB -0.253 29.975 30.300 -0.119 0.000 0.856 250 R HN 0.215 nan 8.270 nan 0.000 0.436 251 S N 0.493 116.231 115.700 0.063 0.000 2.355 251 S HA -0.154 4.316 4.470 0.001 0.000 0.222 251 S C 1.666 176.315 174.600 0.083 0.000 1.031 251 S CA 1.480 59.723 58.200 0.073 0.000 0.993 251 S CB -0.243 62.972 63.200 0.025 0.000 0.859 251 S HN 0.378 nan 8.310 nan 0.000 0.453 252 E N 1.381 121.620 120.200 0.065 0.000 2.077 252 E HA -0.058 4.293 4.350 0.001 0.000 0.193 252 E C 1.870 178.524 176.600 0.090 0.000 0.989 252 E CA 0.963 57.400 56.400 0.062 0.000 0.800 252 E CB -0.327 29.401 29.700 0.048 0.000 0.746 252 E HN 0.423 nan 8.360 nan 0.000 0.452 253 L N -0.264 121.042 121.223 0.138 0.000 2.093 253 L HA -0.124 4.217 4.340 0.001 0.000 0.208 253 L C 2.314 179.293 176.870 0.181 0.000 1.085 253 L CA 0.541 55.494 54.840 0.187 0.000 0.755 253 L CB -0.374 41.868 42.059 0.306 0.000 0.904 253 L HN 0.281 nan 8.230 nan 0.000 0.435 254 L N 0.321 121.672 121.223 0.212 0.000 2.017 254 L HA -0.230 4.111 4.340 0.001 0.000 0.208 254 L C 2.717 179.647 176.870 0.099 0.000 1.073 254 L CA 1.763 56.689 54.840 0.143 0.000 0.745 254 L CB -0.694 41.471 42.059 0.176 0.000 0.894 254 L HN 0.149 nan 8.230 nan 0.000 0.432 255 R N -0.272 120.278 120.500 0.083 0.000 2.080 255 R HA -0.207 4.134 4.340 0.001 0.000 0.236 255 R C 2.303 178.625 176.300 0.036 0.000 1.137 255 R CA 2.065 58.196 56.100 0.052 0.000 0.943 255 R CB -0.236 30.088 30.300 0.039 0.000 0.846 255 R HN 0.368 nan 8.270 nan 0.000 0.431 256 K N 0.251 120.672 120.400 0.035 0.000 2.097 256 K HA -0.131 4.190 4.320 0.001 0.000 0.206 256 K C 2.133 178.720 176.600 -0.022 0.000 1.049 256 K CA 1.413 57.702 56.287 0.003 0.000 0.933 256 K CB -0.120 32.386 32.500 0.010 0.000 0.717 256 K HN 0.286 nan 8.250 nan 0.000 0.442 257 L N 0.767 122.011 121.223 0.034 0.000 2.240 257 L HA -0.095 4.245 4.340 0.001 0.000 0.211 257 L C 2.423 179.322 176.870 0.048 0.000 1.106 257 L CA 1.170 56.039 54.840 0.049 0.000 0.793 257 L CB -0.561 41.633 42.059 0.225 0.000 0.927 257 L HN 0.320 nan 8.230 nan 0.000 0.446 258 T N -4.493 110.116 114.554 0.092 0.000 3.113 258 T HA -0.076 4.274 4.350 0.001 0.000 0.256 258 T C 1.602 176.308 174.700 0.009 0.000 1.131 258 T CA 0.333 62.493 62.100 0.100 0.000 1.074 258 T CB 0.108 69.034 68.868 0.097 0.000 0.944 258 T HN 0.177 nan 8.240 nan 0.000 0.516 259 E N 1.169 121.341 120.200 -0.046 0.000 2.140 259 E HA -0.011 4.339 4.350 0.001 0.000 0.191 259 E C 1.901 178.406 176.600 -0.157 0.000 0.973 259 E CA 0.839 57.195 56.400 -0.074 0.000 0.829 259 E CB -0.153 29.509 29.700 -0.064 0.000 0.781 259 E HN 0.494 nan 8.360 nan 0.000 0.466 260 T N 0.484 114.861 114.554 -0.295 0.000 2.770 260 T HA 0.004 4.354 4.350 0.001 0.000 0.258 260 T C 0.296 174.612 174.700 -0.640 0.000 1.039 260 T CA 0.835 62.605 62.100 -0.550 0.000 1.143 260 T CB -0.083 68.254 68.868 -0.885 0.000 0.866 260 T HN -0.056 nan 8.240 nan 0.000 0.428 261 F N 0.258 120.050 119.950 -0.264 0.000 2.450 261 F HA 0.671 5.198 4.527 0.001 0.000 0.332 261 F C 0.995 176.748 175.800 -0.078 0.000 1.093 261 F CA -1.338 56.498 58.000 -0.273 0.000 1.003 261 F CB 1.155 39.714 39.000 -0.735 0.000 1.151 261 F HN 0.079 nan 8.300 nan 0.000 0.474 262 G N 0.590 109.527 108.800 0.228 0.000 3.441 262 G HA2 0.498 4.459 3.960 0.001 0.000 0.195 262 G HA3 0.498 4.459 3.960 0.001 0.000 0.195 262 G C -0.688 174.334 174.900 0.203 0.000 1.633 262 G CA -0.346 44.859 45.100 0.175 0.000 0.895 262 G HN 0.530 nan 8.290 nan 0.000 0.654 263 S N -0.922 114.850 115.700 0.120 0.000 2.689 263 S HA 0.755 5.226 4.470 0.001 0.000 0.306 263 S C -1.313 173.389 174.600 0.170 0.000 1.104 263 S CA -0.312 57.791 58.200 -0.161 0.000 0.973 263 S CB 1.715 64.662 63.200 -0.422 0.000 1.121 263 S HN 0.831 nan 8.310 nan 0.000 0.523 264 W N -0.653 120.589 121.300 -0.095 0.000 3.057 264 W HA 0.665 5.325 4.660 0.001 0.000 0.328 264 W C -2.593 173.940 176.519 0.023 0.000 1.232 264 W CA -1.159 56.216 57.345 0.050 0.000 1.187 264 W CB -0.033 29.452 29.460 0.043 0.000 1.417 264 W HN 0.518 nan 8.180 nan 0.000 0.569 265 Y N 2.733 123.286 120.300 0.421 0.000 2.387 265 Y HA 0.530 5.081 4.550 0.001 0.000 0.330 265 Y C 0.459 176.573 175.900 0.356 0.000 1.133 265 Y CA -0.493 57.769 58.100 0.271 0.000 1.152 265 Y CB 2.017 40.577 38.460 0.168 0.000 1.215 265 Y HN 0.458 nan 8.280 nan 0.000 0.466 266 Q N 2.655 122.686 119.800 0.384 0.000 2.340 266 Q HA 0.485 4.826 4.340 0.001 0.000 0.276 266 Q C -3.250 172.880 176.000 0.216 0.000 1.048 266 Q CA -2.600 53.398 55.803 0.324 0.000 0.832 266 Q CB 2.692 31.665 28.738 0.391 0.000 1.373 266 Q HN 0.254 nan 8.270 nan 0.000 0.409 267 P HA -0.034 nan 4.420 nan 0.000 0.263 267 P C -0.995 176.366 177.300 0.101 0.000 1.175 267 P CA 0.265 63.431 63.100 0.109 0.000 0.761 267 P CB 0.511 32.260 31.700 0.082 0.000 0.794 268 K N 2.087 122.533 120.400 0.078 0.000 2.651 268 K HA 0.508 4.829 4.320 0.001 0.000 0.259 268 K C 0.342 176.967 176.600 0.042 0.000 1.017 268 K CA 0.146 56.473 56.287 0.068 0.000 0.897 268 K CB 0.490 33.040 32.500 0.084 0.000 1.262 268 K HN 0.614 nan 8.250 nan 0.000 0.460 269 G N 2.106 110.921 108.800 0.025 0.000 2.391 269 G HA2 -0.156 3.804 3.960 0.001 0.000 0.204 269 G HA3 -0.156 3.804 3.960 0.001 0.000 0.204 269 G C 0.580 175.464 174.900 -0.027 0.000 1.012 269 G CA -0.132 44.971 45.100 0.005 0.000 0.651 269 G HN 1.066 nan 8.290 nan 0.000 0.494 270 G N 0.489 109.260 108.800 -0.048 0.000 2.349 270 G HA2 0.422 4.383 3.960 0.001 0.000 0.232 270 G HA3 0.422 4.383 3.960 0.001 0.000 0.232 270 G C 1.131 176.010 174.900 -0.035 0.000 1.240 270 G CA 1.628 46.685 45.100 -0.072 0.000 0.870 270 G HN 1.463 nan 8.290 nan 0.000 0.528 271 T N -1.457 113.072 114.554 -0.041 0.000 3.075 271 T HA 0.206 4.556 4.350 0.001 0.000 0.251 271 T C 0.806 175.501 174.700 -0.007 0.000 0.979 271 T CA 0.528 62.617 62.100 -0.018 0.000 1.033 271 T CB 0.039 68.894 68.868 -0.020 0.000 1.104 271 T HN 0.731 nan 8.240 nan 0.000 0.473 272 E N 1.250 121.442 120.200 -0.013 0.000 2.250 272 E HA 0.550 4.901 4.350 0.001 0.000 0.265 272 E C -0.712 175.904 176.600 0.027 0.000 1.033 272 E CA -0.984 55.417 56.400 0.003 0.000 0.888 272 E CB 1.081 30.778 29.700 -0.005 0.000 1.151 272 E HN 0.178 nan 8.360 nan 0.000 0.412 273 M N 2.108 121.729 119.600 0.036 0.000 2.180 273 M HA 0.197 4.677 4.480 0.001 0.000 0.358 273 M C -0.552 175.800 176.300 0.086 0.000 1.233 273 M CA -0.730 54.613 55.300 0.071 0.000 1.114 273 M CB 0.604 33.238 32.600 0.055 0.000 1.594 273 M HN 0.566 nan 8.290 nan 0.000 0.467 274 F N 3.536 123.476 119.950 -0.018 0.000 2.578 274 F HA 0.116 4.643 4.527 0.001 0.000 0.376 274 F C -0.513 175.263 175.800 -0.041 0.000 1.085 274 F CA -0.288 57.677 58.000 -0.059 0.000 1.260 274 F CB 0.403 39.334 39.000 -0.116 0.000 1.095 274 F HN 0.484 nan 8.300 nan 0.000 0.573 275 C N 6.106 124.919 119.300 -0.812 0.000 2.376 275 C HA 0.263 4.723 4.460 0.001 0.000 0.335 275 C C -0.143 174.314 174.990 -0.888 0.000 1.229 275 C CA -0.744 57.910 59.018 -0.607 0.000 1.867 275 C CB 0.338 27.892 27.740 -0.311 0.000 2.319 275 C HN 0.893 nan 8.230 nan 0.000 0.515 276 H N 3.292 122.049 119.070 -0.521 0.000 3.094 276 H HA 0.038 4.594 4.556 0.001 0.000 0.320 276 H C -1.647 173.499 175.328 -0.304 0.000 1.000 276 H CA 0.072 55.911 56.048 -0.349 0.000 1.413 276 H CB 0.711 30.391 29.762 -0.137 0.000 1.405 276 H HN 0.427 nan 8.280 nan 0.000 0.586 277 P HA -0.171 nan 4.420 nan 0.000 0.215 277 P C 1.322 178.590 177.300 -0.055 0.000 1.157 277 P CA 1.606 64.570 63.100 -0.227 0.000 0.868 277 P CB 0.216 31.795 31.700 -0.201 0.000 0.788 278 R N -1.501 119.051 120.500 0.088 0.000 2.075 278 R HA 0.026 4.367 4.340 0.001 0.000 0.220 278 R C 2.013 178.409 176.300 0.161 0.000 1.118 278 R CA 1.533 57.730 56.100 0.161 0.000 0.986 278 R CB -0.530 29.887 30.300 0.196 0.000 0.884 278 R HN 0.081 nan 8.270 nan 0.000 0.439 279 T N -1.280 113.434 114.554 0.267 0.000 2.937 279 T HA 0.093 4.443 4.350 0.001 0.000 0.260 279 T C 1.120 175.820 174.700 -0.000 0.000 1.051 279 T CA 1.215 63.322 62.100 0.011 0.000 1.141 279 T CB 0.192 68.927 68.868 -0.223 0.000 0.879 279 T HN 0.589 nan 8.240 nan 0.000 0.459 280 G N 2.042 110.858 108.800 0.026 0.000 2.176 280 G HA2 -0.250 3.711 3.960 0.001 0.000 0.232 280 G HA3 -0.250 3.711 3.960 0.001 0.000 0.232 280 G C 0.154 175.022 174.900 -0.054 0.000 0.986 280 G CA 0.269 45.346 45.100 -0.039 0.000 0.643 280 G HN 0.737 nan 8.290 nan 0.000 0.522 281 K N 0.850 121.228 120.400 -0.038 0.000 2.270 281 K HA 0.566 4.886 4.320 0.001 0.000 0.276 281 K C -2.676 173.904 176.600 -0.033 0.000 1.023 281 K CA -1.520 54.744 56.287 -0.039 0.000 0.955 281 K CB 0.961 33.433 32.500 -0.047 0.000 0.975 281 K HN 0.044 nan 8.250 nan 0.000 0.471 282 P HA -0.004 nan 4.420 nan 0.000 0.267 282 P C -1.071 176.262 177.300 0.056 0.000 1.205 282 P CA 0.092 63.191 63.100 -0.003 0.000 0.765 282 P CB 0.438 32.142 31.700 0.007 0.000 0.828 283 L N 6.839 128.133 121.223 0.118 0.000 2.335 283 L HA 0.284 4.624 4.340 0.001 0.000 0.268 283 L C -1.543 175.486 176.870 0.265 0.000 1.037 283 L CA -1.804 53.185 54.840 0.248 0.000 0.895 283 L CB 1.652 43.982 42.059 0.452 0.000 1.266 283 L HN 0.262 nan 8.230 nan 0.000 0.439 284 P HA -0.198 nan 4.420 nan 0.000 0.215 284 P C 1.002 178.369 177.300 0.112 0.000 1.153 284 P CA 1.197 64.367 63.100 0.116 0.000 0.853 284 P CB 0.113 31.853 31.700 0.066 0.000 0.788 285 K N -2.323 118.128 120.400 0.086 0.000 2.569 285 K HA -0.027 4.294 4.320 0.001 0.000 0.193 285 K C -0.381 176.184 176.600 -0.058 0.000 1.026 285 K CA 0.304 56.587 56.287 -0.005 0.000 1.093 285 K CB -0.520 31.934 32.500 -0.076 0.000 0.849 285 K HN 0.131 nan 8.250 nan 0.000 0.509 286 Y N 1.441 121.778 120.300 0.062 0.000 2.409 286 Y HA 0.328 4.878 4.550 0.001 0.000 0.339 286 Y C -2.125 173.788 175.900 0.021 0.000 1.033 286 Y CA -2.740 55.379 58.100 0.031 0.000 1.094 286 Y CB 1.342 39.837 38.460 0.058 0.000 1.210 286 Y HN -0.016 nan 8.280 nan 0.000 0.456 287 P HA 0.018 nan 4.420 nan 0.000 0.267 287 P C -0.340 177.010 177.300 0.084 0.000 1.201 287 P CA 0.021 63.177 63.100 0.093 0.000 0.775 287 P CB 0.579 32.316 31.700 0.061 0.000 0.854 288 R N 1.838 122.371 120.500 0.056 0.000 2.774 288 R HA 0.379 4.719 4.340 0.001 0.000 0.269 288 R C 0.681 176.972 176.300 -0.015 0.000 1.068 288 R CA -0.092 56.032 56.100 0.041 0.000 1.180 288 R CB -0.042 30.271 30.300 0.022 0.000 1.077 288 R HN 0.559 nan 8.270 nan 0.000 0.513 289 I N -2.725 117.826 120.570 -0.032 0.000 3.294 289 I HA 0.541 4.711 4.170 0.001 0.000 0.311 289 I C -0.773 175.226 176.117 -0.196 0.000 1.111 289 I CA -1.227 59.996 61.300 -0.129 0.000 0.976 289 I CB 2.232 40.199 38.000 -0.054 0.000 1.260 289 I HN 0.200 nan 8.210 nan 0.000 0.474 290 K N 0.890 121.057 120.400 -0.388 0.000 2.345 290 K HA 0.534 4.854 4.320 0.001 0.000 0.255 290 K C -1.320 175.161 176.600 -0.199 0.000 0.934 290 K CA -0.580 55.486 56.287 -0.368 0.000 0.801 290 K CB 2.237 34.341 32.500 -0.659 0.000 1.137 290 K HN 0.660 nan 8.250 nan 0.000 0.424 291 T N 5.479 119.995 114.554 -0.063 0.000 2.963 291 T HA 0.248 4.599 4.350 0.001 0.000 0.343 291 T C -2.366 172.343 174.700 0.015 0.000 1.146 291 T CA -1.393 60.712 62.100 0.008 0.000 1.016 291 T CB 0.719 69.589 68.868 0.003 0.000 1.046 291 T HN 0.400 nan 8.240 nan 0.000 0.496 292 P HA 0.162 nan 4.420 nan 0.000 0.265 292 P C 0.241 177.551 177.300 0.016 0.000 1.193 292 P CA -0.222 62.874 63.100 -0.008 0.000 0.765 292 P CB 1.241 32.897 31.700 -0.074 0.000 0.823 293 K N 0.902 121.314 120.400 0.019 0.000 2.404 293 K HA 0.160 4.481 4.320 0.001 0.000 0.194 293 K C 0.753 177.372 176.600 0.031 0.000 1.023 293 K CA 0.273 56.573 56.287 0.023 0.000 1.094 293 K CB 0.200 32.711 32.500 0.020 0.000 0.841 293 K HN 0.459 nan 8.250 nan 0.000 0.523 294 V N -4.180 115.759 119.914 0.042 0.000 3.206 294 V HA 0.889 5.010 4.120 0.001 0.000 0.305 294 V C -0.434 175.697 176.094 0.062 0.000 1.257 294 V CA -0.603 61.725 62.300 0.047 0.000 1.057 294 V CB 1.530 33.380 31.823 0.046 0.000 1.075 294 V HN 0.227 nan 8.190 nan 0.000 0.443 295 G N -1.042 107.789 108.800 0.051 0.000 2.525 295 G HA2 0.570 4.530 3.960 0.001 0.000 0.685 295 G HA3 0.570 4.530 3.960 0.001 0.000 0.685 295 G C -0.286 174.633 174.900 0.031 0.000 1.285 295 G CA -0.088 45.040 45.100 0.046 0.000 0.849 295 G HN 2.513 nan 8.290 nan 0.000 0.653 296 G N -1.272 107.532 108.800 0.006 0.000 2.677 296 G HA2 0.683 4.643 3.960 0.001 0.000 0.283 296 G HA3 0.683 4.643 3.960 0.001 0.000 0.283 296 G C 0.158 175.015 174.900 -0.072 0.000 1.221 296 G CA 0.396 45.495 45.100 -0.001 0.000 0.851 296 G HN 1.086 nan 8.290 nan 0.000 0.504 297 I N -0.598 119.904 120.570 -0.113 0.000 3.616 297 I HA 0.446 4.617 4.170 0.001 0.000 0.296 297 I C -0.435 175.278 176.117 -0.673 0.000 1.226 297 I CA 0.084 61.142 61.300 -0.403 0.000 1.394 297 I CB 0.170 37.875 38.000 -0.492 0.000 1.171 297 I HN 0.170 nan 8.210 nan 0.000 0.442 298 F N 0.833 120.781 119.950 -0.003 0.000 2.547 298 F HA 0.455 4.983 4.527 0.001 0.000 0.316 298 F C 0.325 176.124 175.800 -0.002 0.000 1.121 298 F CA -1.200 56.798 58.000 -0.004 0.000 0.911 298 F CB 1.145 40.144 39.000 -0.003 0.000 1.179 298 F HN -0.356 nan 8.300 nan 0.000 0.443 299 K N 2.465 122.958 120.400 0.155 0.000 2.412 299 K HA 0.288 4.609 4.320 0.001 0.000 0.284 299 K C 0.446 177.102 176.600 0.093 0.000 1.046 299 K CA -0.219 56.123 56.287 0.091 0.000 0.999 299 K CB 0.412 32.947 32.500 0.058 0.000 0.941 299 K HN 0.782 nan 8.250 nan 0.000 0.474 300 K N 4.546 124.988 120.400 0.070 0.000 2.591 300 K HA -0.023 4.297 4.320 0.001 0.000 0.280 300 K C -1.873 174.750 176.600 0.038 0.000 0.964 300 K CA -0.526 55.792 56.287 0.052 0.000 1.014 300 K CB -1.132 31.391 32.500 0.038 0.000 0.877 300 K HN 0.498 nan 8.250 nan 0.000 0.502 301 P HA 0.377 nan 4.420 nan 0.000 0.272 301 P C 0.191 177.499 177.300 0.013 0.000 1.254 301 P CA 0.571 63.680 63.100 0.015 0.000 0.795 301 P CB 0.627 32.329 31.700 0.003 0.000 1.022 302 K N -1.631 118.774 120.400 0.009 0.000 2.430 302 K HA 0.077 4.398 4.320 0.001 0.000 0.158 302 K C -0.032 176.571 176.600 0.005 0.000 1.655 302 K CA -0.291 56.001 56.287 0.008 0.000 1.051 302 K CB -0.896 31.610 32.500 0.011 0.000 1.547 302 K HN 0.634 nan 8.250 nan 0.000 0.505 303 N N 0.507 119.209 118.700 0.004 0.000 2.284 303 N HA 0.421 5.161 4.740 0.001 0.000 0.300 303 N C 1.185 176.695 175.510 -0.001 0.000 1.047 303 N CA 0.618 53.669 53.050 0.002 0.000 0.821 303 N CB 2.004 40.492 38.487 0.002 0.000 1.337 303 N HN 0.291 nan 8.380 nan 0.000 0.482 304 K N 1.858 122.257 120.400 -0.002 0.000 2.286 304 K HA -0.125 4.196 4.320 0.001 0.000 0.203 304 K C 1.726 178.322 176.600 -0.006 0.000 1.045 304 K CA 1.976 58.261 56.287 -0.004 0.000 0.935 304 K CB -0.824 31.674 32.500 -0.003 0.000 0.737 304 K HN 0.680 nan 8.250 nan 0.000 0.460 305 A N -0.268 122.548 122.820 -0.007 0.000 1.929 305 A HA 0.138 4.459 4.320 0.001 0.000 0.216 305 A C 2.479 180.054 177.584 -0.015 0.000 1.176 305 A CA 2.060 54.091 52.037 -0.010 0.000 0.628 305 A CB -0.408 18.587 19.000 -0.009 0.000 0.816 305 A HN 0.806 nan 8.150 nan 0.000 0.444 306 Q N -1.585 118.207 119.800 -0.013 0.000 2.282 306 Q HA 0.352 4.693 4.340 0.001 0.000 0.206 306 Q C 1.574 177.564 176.000 -0.016 0.000 0.878 306 Q CA 0.892 56.683 55.803 -0.019 0.000 0.944 306 Q CB -1.064 27.664 28.738 -0.016 0.000 1.100 306 Q HN 0.818 nan 8.270 nan 0.000 0.509 307 R N -0.045 120.448 120.500 -0.011 0.000 2.823 307 R HA 0.548 4.889 4.340 0.001 0.000 0.250 307 R C 1.251 177.545 176.300 -0.010 0.000 1.332 307 R CA 1.709 57.804 56.100 -0.008 0.000 1.259 307 R CB -1.325 28.972 30.300 -0.005 0.000 1.225 307 R HN 0.977 nan 8.270 nan 0.000 0.545 308 E N -2.251 117.940 120.200 -0.015 0.000 1.448 308 E HA 0.324 4.674 4.350 0.001 0.000 0.223 308 E C 0.849 177.435 176.600 -0.023 0.000 1.059 308 E CA 0.563 56.953 56.400 -0.017 0.000 1.247 308 E CB -0.552 29.139 29.700 -0.014 0.000 4.496 308 E HN 1.897 nan 8.360 nan 0.000 0.768 309 G N -1.179 107.605 108.800 -0.027 0.000 2.588 309 G HA2 0.669 4.630 3.960 0.001 0.000 0.239 309 G HA3 0.669 4.630 3.960 0.001 0.000 0.239 309 G C -0.130 174.750 174.900 -0.034 0.000 1.275 309 G CA 1.253 46.331 45.100 -0.037 0.000 1.181 309 G HN 1.529 nan 8.290 nan 0.000 0.595 310 R N -0.221 120.257 120.500 -0.038 0.000 3.055 310 R HA 0.951 5.292 4.340 0.001 0.000 0.091 310 R C 0.722 177.002 176.300 -0.033 0.000 0.481 310 R CA 1.401 57.482 56.100 -0.031 0.000 0.260 310 R CB -1.187 29.100 30.300 -0.022 0.000 0.447 310 R HN 2.339 nan 8.270 nan 0.000 0.315 311 E N 2.514 122.700 120.200 -0.023 0.000 2.529 311 E HA 0.424 4.774 4.350 0.001 0.000 0.259 311 E C -2.150 174.435 176.600 -0.024 0.000 0.966 311 E CA -0.606 55.782 56.400 -0.019 0.000 0.937 311 E CB -0.874 28.820 29.700 -0.011 0.000 0.923 311 E HN 0.504 nan 8.360 nan 0.000 0.468 312 P HA 0.054 nan 4.420 nan 0.000 0.264 312 P C 0.253 177.554 177.300 0.002 0.000 1.183 312 P CA -0.453 62.633 63.100 -0.023 0.000 0.763 312 P CB 0.641 32.338 31.700 -0.005 0.000 0.807 313 C N 2.123 121.428 119.300 0.008 0.000 8.321 313 C HA 0.143 4.603 4.460 0.001 0.000 0.269 313 C C 0.867 175.898 174.990 0.068 0.000 1.287 313 C CA 0.364 59.404 59.018 0.038 0.000 2.009 313 C CB -1.073 26.696 27.740 0.049 0.000 1.770 313 C HN 0.613 nan 8.230 nan 0.000 0.284 314 E N 0.018 120.289 120.200 0.117 0.000 2.506 314 E HA 0.364 4.714 4.350 0.001 0.000 0.308 314 E C -0.975 175.704 176.600 0.132 0.000 0.931 314 E CA -0.317 56.145 56.400 0.104 0.000 0.800 314 E CB 0.653 30.387 29.700 0.056 0.000 1.292 314 E HN 0.569 nan 8.360 nan 0.000 0.401 315 L N 0.948 122.234 121.223 0.105 0.000 2.492 315 L HA 0.406 4.747 4.340 0.001 0.000 0.280 315 L C 0.201 177.029 176.870 -0.070 0.000 1.240 315 L CA -0.208 54.613 54.840 -0.033 0.000 0.831 315 L CB 0.322 42.326 42.059 -0.091 0.000 1.100 315 L HN 0.456 nan 8.230 nan 0.000 0.505 316 D N 0.722 121.031 120.400 -0.152 0.000 2.225 316 D HA 0.210 4.851 4.640 0.001 0.000 0.248 316 D C 0.656 176.889 176.300 -0.112 0.000 1.096 316 D CA -0.361 53.575 54.000 -0.106 0.000 0.863 316 D CB 1.944 42.680 40.800 -0.107 0.000 1.156 316 D HN 0.692 nan 8.370 nan 0.000 0.450 317 T N 2.116 116.621 114.554 -0.083 0.000 3.014 317 T HA -0.049 4.302 4.350 0.001 0.000 0.263 317 T C 0.974 175.608 174.700 -0.110 0.000 1.078 317 T CA 0.086 62.133 62.100 -0.087 0.000 1.135 317 T CB -0.041 68.787 68.868 -0.065 0.000 0.895 317 T HN 0.273 nan 8.240 nan 0.000 0.480 318 R N 2.947 123.385 120.500 -0.103 0.000 2.619 318 R HA -0.086 4.254 4.340 0.001 0.000 0.268 318 R C 1.276 177.463 176.300 -0.189 0.000 0.990 318 R CA 0.549 56.571 56.100 -0.131 0.000 1.092 318 R CB 0.233 30.487 30.300 -0.076 0.000 0.935 318 R HN 0.562 nan 8.270 nan 0.000 0.415 319 E N 2.339 122.345 120.200 -0.323 0.000 2.318 319 E HA -0.061 4.290 4.350 0.001 0.000 0.193 319 E C -0.279 176.101 176.600 -0.366 0.000 0.998 319 E CA 0.335 56.500 56.400 -0.392 0.000 0.859 319 E CB -0.113 29.265 29.700 -0.536 0.000 0.812 319 E HN 0.509 nan 8.360 nan 0.000 0.492 320 Y N 0.828 121.029 120.300 -0.164 0.000 2.374 320 Y HA 0.445 4.995 4.550 0.001 0.000 0.322 320 Y C 0.077 175.912 175.900 -0.109 0.000 1.275 320 Y CA -1.544 56.445 58.100 -0.185 0.000 1.307 320 Y CB 1.365 39.705 38.460 -0.201 0.000 1.282 320 Y HN -0.239 nan 8.280 nan 0.000 0.509 321 V N 1.462 121.445 119.914 0.114 0.000 2.447 321 V HA 0.508 4.628 4.120 0.001 0.000 0.292 321 V C -0.278 175.850 176.094 0.057 0.000 1.021 321 V CA -1.666 60.667 62.300 0.056 0.000 0.850 321 V CB 1.000 32.840 31.823 0.029 0.000 1.005 321 V HN 0.939 nan 8.190 nan 0.000 0.426 322 A N 3.675 126.527 122.820 0.052 0.000 2.572 322 A HA 0.457 4.777 4.320 0.001 0.000 0.256 322 A C 1.572 179.179 177.584 0.039 0.000 1.041 322 A CA 1.419 53.481 52.037 0.043 0.000 0.790 322 A CB -0.613 18.410 19.000 0.038 0.000 0.947 322 A HN 2.202 nan 8.150 nan 0.000 0.518 323 G N 1.684 110.507 108.800 0.038 0.000 2.604 323 G HA2 0.191 4.152 3.960 0.001 0.000 0.205 323 G HA3 0.191 4.152 3.960 0.001 0.000 0.205 323 G C 0.724 175.653 174.900 0.048 0.000 1.186 323 G CA 0.207 45.328 45.100 0.036 0.000 0.753 323 G HN 2.295 nan 8.290 nan 0.000 0.526 324 A N 3.701 126.556 122.820 0.058 0.000 2.484 324 A HA 0.595 4.915 4.320 0.001 0.000 0.268 324 A C -1.400 176.261 177.584 0.128 0.000 1.114 324 A CA -0.051 52.033 52.037 0.078 0.000 0.780 324 A CB -0.088 18.953 19.000 0.068 0.000 1.061 324 A HN 0.429 nan 8.150 nan 0.000 0.505 325 P HA 0.426 nan 4.420 nan 0.000 0.284 325 P C -1.333 176.097 177.300 0.216 0.000 1.253 325 P CA 0.118 63.313 63.100 0.158 0.000 0.800 325 P CB 0.804 32.571 31.700 0.113 0.000 0.961 326 Y N -1.826 118.460 120.300 -0.024 0.000 2.581 326 Y HA 0.617 5.167 4.550 0.001 0.000 0.345 326 Y C -0.648 175.236 175.900 -0.027 0.000 1.036 326 Y CA -1.526 56.563 58.100 -0.019 0.000 1.042 326 Y CB 0.273 38.740 38.460 0.012 0.000 1.289 326 Y HN 0.115 nan 8.280 nan 0.000 0.471 327 T N 4.927 119.414 114.554 -0.112 0.000 2.738 327 T HA 0.402 4.752 4.350 0.001 0.000 0.298 327 T C -2.639 172.006 174.700 -0.090 0.000 0.962 327 T CA -1.146 60.854 62.100 -0.167 0.000 0.972 327 T CB 0.493 69.315 68.868 -0.077 0.000 0.928 327 T HN 0.401 nan 8.240 nan 0.000 0.474 328 P HA 0.298 nan 4.420 nan 0.000 0.268 328 P C -0.717 176.630 177.300 0.078 0.000 1.205 328 P CA -0.409 62.698 63.100 0.012 0.000 0.771 328 P CB 0.562 32.233 31.700 -0.047 0.000 0.858 329 V N -0.670 119.334 119.914 0.149 0.000 3.114 329 V HA 0.761 4.881 4.120 0.001 0.000 0.308 329 V C -0.913 175.313 176.094 0.220 0.000 1.168 329 V CA -1.110 61.301 62.300 0.185 0.000 1.015 329 V CB 2.306 34.262 31.823 0.221 0.000 1.050 329 V HN 0.665 nan 8.190 nan 0.000 0.433 330 E N 1.214 121.543 120.200 0.215 0.000 2.336 330 E HA 0.515 4.865 4.350 0.001 0.000 0.267 330 E C -1.360 175.312 176.600 0.120 0.000 0.906 330 E CA -0.859 55.636 56.400 0.159 0.000 0.781 330 E CB 2.482 32.230 29.700 0.079 0.000 1.261 330 E HN 0.955 nan 8.360 nan 0.000 0.436 331 H N 1.368 120.341 119.070 -0.162 0.000 2.488 331 H HA 0.424 4.980 4.556 0.001 0.000 0.322 331 H C -0.674 174.395 175.328 -0.432 0.000 1.078 331 H CA -0.982 54.754 56.048 -0.520 0.000 1.260 331 H CB 1.464 30.884 29.762 -0.569 0.000 1.425 331 H HN 0.451 nan 8.280 nan 0.000 0.471 332 V N 2.815 122.284 119.914 -0.742 0.000 2.769 332 V HA 0.497 4.617 4.120 0.001 0.000 0.312 332 V C -0.537 174.948 176.094 -1.014 0.000 1.061 332 V CA -0.900 60.934 62.300 -0.777 0.000 0.931 332 V CB 1.532 32.928 31.823 -0.711 0.000 1.010 332 V HN 0.419 nan 8.190 nan 0.000 0.433 333 V N 3.840 123.373 119.914 -0.635 0.000 2.481 333 V HA 0.366 4.486 4.120 0.001 0.000 0.286 333 V C 0.111 176.009 176.094 -0.326 0.000 1.042 333 V CA -0.446 61.584 62.300 -0.450 0.000 0.928 333 V CB 1.354 33.036 31.823 -0.234 0.000 0.986 333 V HN 0.851 nan 8.190 nan 0.000 0.462 334 F N 5.047 124.819 119.950 -0.296 0.000 2.623 334 F HA 0.064 4.592 4.527 0.001 0.000 0.386 334 F C 0.573 176.420 175.800 0.078 0.000 1.068 334 F CA 0.607 58.618 58.000 0.017 0.000 1.265 334 F CB 0.156 39.302 39.000 0.243 0.000 1.026 334 F HN 0.594 nan 8.300 nan 0.000 0.568 335 N N 7.770 126.291 118.700 -0.297 0.000 2.524 335 N HA 0.352 5.093 4.740 0.001 0.000 0.261 335 N C -2.402 172.662 175.510 -0.743 0.000 0.998 335 N CA -2.275 50.570 53.050 -0.343 0.000 0.915 335 N CB 1.884 40.260 38.487 -0.185 0.000 1.187 335 N HN 0.193 nan 8.380 nan 0.000 0.507 336 P HA 0.039 nan 4.420 nan 0.000 0.228 336 P C 0.721 177.844 177.300 -0.294 0.000 1.151 336 P CA 0.748 63.428 63.100 -0.701 0.000 0.770 336 P CB 0.476 31.623 31.700 -0.922 0.000 0.786 337 S N -1.547 114.060 115.700 -0.154 0.000 2.562 337 S HA 0.031 4.501 4.470 0.001 0.000 0.221 337 S C 1.007 175.534 174.600 -0.121 0.000 0.975 337 S CA 0.210 58.405 58.200 -0.009 0.000 0.918 337 S CB -0.437 62.792 63.200 0.049 0.000 0.772 337 S HN 0.081 nan 8.310 nan 0.000 0.531 338 S N 1.777 117.324 115.700 -0.255 0.000 2.411 338 S HA 0.259 4.729 4.470 0.001 0.000 0.294 338 S C 1.230 175.727 174.600 -0.173 0.000 1.115 338 S CA -0.789 57.234 58.200 -0.295 0.000 1.071 338 S CB 0.233 63.028 63.200 -0.675 0.000 0.967 338 S HN 0.202 nan 8.310 nan 0.000 0.488 339 R N 3.251 123.694 120.500 -0.094 0.000 2.120 339 R HA -0.076 4.265 4.340 0.001 0.000 0.234 339 R C 1.747 178.048 176.300 0.001 0.000 1.123 339 R CA 1.176 57.255 56.100 -0.034 0.000 0.975 339 R CB -0.755 29.538 30.300 -0.013 0.000 0.866 339 R HN 0.779 nan 8.270 nan 0.000 0.446 340 D N 0.384 120.778 120.400 -0.011 0.000 2.117 340 D HA -0.167 4.473 4.640 0.001 0.000 0.197 340 D C 1.545 177.949 176.300 0.173 0.000 0.987 340 D CA 1.113 55.152 54.000 0.065 0.000 0.829 340 D CB 0.020 40.853 40.800 0.055 0.000 0.961 340 D HN 0.467 nan 8.370 nan 0.000 0.460 341 H N -0.131 118.958 119.070 0.032 0.000 2.423 341 H HA -0.004 4.552 4.556 0.001 0.000 0.297 341 H C 2.427 177.776 175.328 0.034 0.000 1.075 341 H CA 0.460 56.565 56.048 0.095 0.000 1.342 341 H CB 0.384 30.161 29.762 0.025 0.000 1.395 341 H HN 0.197 nan 8.280 nan 0.000 0.530 342 I N 0.995 121.621 120.570 0.093 0.000 2.252 342 I HA -0.267 3.903 4.170 0.001 0.000 0.245 342 I C 2.788 178.913 176.117 0.014 0.000 1.102 342 I CA 1.137 62.462 61.300 0.042 0.000 1.385 342 I CB -0.291 37.704 38.000 -0.008 0.000 1.064 342 I HN 0.355 nan 8.210 nan 0.000 0.414 343 Q N 2.221 122.070 119.800 0.082 0.000 2.172 343 Q HA -0.242 4.099 4.340 0.001 0.000 0.200 343 Q C 2.022 178.101 176.000 0.131 0.000 0.964 343 Q CA 1.620 57.547 55.803 0.206 0.000 0.855 343 Q CB -0.089 28.780 28.738 0.219 0.000 0.918 343 Q HN 0.485 nan 8.270 nan 0.000 0.444 344 K N 0.274 120.692 120.400 0.030 0.000 2.001 344 K HA -0.104 4.216 4.320 0.001 0.000 0.208 344 K C 2.152 178.638 176.600 -0.190 0.000 1.048 344 K CA 1.065 57.302 56.287 -0.084 0.000 0.932 344 K CB 0.119 32.533 32.500 -0.143 0.000 0.715 344 K HN -0.024 nan 8.250 nan 0.000 0.437 345 K N 0.895 121.121 120.400 -0.289 0.000 2.057 345 K HA -0.102 4.218 4.320 0.001 0.000 0.207 345 K C 2.177 178.668 176.600 -0.182 0.000 1.049 345 K CA 1.148 57.196 56.287 -0.399 0.000 0.931 345 K CB -0.287 31.705 32.500 -0.847 0.000 0.714 345 K HN 0.273 nan 8.250 nan 0.000 0.440 346 L N 0.908 122.081 121.223 -0.084 0.000 2.072 346 L HA -0.162 4.178 4.340 0.001 0.000 0.205 346 L C 2.614 179.620 176.870 0.226 0.000 1.079 346 L CA 1.136 56.018 54.840 0.069 0.000 0.752 346 L CB -0.469 41.592 42.059 0.004 0.000 0.906 346 L HN 0.238 nan 8.230 nan 0.000 0.436 347 Q N 0.023 119.974 119.800 0.252 0.000 2.124 347 Q HA -0.250 4.091 4.340 0.001 0.000 0.202 347 Q C 2.062 178.099 176.000 0.062 0.000 0.977 347 Q CA 1.470 57.366 55.803 0.155 0.000 0.850 347 Q CB -0.091 28.671 28.738 0.040 0.000 0.901 347 Q HN 0.505 nan 8.270 nan 0.000 0.429 348 E N 0.014 120.219 120.200 0.009 0.000 2.209 348 E HA -0.156 4.194 4.350 0.001 0.000 0.196 348 E C 1.271 177.883 176.600 0.019 0.000 0.993 348 E CA 0.871 57.259 56.400 -0.019 0.000 0.819 348 E CB 0.028 29.680 29.700 -0.080 0.000 0.745 348 E HN 0.295 nan 8.360 nan 0.000 0.477 349 A N -0.382 122.473 122.820 0.057 0.000 2.307 349 A HA 0.323 4.644 4.320 0.001 0.000 0.218 349 A C 1.310 178.946 177.584 0.085 0.000 1.228 349 A CA 0.694 52.774 52.037 0.072 0.000 0.857 349 A CB 0.090 19.148 19.000 0.095 0.000 0.897 349 A HN 0.294 nan 8.150 nan 0.000 0.495 350 G N -2.338 106.518 108.800 0.094 0.000 2.138 350 G HA2 -0.223 3.737 3.960 0.001 0.000 0.193 350 G HA3 -0.223 3.737 3.960 0.001 0.000 0.193 350 G C -0.295 174.704 174.900 0.165 0.000 0.998 350 G CA -0.071 45.086 45.100 0.095 0.000 0.668 350 G HN 0.817 nan 8.290 nan 0.000 0.516 351 W N 1.488 122.781 121.300 -0.012 0.000 2.338 351 W HA 0.636 5.296 4.660 0.001 0.000 0.307 351 W C -0.330 176.182 176.519 -0.012 0.000 1.167 351 W CA -1.243 56.094 57.345 -0.012 0.000 1.208 351 W CB 1.398 30.846 29.460 -0.020 0.000 1.228 351 W HN 0.274 nan 8.180 nan 0.000 0.499 352 V N 9.688 129.326 119.914 -0.459 0.000 2.313 352 V HA 0.256 4.377 4.120 0.001 0.000 0.278 352 V C -1.810 173.743 176.094 -0.901 0.000 1.017 352 V CA -1.933 60.038 62.300 -0.548 0.000 0.823 352 V CB 0.800 32.498 31.823 -0.208 0.000 1.010 352 V HN 0.460 nan 8.190 nan 0.000 0.443 353 P HA 0.161 nan 4.420 nan 0.000 0.266 353 P C 0.730 177.799 177.300 -0.384 0.000 1.195 353 P CA 0.360 62.799 63.100 -1.103 0.000 0.768 353 P CB 0.892 31.860 31.700 -1.221 0.000 0.838 354 T N 1.140 115.589 114.554 -0.173 0.000 2.980 354 T HA 0.036 4.386 4.350 0.001 0.000 0.239 354 T C 0.451 175.197 174.700 0.077 0.000 1.011 354 T CA 0.591 62.697 62.100 0.010 0.000 1.171 354 T CB 0.021 68.921 68.868 0.053 0.000 0.873 354 T HN 0.445 nan 8.240 nan 0.000 0.431 355 K N 0.972 121.370 120.400 -0.003 0.000 2.156 355 K HA 0.503 4.823 4.320 0.001 0.000 0.271 355 K C -1.516 175.026 176.600 -0.096 0.000 0.995 355 K CA -0.587 55.730 56.287 0.049 0.000 0.890 355 K CB 1.112 33.644 32.500 0.053 0.000 1.073 355 K HN 0.156 nan 8.250 nan 0.000 0.454 356 Y N 0.173 120.477 120.300 0.007 0.000 2.650 356 Y HA 0.302 4.853 4.550 0.001 0.000 0.331 356 Y C 0.614 176.524 175.900 0.018 0.000 1.082 356 Y CA -0.816 57.288 58.100 0.007 0.000 1.171 356 Y CB 1.950 40.401 38.460 -0.015 0.000 1.326 356 Y HN 0.773 nan 8.280 nan 0.000 0.513 357 T N -2.770 111.894 114.554 0.184 0.000 2.944 357 T HA 0.143 4.494 4.350 0.001 0.000 0.284 357 T C 0.814 175.577 174.700 0.105 0.000 1.010 357 T CA -0.435 61.733 62.100 0.113 0.000 1.025 357 T CB 1.198 70.114 68.868 0.080 0.000 1.079 357 T HN 0.781 nan 8.240 nan 0.000 0.516 358 D N 0.648 121.092 120.400 0.074 0.000 2.190 358 D HA -0.204 4.436 4.640 0.001 0.000 0.200 358 D C 1.323 177.653 176.300 0.051 0.000 0.992 358 D CA 1.186 55.220 54.000 0.056 0.000 0.854 358 D CB -0.119 40.709 40.800 0.048 0.000 0.936 358 D HN 0.429 nan 8.370 nan 0.000 0.462 359 K N -0.478 119.955 120.400 0.056 0.000 2.487 359 K HA 0.179 4.500 4.320 0.001 0.000 0.192 359 K C 1.351 177.988 176.600 0.060 0.000 1.027 359 K CA 0.763 57.079 56.287 0.050 0.000 1.054 359 K CB 0.005 32.532 32.500 0.046 0.000 0.824 359 K HN 0.419 nan 8.250 nan 0.000 0.510 360 G N -0.710 108.141 108.800 0.085 0.000 2.317 360 G HA2 -0.291 3.669 3.960 0.001 0.000 0.227 360 G HA3 -0.291 3.669 3.960 0.001 0.000 0.227 360 G C 0.350 175.384 174.900 0.224 0.000 1.042 360 G CA -0.069 45.096 45.100 0.109 0.000 0.623 360 G HN 0.542 nan 8.290 nan 0.000 0.509 361 A N 2.708 125.622 122.820 0.156 0.000 2.483 361 A HA 0.568 4.889 4.320 0.001 0.000 0.238 361 A C -1.285 176.360 177.584 0.102 0.000 1.070 361 A CA 0.112 52.230 52.037 0.135 0.000 0.770 361 A CB 0.047 19.093 19.000 0.077 0.000 1.008 361 A HN 0.411 nan 8.150 nan 0.000 0.497 362 P HA 0.193 nan 4.420 nan 0.000 0.276 362 P C -0.402 176.830 177.300 -0.113 0.000 1.230 362 P CA -0.095 62.774 63.100 -0.384 0.000 0.776 362 P CB 0.799 32.218 31.700 -0.469 0.000 0.888 363 V N 4.253 124.104 119.914 -0.106 0.000 2.585 363 V HA 0.012 4.132 4.120 0.001 0.000 0.296 363 V C 0.883 177.028 176.094 0.084 0.000 1.035 363 V CA 0.447 62.754 62.300 0.011 0.000 1.084 363 V CB 0.903 32.737 31.823 0.018 0.000 0.953 363 V HN 0.307 nan 8.190 nan 0.000 0.483 364 V N 4.770 124.719 119.914 0.059 0.000 2.464 364 V HA 0.285 4.405 4.120 0.001 0.000 0.255 364 V C -0.455 175.642 176.094 0.006 0.000 0.946 364 V CA -0.804 61.518 62.300 0.036 0.000 0.988 364 V CB 0.673 32.515 31.823 0.032 0.000 1.210 364 V HN 1.057 nan 8.190 nan 0.000 0.523 365 D N -0.858 119.548 120.400 0.009 0.000 2.494 365 D HA 0.288 4.929 4.640 0.001 0.000 0.259 365 D C 1.016 177.313 176.300 -0.004 0.000 1.109 365 D CA -0.669 53.335 54.000 0.007 0.000 1.040 365 D CB 1.015 41.826 40.800 0.018 0.000 1.175 365 D HN 0.104 nan 8.370 nan 0.000 0.584 366 D N -0.670 119.733 120.400 0.004 0.000 2.133 366 D HA -0.255 4.386 4.640 0.001 0.000 0.192 366 D C 1.371 177.670 176.300 -0.003 0.000 1.001 366 D CA 1.926 55.928 54.000 0.002 0.000 0.844 366 D CB 0.168 40.975 40.800 0.012 0.000 0.944 366 D HN 0.551 nan 8.370 nan 0.000 0.447 367 E N -0.129 120.075 120.200 0.007 0.000 2.012 367 E HA -0.217 4.133 4.350 0.001 0.000 0.197 367 E C 2.406 179.009 176.600 0.005 0.000 1.007 367 E CA 1.550 57.957 56.400 0.012 0.000 0.816 367 E CB -0.506 29.209 29.700 0.024 0.000 0.762 367 E HN 0.331 nan 8.360 nan 0.000 0.451 368 V N 1.407 121.327 119.914 0.010 0.000 2.343 368 V HA -0.230 3.890 4.120 0.001 0.000 0.247 368 V C 2.121 178.168 176.094 -0.079 0.000 1.051 368 V CA 1.512 63.819 62.300 0.012 0.000 1.036 368 V CB -0.434 31.435 31.823 0.077 0.000 0.654 368 V HN 0.266 nan 8.190 nan 0.000 0.451 369 L N 0.234 121.387 121.223 -0.116 0.000 2.042 369 L HA -0.202 4.139 4.340 0.001 0.000 0.210 369 L C 2.757 179.554 176.870 -0.121 0.000 1.076 369 L CA 2.282 57.016 54.840 -0.176 0.000 0.749 369 L CB -0.688 41.299 42.059 -0.119 0.000 0.893 369 L HN 0.501 nan 8.230 nan 0.000 0.432 370 E N 0.417 120.580 120.200 -0.061 0.000 2.171 370 E HA -0.190 4.160 4.350 0.001 0.000 0.197 370 E C 1.835 178.413 176.600 -0.037 0.000 0.997 370 E CA 1.506 57.885 56.400 -0.036 0.000 0.810 370 E CB -0.228 29.465 29.700 -0.012 0.000 0.738 370 E HN 0.368 nan 8.360 nan 0.000 0.467 371 G N -0.561 108.216 108.800 -0.039 0.000 3.088 371 G HA2 0.129 4.089 3.960 0.001 0.000 0.217 371 G HA3 0.129 4.089 3.960 0.001 0.000 0.217 371 G C 0.080 174.959 174.900 -0.035 0.000 1.159 371 G CA 0.015 45.106 45.100 -0.016 0.000 0.760 371 G HN 0.103 nan 8.290 nan 0.000 0.550 372 V N 1.653 121.483 119.914 -0.141 0.000 2.740 372 V HA 0.341 4.462 4.120 0.001 0.000 0.303 372 V C 0.006 176.031 176.094 -0.115 0.000 1.054 372 V CA 0.006 62.157 62.300 -0.249 0.000 1.106 372 V CB 0.864 32.324 31.823 -0.605 0.000 0.957 372 V HN 0.221 nan 8.190 nan 0.000 0.486 373 R N 3.058 123.537 120.500 -0.034 0.000 2.564 373 R HA 0.677 5.017 4.340 0.001 0.000 0.284 373 R C -1.255 175.079 176.300 0.056 0.000 1.031 373 R CA -0.478 55.630 56.100 0.013 0.000 0.904 373 R CB 1.942 32.265 30.300 0.038 0.000 1.199 373 R HN 0.635 nan 8.270 nan 0.000 0.443 374 V N -1.584 118.353 119.914 0.038 0.000 3.007 374 V HA 0.460 4.581 4.120 0.001 0.000 0.311 374 V C 0.433 176.549 176.094 0.036 0.000 1.120 374 V CA -0.831 61.504 62.300 0.058 0.000 0.980 374 V CB 2.664 34.526 31.823 0.064 0.000 1.033 374 V HN 0.536 nan 8.190 nan 0.000 0.429 375 D N 0.456 120.878 120.400 0.037 0.000 2.264 375 D HA -0.051 4.590 4.640 0.001 0.000 0.208 375 D C 0.460 176.767 176.300 0.011 0.000 0.966 375 D CA 1.391 55.404 54.000 0.022 0.000 0.864 375 D CB 0.201 41.014 40.800 0.022 0.000 0.933 375 D HN 0.831 nan 8.370 nan 0.000 0.499 376 D N 1.156 121.563 120.400 0.011 0.000 2.359 376 D HA 0.004 4.644 4.640 0.001 0.000 0.250 376 D C -1.257 175.033 176.300 -0.017 0.000 1.264 376 D CA -1.903 52.093 54.000 -0.006 0.000 0.911 376 D CB 1.374 42.170 40.800 -0.007 0.000 1.056 376 D HN 0.016 nan 8.370 nan 0.000 0.499 377 P HA -0.239 nan 4.420 nan 0.000 0.216 377 P C 1.234 178.509 177.300 -0.042 0.000 1.154 377 P CA 1.163 64.248 63.100 -0.025 0.000 0.865 377 P CB 0.482 32.169 31.700 -0.022 0.000 0.789 378 E N -0.013 120.149 120.200 -0.063 0.000 2.031 378 E HA -0.209 4.142 4.350 0.001 0.000 0.193 378 E C 2.082 178.605 176.600 -0.127 0.000 0.994 378 E CA 1.259 57.599 56.400 -0.101 0.000 0.800 378 E CB -0.110 29.512 29.700 -0.130 0.000 0.752 378 E HN -0.062 nan 8.360 nan 0.000 0.447 379 K N 0.679 121.010 120.400 -0.115 0.000 2.074 379 K HA -0.227 4.093 4.320 0.001 0.000 0.209 379 K C 2.066 178.666 176.600 -0.001 0.000 1.048 379 K CA 1.674 57.919 56.287 -0.071 0.000 0.926 379 K CB -0.444 32.070 32.500 0.024 0.000 0.713 379 K HN 0.047 nan 8.250 nan 0.000 0.444 380 Q N 0.258 120.052 119.800 -0.011 0.000 2.002 380 Q HA -0.064 4.277 4.340 0.001 0.000 0.204 380 Q C 1.845 177.839 176.000 -0.010 0.000 0.988 380 Q CA 2.360 58.158 55.803 -0.008 0.000 0.843 380 Q CB -0.703 28.028 28.738 -0.011 0.000 0.908 380 Q HN 0.275 nan 8.270 nan 0.000 0.420 381 A N -0.001 122.805 122.820 -0.022 0.000 2.076 381 A HA -0.021 4.300 4.320 0.001 0.000 0.220 381 A C 2.158 179.736 177.584 -0.011 0.000 1.160 381 A CA 1.730 53.755 52.037 -0.019 0.000 0.653 381 A CB -0.929 18.054 19.000 -0.028 0.000 0.801 381 A HN 0.524 nan 8.150 nan 0.000 0.455 382 A N -0.169 122.640 122.820 -0.018 0.000 2.016 382 A HA 0.070 4.390 4.320 0.001 0.000 0.217 382 A C 1.977 179.614 177.584 0.088 0.000 1.162 382 A CA 1.024 53.068 52.037 0.012 0.000 0.662 382 A CB -0.476 18.486 19.000 -0.064 0.000 0.812 382 A HN 0.491 nan 8.150 nan 0.000 0.450 383 I N 0.020 120.631 120.570 0.067 0.000 2.208 383 I HA -0.271 3.900 4.170 0.001 0.000 0.245 383 I C 1.713 177.857 176.117 0.046 0.000 1.097 383 I CA 1.551 62.879 61.300 0.047 0.000 1.363 383 I CB -0.370 37.618 38.000 -0.019 0.000 1.051 383 I HN 0.274 nan 8.210 nan 0.000 0.413 384 D N 0.594 121.016 120.400 0.036 0.000 2.264 384 D HA -0.088 4.552 4.640 0.001 0.000 0.208 384 D C 2.300 178.644 176.300 0.073 0.000 0.966 384 D CA 1.038 55.063 54.000 0.042 0.000 0.864 384 D CB 0.070 40.887 40.800 0.028 0.000 0.933 384 D HN 0.365 nan 8.370 nan 0.000 0.499 385 L N 0.252 121.527 121.223 0.087 0.000 2.240 385 L HA -0.011 4.330 4.340 0.001 0.000 0.211 385 L C 2.409 179.385 176.870 0.178 0.000 1.106 385 L CA 0.402 55.315 54.840 0.122 0.000 0.793 385 L CB -0.106 42.016 42.059 0.105 0.000 0.927 385 L HN -0.008 nan 8.230 nan 0.000 0.446 386 I N -0.414 120.257 120.570 0.168 0.000 2.286 386 I HA -0.205 3.965 4.170 0.001 0.000 0.245 386 I C 2.517 178.740 176.117 0.177 0.000 1.104 386 I CA 0.874 62.286 61.300 0.188 0.000 1.397 386 I CB -0.235 37.863 38.000 0.164 0.000 1.072 386 I HN 0.189 nan 8.210 nan 0.000 0.417 387 K N 0.844 121.315 120.400 0.118 0.000 2.032 387 K HA -0.254 4.067 4.320 0.001 0.000 0.209 387 K C 1.956 178.626 176.600 0.116 0.000 1.048 387 K CA 1.630 57.972 56.287 0.092 0.000 0.927 387 K CB -0.439 32.095 32.500 0.056 0.000 0.712 387 K HN 0.398 nan 8.250 nan 0.000 0.441 388 E N 0.184 120.462 120.200 0.130 0.000 2.051 388 E HA -0.235 4.115 4.350 0.001 0.000 0.192 388 E C 2.084 178.773 176.600 0.147 0.000 0.991 388 E CA 1.057 57.537 56.400 0.133 0.000 0.799 388 E CB -0.251 29.528 29.700 0.132 0.000 0.748 388 E HN 0.289 nan 8.360 nan 0.000 0.449 389 Y N 1.103 121.444 120.300 0.068 0.000 2.081 389 Y HA -0.269 4.282 4.550 0.001 0.000 0.280 389 Y C 2.015 177.935 175.900 0.035 0.000 1.163 389 Y CA 2.074 60.208 58.100 0.057 0.000 1.135 389 Y CB -0.305 38.200 38.460 0.075 0.000 0.970 389 Y HN 0.055 nan 8.280 nan 0.000 0.498 390 L N -0.398 120.957 121.223 0.220 0.000 2.042 390 L HA -0.304 4.037 4.340 0.001 0.000 0.210 390 L C 2.751 179.626 176.870 0.008 0.000 1.076 390 L CA 1.765 56.670 54.840 0.108 0.000 0.749 390 L CB -0.612 41.513 42.059 0.110 0.000 0.893 390 L HN 0.407 nan 8.230 nan 0.000 0.432 391 M N -0.176 119.442 119.600 0.030 0.000 2.132 391 M HA -0.194 4.286 4.480 0.001 0.000 0.263 391 M C 2.331 178.618 176.300 -0.021 0.000 1.065 391 M CA 1.883 57.200 55.300 0.028 0.000 1.122 391 M CB -0.190 32.456 32.600 0.077 0.000 1.365 391 M HN 0.137 nan 8.290 nan 0.000 0.411 392 I N 0.966 121.494 120.570 -0.070 0.000 2.163 392 I HA -0.302 3.868 4.170 0.001 0.000 0.243 392 I C 2.492 178.480 176.117 -0.215 0.000 1.085 392 I CA 1.391 62.589 61.300 -0.169 0.000 1.347 392 I CB -1.812 36.052 38.000 -0.226 0.000 1.044 392 I HN 0.389 nan 8.210 nan 0.000 0.408 393 Q N 0.564 120.202 119.800 -0.269 0.000 2.135 393 Q HA -0.207 4.133 4.340 0.001 0.000 0.204 393 Q C 2.244 178.158 176.000 -0.144 0.000 0.981 393 Q CA 1.198 56.868 55.803 -0.222 0.000 0.856 393 Q CB -0.324 28.289 28.738 -0.208 0.000 0.902 393 Q HN 0.404 nan 8.270 nan 0.000 0.425 394 K N 0.590 120.926 120.400 -0.107 0.000 2.026 394 K HA -0.116 4.204 4.320 0.001 0.000 0.208 394 K C 1.973 178.501 176.600 -0.120 0.000 1.048 394 K CA 0.962 57.197 56.287 -0.087 0.000 0.929 394 K CB 0.039 32.513 32.500 -0.044 0.000 0.713 394 K HN 0.087 nan 8.250 nan 0.000 0.439 395 R N 0.510 120.940 120.500 -0.118 0.000 2.073 395 R HA -0.036 4.305 4.340 0.001 0.000 0.234 395 R C 2.509 178.677 176.300 -0.219 0.000 1.134 395 R CA 1.030 57.043 56.100 -0.146 0.000 0.952 395 R CB -0.887 29.334 30.300 -0.132 0.000 0.850 395 R HN 0.289 nan 8.270 nan 0.000 0.433 396 I N 0.249 120.705 120.570 -0.190 0.000 2.208 396 I HA -0.201 3.970 4.170 0.001 0.000 0.245 396 I C 2.474 178.439 176.117 -0.253 0.000 1.097 396 I CA 1.636 62.828 61.300 -0.181 0.000 1.363 396 I CB -0.707 37.247 38.000 -0.077 0.000 1.051 396 I HN 0.270 nan 8.210 nan 0.000 0.413 397 G N -0.324 108.349 108.800 -0.212 0.000 2.422 397 G HA2 -0.290 3.671 3.960 0.001 0.000 0.218 397 G HA3 -0.290 3.671 3.960 0.001 0.000 0.218 397 G C 1.581 176.312 174.900 -0.282 0.000 1.146 397 G CA 0.633 45.610 45.100 -0.205 0.000 0.769 397 G HN 0.421 nan 8.290 nan 0.000 0.547 398 Q N 0.571 120.153 119.800 -0.364 0.000 2.163 398 Q HA -0.042 4.299 4.340 0.001 0.000 0.198 398 Q C 2.667 178.030 176.000 -1.062 0.000 0.954 398 Q CA 1.605 57.073 55.803 -0.557 0.000 0.851 398 Q CB -0.014 28.446 28.738 -0.463 0.000 0.928 398 Q HN 0.574 nan 8.270 nan 0.000 0.459 399 S N -1.296 113.833 115.700 -0.952 0.000 2.439 399 S HA 0.240 4.710 4.470 0.001 0.000 0.224 399 S C 1.474 175.811 174.600 -0.437 0.000 1.029 399 S CA 0.380 58.035 58.200 -0.910 0.000 0.946 399 S CB 0.676 63.598 63.200 -0.464 0.000 0.797 399 S HN 0.392 nan 8.310 nan 0.000 0.504 400 A N 1.064 123.611 122.820 -0.455 0.000 1.780 400 A HA 0.450 4.771 4.320 0.001 0.000 0.208 400 A C 1.724 179.066 177.584 -0.404 0.000 1.761 400 A CA 0.228 51.974 52.037 -0.484 0.000 1.183 400 A CB -0.124 18.303 19.000 -0.955 0.000 1.162 400 A HN 0.331 nan 8.150 nan 0.000 0.472 401 E N 0.540 120.521 120.200 -0.365 0.000 2.250 401 E HA 0.142 4.492 4.350 0.001 0.000 0.192 401 E C 1.228 177.744 176.600 -0.141 0.000 0.986 401 E CA 0.210 56.480 56.400 -0.217 0.000 0.849 401 E CB 0.001 29.609 29.700 -0.153 0.000 0.797 401 E HN 0.526 nan 8.360 nan 0.000 0.482 402 G N 0.957 109.668 108.800 -0.150 0.000 2.664 402 G HA2 -0.120 3.841 3.960 0.001 0.000 0.242 402 G HA3 -0.120 3.841 3.960 0.001 0.000 0.242 402 G C 0.243 175.114 174.900 -0.048 0.000 1.225 402 G CA -0.398 44.647 45.100 -0.092 0.000 0.849 402 G HN -0.026 nan 8.290 nan 0.000 0.581 403 D N 0.133 120.529 120.400 -0.006 0.000 2.149 403 D HA -0.085 4.556 4.640 0.001 0.000 0.198 403 D C 1.619 177.971 176.300 0.087 0.000 0.990 403 D CA 1.265 55.283 54.000 0.030 0.000 0.839 403 D CB 0.205 41.042 40.800 0.060 0.000 0.948 403 D HN 0.432 nan 8.370 nan 0.000 0.460 404 K N 0.236 120.714 120.400 0.130 0.000 2.681 404 K HA 0.385 4.705 4.320 0.001 0.000 0.211 404 K C -0.058 176.667 176.600 0.209 0.000 1.075 404 K CA -0.388 56.079 56.287 0.301 0.000 1.141 404 K CB 1.383 34.044 32.500 0.269 0.000 0.896 404 K HN -0.036 nan 8.250 nan 0.000 0.470 405 A N 0.498 123.346 122.820 0.046 0.000 2.425 405 A HA 0.003 4.323 4.320 0.001 0.000 0.242 405 A C 0.569 178.191 177.584 0.064 0.000 1.077 405 A CA -0.272 51.687 52.037 -0.130 0.000 0.781 405 A CB 0.082 18.957 19.000 -0.208 0.000 1.020 405 A HN 0.407 nan 8.150 nan 0.000 0.494 406 W N 0.863 122.183 121.300 0.033 0.000 2.358 406 W HA -0.136 4.524 4.660 0.001 0.000 0.303 406 W C 1.726 178.145 176.519 -0.168 0.000 1.208 406 W CA 0.695 57.975 57.345 -0.108 0.000 1.274 406 W CB -1.373 27.951 29.460 -0.226 0.000 1.138 406 W HN 0.627 nan 8.180 nan 0.000 0.515 407 L N 0.190 121.492 121.223 0.131 0.000 2.187 407 L HA -0.176 4.165 4.340 0.001 0.000 0.213 407 L C 2.438 179.326 176.870 0.030 0.000 1.100 407 L CA 1.319 56.217 54.840 0.097 0.000 0.765 407 L CB -0.656 41.431 42.059 0.047 0.000 0.904 407 L HN -0.035 nan 8.230 nan 0.000 0.437 408 R N -1.738 118.765 120.500 0.005 0.000 2.299 408 R HA -0.050 4.290 4.340 0.001 0.000 0.197 408 R C 1.192 177.382 176.300 -0.184 0.000 0.971 408 R CA 0.614 56.658 56.100 -0.093 0.000 1.030 408 R CB 0.143 30.357 30.300 -0.144 0.000 0.932 408 R HN 0.323 nan 8.270 nan 0.000 0.477 409 Y N -0.168 120.137 120.300 0.007 0.000 2.430 409 Y HA 0.114 4.665 4.550 0.001 0.000 0.248 409 Y C 0.546 176.446 175.900 -0.001 0.000 1.108 409 Y CA -0.523 57.591 58.100 0.024 0.000 1.264 409 Y CB 0.853 39.354 38.460 0.069 0.000 1.172 409 Y HN -0.284 nan 8.280 nan 0.000 0.520 410 V N 1.477 121.424 119.914 0.056 0.000 2.617 410 V HA 0.201 4.321 4.120 0.001 0.000 0.304 410 V C 0.708 176.863 176.094 0.101 0.000 1.040 410 V CA -0.431 61.895 62.300 0.044 0.000 1.149 410 V CB -0.397 31.483 31.823 0.095 0.000 0.914 410 V HN 0.232 nan 8.190 nan 0.000 0.487 411 A N 3.974 126.881 122.820 0.145 0.000 2.239 411 A HA 0.510 4.830 4.320 0.001 0.000 0.303 411 A C 1.190 178.821 177.584 0.078 0.000 1.114 411 A CA -0.490 51.617 52.037 0.115 0.000 0.871 411 A CB 0.276 19.368 19.000 0.154 0.000 1.201 411 A HN 0.804 nan 8.150 nan 0.000 0.506 412 E N 0.621 120.847 120.200 0.044 0.000 2.150 412 E HA -0.168 4.183 4.350 0.001 0.000 0.193 412 E C 0.777 177.393 176.600 0.027 0.000 0.985 412 E CA 1.380 57.795 56.400 0.026 0.000 0.814 412 E CB -0.251 29.454 29.700 0.007 0.000 0.752 412 E HN 0.786 nan 8.360 nan 0.000 0.466 413 D N 0.110 120.535 120.400 0.042 0.000 2.352 413 D HA -0.012 4.629 4.640 0.001 0.000 0.232 413 D C 1.056 177.364 176.300 0.014 0.000 1.055 413 D CA 0.711 54.725 54.000 0.024 0.000 0.891 413 D CB -0.462 40.363 40.800 0.041 0.000 0.897 413 D HN 0.142 nan 8.370 nan 0.000 0.529 414 G N 0.345 109.173 108.800 0.047 0.000 2.249 414 G HA2 -0.308 3.653 3.960 0.001 0.000 0.273 414 G HA3 -0.308 3.653 3.960 0.001 0.000 0.273 414 G C -0.135 174.810 174.900 0.074 0.000 1.036 414 G CA 0.444 45.578 45.100 0.057 0.000 0.824 414 G HN 0.529 nan 8.290 nan 0.000 0.504 415 K N -0.928 119.528 120.400 0.093 0.000 2.477 415 K HA 0.664 4.984 4.320 0.001 0.000 0.255 415 K C -0.280 176.347 176.600 0.045 0.000 0.952 415 K CA -1.070 55.243 56.287 0.043 0.000 0.826 415 K CB 2.193 34.638 32.500 -0.091 0.000 1.331 415 K HN 0.097 nan 8.250 nan 0.000 0.437 416 I N 3.028 123.595 120.570 -0.005 0.000 2.312 416 I HA 0.153 4.323 4.170 0.001 0.000 0.290 416 I C -0.109 175.992 176.117 -0.026 0.000 1.008 416 I CA -0.569 60.742 61.300 0.019 0.000 1.226 416 I CB 0.657 38.623 38.000 -0.058 0.000 1.371 416 I HN 0.443 nan 8.210 nan 0.000 0.468 417 H N 6.029 125.180 119.070 0.135 0.000 2.788 417 H HA 0.201 4.757 4.556 0.001 0.000 0.254 417 H C 0.557 175.946 175.328 0.101 0.000 1.541 417 H CA -0.331 55.794 56.048 0.128 0.000 1.295 417 H CB 0.622 30.453 29.762 0.114 0.000 1.592 417 H HN 0.740 nan 8.280 nan 0.000 0.545 418 G N 1.918 110.801 108.800 0.138 0.000 2.406 418 G HA2 0.169 4.129 3.960 0.001 0.000 0.251 418 G HA3 0.169 4.129 3.960 0.001 0.000 0.251 418 G C 0.400 175.380 174.900 0.133 0.000 1.271 418 G CA -0.508 44.653 45.100 0.101 0.000 0.859 418 G HN 0.496 nan 8.290 nan 0.000 0.540 419 S N -0.380 115.408 115.700 0.146 0.000 2.632 419 S HA 0.655 5.125 4.470 0.001 0.000 0.271 419 S C -0.086 174.567 174.600 0.089 0.000 1.260 419 S CA -0.345 57.944 58.200 0.148 0.000 1.010 419 S CB 1.849 65.186 63.200 0.228 0.000 0.965 419 S HN 1.730 nan 8.310 nan 0.000 0.534 420 V N 0.760 120.702 119.914 0.046 0.000 2.777 420 V HA 0.560 4.680 4.120 0.001 0.000 0.306 420 V C -1.473 174.594 176.094 -0.045 0.000 1.112 420 V CA -0.886 61.374 62.300 -0.066 0.000 0.917 420 V CB 1.884 33.646 31.823 -0.103 0.000 1.018 420 V HN 0.994 nan 8.190 nan 0.000 0.426 421 N N 6.782 125.428 118.700 -0.090 0.000 2.437 421 N HA 0.508 5.248 4.740 0.001 0.000 0.243 421 N C -1.836 173.643 175.510 -0.051 0.000 1.041 421 N CA -2.145 50.877 53.050 -0.045 0.000 0.940 421 N CB 1.821 40.285 38.487 -0.038 0.000 1.133 421 N HN 0.485 nan 8.380 nan 0.000 0.506 422 P HA -0.099 nan 4.420 nan 0.000 0.217 422 P C -0.047 177.324 177.300 0.117 0.000 1.148 422 P CA 1.360 64.535 63.100 0.126 0.000 0.828 422 P CB 0.246 32.028 31.700 0.137 0.000 0.783 423 N N -1.600 117.127 118.700 0.044 0.000 2.553 423 N HA 0.148 4.889 4.740 0.001 0.000 0.298 423 N C 1.212 176.726 175.510 0.005 0.000 1.596 423 N CA -0.112 52.963 53.050 0.041 0.000 0.910 423 N CB 0.106 38.605 38.487 0.020 0.000 1.336 423 N HN -0.035 nan 8.380 nan 0.000 0.497 424 G N -0.188 108.609 108.800 -0.006 0.000 2.448 424 G HA2 0.086 4.047 3.960 0.001 0.000 0.218 424 G HA3 0.086 4.047 3.960 0.001 0.000 0.218 424 G C 0.488 175.399 174.900 0.019 0.000 1.135 424 G CA 0.314 45.409 45.100 -0.007 0.000 0.784 424 G HN 0.355 nan 8.290 nan 0.000 0.543 425 A N -0.129 122.709 122.820 0.031 0.000 2.312 425 A HA 0.582 4.902 4.320 0.001 0.000 0.328 425 A C 1.591 179.206 177.584 0.052 0.000 1.158 425 A CA 0.061 52.122 52.037 0.039 0.000 0.821 425 A CB 1.504 20.524 19.000 0.034 0.000 1.170 425 A HN 0.597 nan 8.150 nan 0.000 0.490 426 V N 0.394 120.341 119.914 0.056 0.000 2.317 426 V HA -0.270 3.850 4.120 0.001 0.000 0.251 426 V C 2.187 178.325 176.094 0.073 0.000 1.065 426 V CA 2.812 65.156 62.300 0.075 0.000 1.049 426 V CB -2.268 29.613 31.823 0.097 0.000 0.651 426 V HN 1.108 nan 8.190 nan 0.000 0.450 427 T N -2.346 112.240 114.554 0.053 0.000 3.155 427 T HA 0.306 4.656 4.350 0.001 0.000 0.264 427 T C 1.666 176.418 174.700 0.087 0.000 1.160 427 T CA 1.285 63.418 62.100 0.054 0.000 1.075 427 T CB -0.003 68.879 68.868 0.024 0.000 0.921 427 T HN 1.660 nan 8.240 nan 0.000 0.533 428 G N 1.046 109.902 108.800 0.094 0.000 2.194 428 G HA2 -0.237 3.724 3.960 0.001 0.000 0.236 428 G HA3 -0.237 3.724 3.960 0.001 0.000 0.236 428 G C 0.277 175.271 174.900 0.156 0.000 0.987 428 G CA -0.145 45.031 45.100 0.126 0.000 0.635 428 G HN 0.670 nan 8.290 nan 0.000 0.520 429 R N 0.786 121.364 120.500 0.129 0.000 2.784 429 R HA 0.536 4.877 4.340 0.001 0.000 0.266 429 R C 1.042 177.390 176.300 0.080 0.000 1.044 429 R CA 0.474 56.658 56.100 0.140 0.000 1.151 429 R CB 0.380 30.742 30.300 0.104 0.000 1.037 429 R HN 0.545 nan 8.270 nan 0.000 0.478 430 A N 0.739 123.539 122.820 -0.034 0.000 2.257 430 A HA 0.426 4.746 4.320 0.001 0.000 0.289 430 A C -0.131 177.332 177.584 -0.203 0.000 1.095 430 A CA -0.341 51.591 52.037 -0.176 0.000 0.836 430 A CB 0.828 19.570 19.000 -0.429 0.000 1.111 430 A HN 0.743 nan 8.150 nan 0.000 0.497 431 T N -1.369 113.001 114.554 -0.306 0.000 2.893 431 T HA 0.705 5.056 4.350 0.001 0.000 0.291 431 T C -0.944 173.506 174.700 -0.416 0.000 1.028 431 T CA -0.642 61.352 62.100 -0.176 0.000 0.995 431 T CB 1.146 69.980 68.868 -0.057 0.000 1.051 431 T HN 0.667 nan 8.240 nan 0.000 0.470 432 H N 0.181 119.191 119.070 -0.099 0.000 2.572 432 H HA 0.902 5.458 4.556 0.001 0.000 0.359 432 H C -0.104 175.124 175.328 -0.166 0.000 1.134 432 H CA -0.465 55.518 56.048 -0.108 0.000 1.187 432 H CB 1.863 31.556 29.762 -0.115 0.000 1.597 432 H HN 1.161 nan 8.280 nan 0.000 0.524 433 A N 0.833 123.593 122.820 -0.100 0.000 2.566 433 A HA 0.535 4.855 4.320 0.001 0.000 0.290 433 A C -1.504 175.888 177.584 -0.321 0.000 1.071 433 A CA -0.966 50.831 52.037 -0.399 0.000 0.658 433 A CB 0.328 18.809 19.000 -0.865 0.000 1.285 433 A HN 0.622 nan 8.150 nan 0.000 0.427 434 F N -2.032 117.845 119.950 -0.121 0.000 2.985 434 F HA -0.134 4.393 4.527 0.001 0.000 0.303 434 F C -2.131 173.141 175.800 -0.880 0.000 0.976 434 F CA 0.806 58.587 58.000 -0.366 0.000 1.013 434 F CB -2.192 36.741 39.000 -0.112 0.000 1.060 434 F HN 0.441 nan 8.300 nan 0.000 0.780 435 P HA 0.191 nan 4.420 nan 0.000 0.284 435 P C -0.239 177.011 177.300 -0.083 0.000 1.287 435 P CA -0.537 62.435 63.100 -0.213 0.000 0.824 435 P CB 1.074 32.791 31.700 0.029 0.000 1.180 436 N N 1.038 119.717 118.700 -0.035 0.000 2.508 436 N HA 0.074 4.815 4.740 0.001 0.000 0.253 436 N C 0.995 176.503 175.510 -0.004 0.000 1.145 436 N CA 0.015 53.054 53.050 -0.018 0.000 0.973 436 N CB -0.750 37.715 38.487 -0.036 0.000 1.305 436 N HN 0.309 nan 8.380 nan 0.000 0.506 437 L N 1.396 122.612 121.223 -0.012 0.000 2.551 437 L HA -0.004 4.337 4.340 0.001 0.000 0.228 437 L C 1.621 178.422 176.870 -0.114 0.000 1.153 437 L CA 0.407 55.211 54.840 -0.060 0.000 0.851 437 L CB -0.221 41.873 42.059 0.059 0.000 0.959 437 L HN 0.458 nan 8.230 nan 0.000 0.451 438 A N 0.192 122.858 122.820 -0.256 0.000 2.337 438 A HA 0.001 4.322 4.320 0.001 0.000 0.227 438 A C 1.340 178.782 177.584 -0.236 0.000 1.259 438 A CA 0.035 51.829 52.037 -0.404 0.000 0.870 438 A CB -0.200 18.246 19.000 -0.923 0.000 0.927 438 A HN 0.595 nan 8.150 nan 0.000 0.497 439 Q N -0.644 119.055 119.800 -0.168 0.000 2.088 439 Q HA 0.398 4.738 4.340 0.001 0.000 0.270 439 Q C -1.112 174.844 176.000 -0.074 0.000 0.854 439 Q CA -0.431 55.308 55.803 -0.106 0.000 1.104 439 Q CB -0.170 28.542 28.738 -0.043 0.000 1.251 439 Q HN 0.250 nan 8.270 nan 0.000 0.436 440 I N 3.235 123.679 120.570 -0.209 0.000 2.471 440 I HA 0.244 4.414 4.170 0.001 0.000 0.286 440 I C -2.024 173.992 176.117 -0.168 0.000 1.079 440 I CA -2.038 59.164 61.300 -0.163 0.000 1.398 440 I CB 0.619 38.242 38.000 -0.629 0.000 1.403 440 I HN 0.165 nan 8.210 nan 0.000 0.530 441 P HA -0.005 nan 4.420 nan 0.000 0.264 441 P C 0.180 177.424 177.300 -0.094 0.000 1.173 441 P CA 0.097 63.193 63.100 -0.008 0.000 0.761 441 P CB 0.297 32.052 31.700 0.092 0.000 0.794 442 G N 1.159 109.910 108.800 -0.082 0.000 2.572 442 G HA2 0.276 4.237 3.960 0.001 0.000 0.261 442 G HA3 0.276 4.237 3.960 0.001 0.000 0.261 442 G C 1.160 176.042 174.900 -0.030 0.000 1.197 442 G CA -0.465 44.584 45.100 -0.085 0.000 0.870 442 G HN 0.459 nan 8.290 nan 0.000 0.548 443 V N -0.825 119.081 119.914 -0.013 0.000 3.186 443 V HA 0.005 4.126 4.120 0.001 0.000 0.270 443 V C 2.006 178.105 176.094 0.007 0.000 1.149 443 V CA 1.296 63.602 62.300 0.012 0.000 1.160 443 V CB -0.700 31.142 31.823 0.030 0.000 0.758 443 V HN 0.666 nan 8.190 nan 0.000 0.516 444 R N 1.155 121.657 120.500 0.004 0.000 2.290 444 R HA 0.213 4.553 4.340 0.001 0.000 0.197 444 R C 1.048 177.347 176.300 -0.002 0.000 0.913 444 R CA 0.638 56.737 56.100 -0.001 0.000 1.040 444 R CB 0.247 30.547 30.300 -0.001 0.000 0.992 444 R HN 0.754 nan 8.270 nan 0.000 0.500 445 S N 0.851 116.555 115.700 0.006 0.000 2.687 445 S HA 0.431 4.901 4.470 0.001 0.000 0.283 445 S C -2.631 171.977 174.600 0.014 0.000 1.170 445 S CA -1.809 56.400 58.200 0.014 0.000 1.008 445 S CB 1.589 64.805 63.200 0.027 0.000 1.026 445 S HN -0.190 nan 8.310 nan 0.000 0.541 446 P HA 0.128 nan 4.420 nan 0.000 0.261 446 P C -0.639 176.708 177.300 0.079 0.000 1.183 446 P CA 0.494 63.563 63.100 -0.051 0.000 0.761 446 P CB -0.386 31.315 31.700 0.001 0.000 0.785 447 Y N 0.991 121.315 120.300 0.039 0.000 4.881 447 Y HA -0.258 4.292 4.550 0.001 0.000 0.241 447 Y C 1.930 177.874 175.900 0.074 0.000 0.985 447 Y CA 1.333 59.467 58.100 0.057 0.000 1.976 447 Y CB -2.454 36.041 38.460 0.059 0.000 1.528 447 Y HN 0.533 nan 8.280 nan 0.000 0.581 448 G N -0.372 108.515 108.800 0.144 0.000 2.408 448 G HA2 -0.205 3.755 3.960 0.001 0.000 0.217 448 G HA3 -0.205 3.755 3.960 0.001 0.000 0.217 448 G C 1.294 176.250 174.900 0.093 0.000 1.150 448 G CA 1.067 46.231 45.100 0.108 0.000 0.776 448 G HN 0.538 nan 8.290 nan 0.000 0.542 449 E N 0.079 120.324 120.200 0.075 0.000 2.038 449 E HA -0.168 4.183 4.350 0.001 0.000 0.195 449 E C 2.638 179.306 176.600 0.113 0.000 1.000 449 E CA 1.351 57.797 56.400 0.077 0.000 0.803 449 E CB -0.066 29.666 29.700 0.053 0.000 0.750 449 E HN 0.516 nan 8.360 nan 0.000 0.448 450 Q N -0.624 119.259 119.800 0.138 0.000 2.084 450 Q HA -0.183 4.157 4.340 0.001 0.000 0.202 450 Q C 2.372 178.478 176.000 0.178 0.000 0.978 450 Q CA 1.634 57.530 55.803 0.155 0.000 0.844 450 Q CB -0.112 28.740 28.738 0.190 0.000 0.898 450 Q HN 0.394 nan 8.270 nan 0.000 0.426 451 C N 0.094 119.533 119.300 0.232 0.000 2.432 451 C HA -0.083 4.377 4.460 0.001 0.000 0.277 451 C C 2.513 177.654 174.990 0.251 0.000 1.249 451 C CA 0.386 59.590 59.018 0.309 0.000 1.725 451 C CB -0.759 27.222 27.740 0.402 0.000 2.028 451 C HN 0.459 nan 8.230 nan 0.000 0.477 452 R N 1.223 121.817 120.500 0.157 0.000 2.081 452 R HA -0.070 4.271 4.340 0.001 0.000 0.235 452 R C 2.318 178.790 176.300 0.287 0.000 1.131 452 R CA 1.698 57.886 56.100 0.146 0.000 0.960 452 R CB -1.252 29.066 30.300 0.030 0.000 0.856 452 R HN 0.561 nan 8.270 nan 0.000 0.436 453 A N 0.963 123.913 122.820 0.217 0.000 2.070 453 A HA -0.029 4.291 4.320 0.001 0.000 0.220 453 A C 2.223 179.960 177.584 0.255 0.000 1.159 453 A CA 1.532 53.704 52.037 0.226 0.000 0.656 453 A CB -0.361 18.739 19.000 0.166 0.000 0.800 453 A HN 0.342 nan 8.150 nan 0.000 0.453 454 A N -1.232 121.650 122.820 0.104 0.000 2.119 454 A HA 0.276 4.596 4.320 0.001 0.000 0.217 454 A C 0.304 177.712 177.584 -0.292 0.000 1.153 454 A CA 0.293 52.177 52.037 -0.254 0.000 0.692 454 A CB -0.343 18.348 19.000 -0.514 0.000 0.799 454 A HN 0.361 nan 8.150 nan 0.000 0.458 455 F N -0.049 119.895 119.950 -0.010 0.000 2.361 455 F HA 0.596 5.123 4.527 0.001 0.000 0.364 455 F C 0.712 176.592 175.800 0.133 0.000 1.120 455 F CA -0.192 57.704 58.000 -0.174 0.000 1.102 455 F CB 1.461 40.032 39.000 -0.716 0.000 1.183 455 F HN 0.140 nan 8.300 nan 0.000 0.476 456 G N 0.667 109.765 108.800 0.496 0.000 2.616 456 G HA2 0.476 4.436 3.960 0.001 0.000 0.294 456 G HA3 0.476 4.436 3.960 0.001 0.000 0.294 456 G C 0.045 175.119 174.900 0.290 0.000 1.489 456 G CA -0.251 45.089 45.100 0.400 0.000 0.836 456 G HN 0.676 nan 8.290 nan 0.000 0.527 457 A N 0.466 123.460 122.820 0.289 0.000 1.978 457 A HA -0.028 4.293 4.320 0.001 0.000 0.220 457 A C 2.008 179.727 177.584 0.224 0.000 1.170 457 A CA 2.247 54.481 52.037 0.328 0.000 0.636 457 A CB -0.561 18.691 19.000 0.419 0.000 0.810 457 A HN 1.037 nan 8.150 nan 0.000 0.448 458 E N -0.735 119.487 120.200 0.038 0.000 2.273 458 E HA -0.261 4.089 4.350 0.001 0.000 0.198 458 E C 1.095 177.629 176.600 -0.110 0.000 1.002 458 E CA 1.476 57.840 56.400 -0.060 0.000 0.828 458 E CB -0.581 29.005 29.700 -0.191 0.000 0.747 458 E HN 0.736 nan 8.360 nan 0.000 0.491 459 H N -0.562 118.569 119.070 0.101 0.000 2.547 459 H HA 0.111 4.668 4.556 0.001 0.000 0.266 459 H C -0.273 175.043 175.328 -0.022 0.000 0.988 459 H CA 0.606 56.665 56.048 0.018 0.000 1.147 459 H CB -0.395 29.357 29.762 -0.016 0.000 1.365 459 H HN 0.356 nan 8.280 nan 0.000 0.589 460 H N 0.449 119.482 119.070 -0.061 0.000 2.481 460 H HA 0.404 4.961 4.556 0.001 0.000 0.333 460 H C -0.797 174.447 175.328 -0.141 0.000 1.066 460 H CA -0.586 55.290 56.048 -0.286 0.000 1.209 460 H CB 0.441 29.780 29.762 -0.704 0.000 1.445 460 H HN -0.034 nan 8.280 nan 0.000 0.488 461 L N 4.010 124.816 121.223 -0.695 0.000 2.307 461 L HA 0.237 4.578 4.340 0.001 0.000 0.282 461 L C 0.189 176.712 176.870 -0.579 0.000 1.051 461 L CA -1.029 53.577 54.840 -0.391 0.000 0.804 461 L CB 1.218 43.155 42.059 -0.204 0.000 1.197 461 L HN 0.725 nan 8.230 nan 0.000 0.431 462 D N 1.753 122.123 120.400 -0.050 0.000 2.488 462 D HA 0.034 4.675 4.640 0.001 0.000 0.238 462 D C 1.274 177.605 176.300 0.052 0.000 1.138 462 D CA 0.588 54.704 54.000 0.194 0.000 0.873 462 D CB 1.669 42.718 40.800 0.416 0.000 1.183 462 D HN 0.641 nan 8.370 nan 0.000 0.458 463 G N 3.353 112.220 108.800 0.112 0.000 2.470 463 G HA2 -0.158 3.803 3.960 0.001 0.000 0.220 463 G HA3 -0.158 3.803 3.960 0.001 0.000 0.220 463 G C 1.179 176.122 174.900 0.071 0.000 1.121 463 G CA 0.498 45.638 45.100 0.067 0.000 0.766 463 G HN 0.513 nan 8.290 nan 0.000 0.553 464 I N 0.998 121.630 120.570 0.103 0.000 2.834 464 I HA 0.009 4.179 4.170 0.001 0.000 0.239 464 I C 2.981 179.134 176.117 0.059 0.000 1.073 464 I CA 1.800 63.146 61.300 0.077 0.000 1.459 464 I CB -1.424 36.628 38.000 0.087 0.000 1.288 464 I HN 0.245 nan 8.210 nan 0.000 0.455 465 T N -1.084 113.515 114.554 0.074 0.000 2.995 465 T HA 0.108 4.458 4.350 0.001 0.000 0.269 465 T C 1.689 176.414 174.700 0.042 0.000 1.091 465 T CA 1.031 63.164 62.100 0.054 0.000 1.128 465 T CB -0.233 68.670 68.868 0.058 0.000 0.891 465 T HN 0.569 nan 8.240 nan 0.000 0.492 466 G N 1.292 110.116 108.800 0.040 0.000 2.179 466 G HA2 -0.242 3.719 3.960 0.001 0.000 0.260 466 G HA3 -0.242 3.719 3.960 0.001 0.000 0.260 466 G C 0.086 174.999 174.900 0.021 0.000 0.977 466 G CA 0.180 45.285 45.100 0.010 0.000 0.641 466 G HN 0.609 nan 8.290 nan 0.000 0.533 467 K N 1.609 122.044 120.400 0.059 0.000 2.218 467 K HA 0.418 4.738 4.320 0.001 0.000 0.276 467 K C -2.049 174.629 176.600 0.130 0.000 1.022 467 K CA -2.324 54.006 56.287 0.072 0.000 0.946 467 K CB 0.927 33.464 32.500 0.062 0.000 1.000 467 K HN 0.228 nan 8.250 nan 0.000 0.468 468 P HA -0.000 nan 4.420 nan 0.000 0.269 468 P C -0.386 177.094 177.300 0.300 0.000 1.209 468 P CA -0.179 63.018 63.100 0.162 0.000 0.776 468 P CB 0.468 32.221 31.700 0.088 0.000 0.876 469 W N 2.019 123.383 121.300 0.107 0.000 2.030 469 W HA 0.318 4.979 4.660 0.001 0.000 0.360 469 W C 0.198 176.782 176.519 0.108 0.000 1.370 469 W CA 0.056 57.502 57.345 0.169 0.000 1.433 469 W CB 0.211 29.875 29.460 0.340 0.000 1.204 469 W HN 0.062 nan 8.180 nan 0.000 0.649 470 V N 0.563 120.629 119.914 0.253 0.000 2.919 470 V HA 0.378 4.499 4.120 0.001 0.000 0.316 470 V C -0.654 175.540 176.094 0.168 0.000 1.077 470 V CA -1.011 61.372 62.300 0.138 0.000 0.977 470 V CB 1.836 33.675 31.823 0.026 0.000 1.039 470 V HN 0.429 nan 8.190 nan 0.000 0.441 471 Q N 1.440 121.310 119.800 0.116 0.000 2.342 471 Q HA 0.783 5.124 4.340 0.001 0.000 0.267 471 Q C -1.021 175.007 176.000 0.046 0.000 1.038 471 Q CA -0.631 55.229 55.803 0.095 0.000 0.832 471 Q CB 2.001 30.806 28.738 0.111 0.000 1.323 471 Q HN 0.913 nan 8.270 nan 0.000 0.448 472 A N 2.137 124.961 122.820 0.007 0.000 2.319 472 A HA 0.755 5.075 4.320 0.001 0.000 0.310 472 A C -0.458 177.109 177.584 -0.029 0.000 1.152 472 A CA -0.274 51.756 52.037 -0.012 0.000 0.783 472 A CB 1.247 20.220 19.000 -0.045 0.000 1.184 472 A HN 0.717 nan 8.150 nan 0.000 0.474 473 G N 1.726 110.542 108.800 0.028 0.000 2.437 473 G HA2 0.567 4.527 3.960 0.001 0.000 0.315 473 G HA3 0.567 4.527 3.960 0.001 0.000 0.315 473 G C -0.910 174.051 174.900 0.101 0.000 1.210 473 G CA -0.253 44.880 45.100 0.056 0.000 0.943 473 G HN 0.535 nan 8.290 nan 0.000 0.471 474 I N 2.291 122.923 120.570 0.104 0.000 2.433 474 I HA 0.376 4.546 4.170 0.001 0.000 0.292 474 I C -0.829 175.480 176.117 0.320 0.000 1.001 474 I CA -0.774 60.649 61.300 0.205 0.000 1.119 474 I CB 2.401 40.541 38.000 0.233 0.000 1.289 474 I HN 0.586 nan 8.210 nan 0.000 0.438 475 D N 5.006 125.567 120.400 0.269 0.000 2.340 475 D HA 0.688 5.328 4.640 0.001 0.000 0.240 475 D C -0.775 175.567 176.300 0.069 0.000 1.001 475 D CA -0.855 53.285 54.000 0.233 0.000 0.888 475 D CB 1.898 42.833 40.800 0.225 0.000 1.310 475 D HN 0.573 nan 8.370 nan 0.000 0.474 476 A N 1.667 124.460 122.820 -0.045 0.000 2.310 476 A HA 0.493 4.813 4.320 0.001 0.000 0.300 476 A C 0.109 177.659 177.584 -0.056 0.000 1.269 476 A CA -0.670 51.223 52.037 -0.241 0.000 0.909 476 A CB -0.273 18.520 19.000 -0.345 0.000 1.144 476 A HN 0.491 nan 8.150 nan 0.000 0.540 477 S N 1.787 117.462 115.700 -0.042 0.000 2.537 477 S HA 0.351 4.822 4.470 0.001 0.000 0.286 477 S C 1.369 175.999 174.600 0.049 0.000 1.299 477 S CA 0.535 58.750 58.200 0.025 0.000 1.067 477 S CB 0.518 63.729 63.200 0.019 0.000 0.864 477 S HN 1.948 nan 8.310 nan 0.000 0.494 478 G N 2.151 111.012 108.800 0.102 0.000 2.451 478 G HA2 -0.261 3.699 3.960 0.001 0.000 0.296 478 G HA3 -0.261 3.699 3.960 0.001 0.000 0.296 478 G C 0.631 175.622 174.900 0.152 0.000 0.922 478 G CA 0.400 45.588 45.100 0.148 0.000 1.074 478 G HN 0.700 nan 8.290 nan 0.000 0.509 479 L N -0.343 120.959 121.223 0.131 0.000 2.079 479 L HA -0.035 4.305 4.340 0.001 0.000 0.210 479 L C 2.545 179.547 176.870 0.221 0.000 1.081 479 L CA 2.617 57.538 54.840 0.134 0.000 0.752 479 L CB -0.145 41.971 42.059 0.095 0.000 0.896 479 L HN 0.395 nan 8.230 nan 0.000 0.433 480 E N -0.412 119.947 120.200 0.266 0.000 2.047 480 E HA -0.180 4.171 4.350 0.001 0.000 0.191 480 E C 2.312 179.133 176.600 0.369 0.000 0.987 480 E CA 1.405 58.013 56.400 0.347 0.000 0.799 480 E CB -0.388 29.564 29.700 0.419 0.000 0.752 480 E HN 0.510 nan 8.360 nan 0.000 0.449 481 L N 0.395 121.828 121.223 0.349 0.000 2.217 481 L HA -0.082 4.258 4.340 0.001 0.000 0.211 481 L C 2.550 179.614 176.870 0.324 0.000 1.107 481 L CA 0.720 55.754 54.840 0.323 0.000 0.783 481 L CB -0.197 42.013 42.059 0.252 0.000 0.919 481 L HN 0.032 nan 8.230 nan 0.000 0.442 482 R N -1.109 119.562 120.500 0.284 0.000 2.090 482 R HA -0.084 4.256 4.340 0.001 0.000 0.228 482 R C 2.360 178.890 176.300 0.383 0.000 1.110 482 R CA 1.264 57.537 56.100 0.289 0.000 0.973 482 R CB -0.500 29.939 30.300 0.232 0.000 0.869 482 R HN 0.380 nan 8.270 nan 0.000 0.440 483 C N 0.783 120.339 119.300 0.427 0.000 2.440 483 C HA -0.055 4.405 4.460 0.001 0.000 0.278 483 C C 2.544 177.813 174.990 0.465 0.000 1.295 483 C CA 0.246 59.571 59.018 0.512 0.000 1.738 483 C CB -0.813 27.253 27.740 0.542 0.000 1.987 483 C HN 0.434 nan 8.230 nan 0.000 0.492 484 L N 1.826 123.308 121.223 0.432 0.000 2.141 484 L HA 0.031 4.371 4.340 0.001 0.000 0.209 484 L C 2.441 179.485 176.870 0.291 0.000 1.094 484 L CA 2.238 57.308 54.840 0.384 0.000 0.763 484 L CB -0.715 41.513 42.059 0.282 0.000 0.908 484 L HN 0.223 nan 8.230 nan 0.000 0.437 485 A N -1.287 121.720 122.820 0.312 0.000 1.968 485 A HA -0.244 4.076 4.320 0.001 0.000 0.217 485 A C 2.217 179.864 177.584 0.104 0.000 1.169 485 A CA 1.469 53.684 52.037 0.298 0.000 0.638 485 A CB -0.984 18.230 19.000 0.357 0.000 0.812 485 A HN 0.755 nan 8.150 nan 0.000 0.446 486 H N -1.649 117.330 119.070 -0.152 0.000 2.395 486 H HA -0.026 4.530 4.556 0.001 0.000 0.299 486 H C 1.315 176.359 175.328 -0.474 0.000 1.070 486 H CA 1.775 57.495 56.048 -0.547 0.000 1.356 486 H CB -0.267 28.678 29.762 -1.361 0.000 1.401 486 H HN 0.412 nan 8.280 nan 0.000 0.524 487 F N 0.471 120.322 119.950 -0.165 0.000 2.456 487 F HA -0.020 4.508 4.527 0.001 0.000 0.298 487 F C 2.221 178.003 175.800 -0.030 0.000 1.104 487 F CA 0.910 58.821 58.000 -0.148 0.000 1.435 487 F CB -0.166 38.854 39.000 0.034 0.000 1.078 487 F HN 0.333 nan 8.300 nan 0.000 0.546 488 M N -1.765 117.937 119.600 0.170 0.000 2.441 488 M HA 0.416 4.896 4.480 0.001 0.000 0.244 488 M C 1.877 178.252 176.300 0.126 0.000 1.122 488 M CA 0.767 56.207 55.300 0.232 0.000 1.041 488 M CB -0.667 32.009 32.600 0.127 0.000 1.438 488 M HN -0.030 nan 8.290 nan 0.000 0.484 489 A N 1.931 124.737 122.820 -0.023 0.000 2.070 489 A HA -0.135 4.186 4.320 0.001 0.000 0.220 489 A C 2.384 179.888 177.584 -0.134 0.000 1.159 489 A CA 1.520 53.516 52.037 -0.069 0.000 0.656 489 A CB -0.847 18.067 19.000 -0.143 0.000 0.800 489 A HN 0.651 nan 8.150 nan 0.000 0.453 490 R N -1.589 118.767 120.500 -0.240 0.000 2.148 490 R HA -0.083 4.257 4.340 0.001 0.000 0.227 490 R C 0.784 176.745 176.300 -0.566 0.000 1.103 490 R CA 1.621 57.440 56.100 -0.468 0.000 0.983 490 R CB -0.175 29.702 30.300 -0.704 0.000 0.874 490 R HN 0.539 nan 8.270 nan 0.000 0.451 491 F N -0.498 119.430 119.950 -0.036 0.000 2.727 491 F HA 0.140 4.668 4.527 0.001 0.000 0.302 491 F C 1.050 176.837 175.800 -0.023 0.000 1.107 491 F CA -0.135 57.849 58.000 -0.027 0.000 1.277 491 F CB 0.554 39.540 39.000 -0.023 0.000 1.079 491 F HN 0.085 nan 8.300 nan 0.000 0.594 492 D N -1.283 119.195 120.400 0.129 0.000 2.540 492 D HA 0.005 4.646 4.640 0.001 0.000 0.229 492 D C 0.120 176.444 176.300 0.040 0.000 1.250 492 D CA -0.105 53.946 54.000 0.085 0.000 0.817 492 D CB -0.909 39.952 40.800 0.102 0.000 1.060 492 D HN 0.167 nan 8.370 nan 0.000 0.508 493 N N 1.250 119.952 118.700 0.003 0.000 2.699 493 N HA -0.242 4.498 4.740 0.001 0.000 0.256 493 N C 0.968 176.477 175.510 -0.002 0.000 0.993 493 N CA 1.116 54.154 53.050 -0.020 0.000 0.759 493 N CB -1.368 37.106 38.487 -0.022 0.000 0.906 493 N HN 0.645 nan 8.380 nan 0.000 0.541 494 G N -0.099 108.711 108.800 0.015 0.000 2.155 494 G HA2 -0.361 3.600 3.960 0.001 0.000 0.257 494 G HA3 -0.361 3.600 3.960 0.001 0.000 0.257 494 G C 0.509 175.464 174.900 0.091 0.000 0.983 494 G CA 1.018 46.147 45.100 0.048 0.000 0.676 494 G HN 0.705 nan 8.290 nan 0.000 0.528 495 E N -0.888 119.368 120.200 0.092 0.000 2.023 495 E HA -0.180 4.170 4.350 0.001 0.000 0.196 495 E C 1.929 178.637 176.600 0.180 0.000 1.003 495 E CA 1.357 57.822 56.400 0.110 0.000 0.809 495 E CB -0.131 29.625 29.700 0.094 0.000 0.755 495 E HN 0.692 nan 8.360 nan 0.000 0.449 496 Y N 0.283 120.620 120.300 0.061 0.000 2.224 496 Y HA -0.187 4.364 4.550 0.001 0.000 0.289 496 Y C 2.100 178.045 175.900 0.073 0.000 1.146 496 Y CA 1.371 59.509 58.100 0.064 0.000 1.182 496 Y CB -0.140 38.358 38.460 0.063 0.000 0.983 496 Y HN 0.191 nan 8.280 nan 0.000 0.524 497 A N -0.717 122.219 122.820 0.192 0.000 1.933 497 A HA -0.282 4.038 4.320 0.001 0.000 0.218 497 A C 2.181 179.802 177.584 0.062 0.000 1.175 497 A CA 1.941 54.048 52.037 0.118 0.000 0.628 497 A CB -1.189 17.882 19.000 0.117 0.000 0.814 497 A HN 0.697 nan 8.150 nan 0.000 0.444 498 H N -0.501 118.566 119.070 -0.005 0.000 2.457 498 H HA -0.053 4.503 4.556 0.001 0.000 0.294 498 H C 1.580 176.870 175.328 -0.064 0.000 1.064 498 H CA 1.416 57.451 56.048 -0.022 0.000 1.330 498 H CB 0.151 29.908 29.762 -0.008 0.000 1.395 498 H HN 0.440 nan 8.280 nan 0.000 0.541 499 E N 0.702 120.855 120.200 -0.079 0.000 2.106 499 E HA -0.118 4.232 4.350 0.001 0.000 0.192 499 E C 2.514 178.959 176.600 -0.257 0.000 0.984 499 E CA 0.343 56.625 56.400 -0.197 0.000 0.806 499 E CB 0.056 29.563 29.700 -0.322 0.000 0.750 499 E HN 0.492 nan 8.360 nan 0.000 0.458 500 I N 1.317 121.734 120.570 -0.255 0.000 2.113 500 I HA -0.265 3.906 4.170 0.001 0.000 0.238 500 I C 2.630 178.658 176.117 -0.148 0.000 1.070 500 I CA 0.980 62.168 61.300 -0.186 0.000 1.332 500 I CB -1.370 36.573 38.000 -0.096 0.000 1.044 500 I HN 0.121 nan 8.210 nan 0.000 0.402 501 L N 0.691 121.824 121.223 -0.151 0.000 1.978 501 L HA -0.314 4.026 4.340 0.001 0.000 0.218 501 L C 2.439 179.196 176.870 -0.188 0.000 1.075 501 L CA 2.055 56.800 54.840 -0.157 0.000 0.767 501 L CB -0.992 40.955 42.059 -0.186 0.000 0.890 501 L HN 0.466 nan 8.230 nan 0.000 0.434 502 N N 0.056 118.581 118.700 -0.290 0.000 2.348 502 N HA -0.110 4.630 4.740 0.001 0.000 0.185 502 N C 0.814 176.248 175.510 -0.127 0.000 1.019 502 N CA 1.090 54.007 53.050 -0.223 0.000 0.880 502 N CB 0.174 38.513 38.487 -0.246 0.000 0.965 502 N HN 0.533 nan 8.380 nan 0.000 0.437 503 G N 0.166 108.892 108.800 -0.123 0.000 2.663 503 G HA2 -0.182 3.779 3.960 0.001 0.000 0.686 503 G HA3 -0.182 3.779 3.960 0.001 0.000 0.686 503 G C -0.809 174.045 174.900 -0.076 0.000 1.288 503 G CA -0.209 44.842 45.100 -0.081 0.000 0.836 503 G HN 0.347 nan 8.290 nan 0.000 0.584 504 D N -1.427 118.945 120.400 -0.046 0.000 2.697 504 D HA -0.201 4.439 4.640 0.001 0.000 0.238 504 D C 1.431 177.691 176.300 -0.067 0.000 1.152 504 D CA 1.108 55.093 54.000 -0.024 0.000 0.666 504 D CB -0.553 40.245 40.800 -0.003 0.000 1.037 504 D HN 0.830 nan 8.370 nan 0.000 0.423 505 I N 0.418 120.894 120.570 -0.156 0.000 2.361 505 I HA -0.237 3.933 4.170 0.001 0.000 0.251 505 I C 2.151 178.167 176.117 -0.170 0.000 1.133 505 I CA 1.704 62.861 61.300 -0.238 0.000 1.413 505 I CB -0.081 37.710 38.000 -0.349 0.000 1.073 505 I HN 0.256 nan 8.210 nan 0.000 0.424 506 H N -0.547 118.538 119.070 0.024 0.000 2.423 506 H HA -0.021 4.536 4.556 0.001 0.000 0.297 506 H C 2.133 177.485 175.328 0.040 0.000 1.075 506 H CA 1.725 57.799 56.048 0.043 0.000 1.342 506 H CB -0.577 29.212 29.762 0.045 0.000 1.395 506 H HN 0.315 nan 8.280 nan 0.000 0.530 507 T N 0.644 115.269 114.554 0.118 0.000 2.857 507 T HA -0.087 4.263 4.350 0.001 0.000 0.266 507 T C 2.052 176.787 174.700 0.058 0.000 1.048 507 T CA 0.960 63.104 62.100 0.073 0.000 1.139 507 T CB 0.257 69.151 68.868 0.043 0.000 0.874 507 T HN 0.331 nan 8.240 nan 0.000 0.455 508 K N 0.981 121.405 120.400 0.041 0.000 2.097 508 K HA -0.085 4.236 4.320 0.001 0.000 0.205 508 K C 1.899 178.569 176.600 0.118 0.000 1.050 508 K CA 1.089 57.402 56.287 0.045 0.000 0.938 508 K CB -0.027 32.469 32.500 -0.007 0.000 0.718 508 K HN 0.152 nan 8.250 nan 0.000 0.442 509 N N 1.097 119.910 118.700 0.188 0.000 2.270 509 N HA -0.172 4.568 4.740 0.001 0.000 0.181 509 N C 1.717 177.358 175.510 0.217 0.000 1.016 509 N CA 0.856 54.119 53.050 0.355 0.000 0.870 509 N CB -0.120 38.614 38.487 0.412 0.000 0.979 509 N HN 0.396 nan 8.380 nan 0.000 0.431 510 Q N 0.779 120.648 119.800 0.114 0.000 2.050 510 Q HA -0.033 4.308 4.340 0.001 0.000 0.202 510 Q C 1.999 178.002 176.000 0.005 0.000 0.980 510 Q CA 1.037 56.855 55.803 0.025 0.000 0.840 510 Q CB -0.038 28.717 28.738 0.030 0.000 0.898 510 Q HN 0.318 nan 8.270 nan 0.000 0.424 511 I N 0.606 121.193 120.570 0.028 0.000 2.286 511 I HA -0.250 3.921 4.170 0.001 0.000 0.248 511 I C 2.351 178.472 176.117 0.007 0.000 1.115 511 I CA 1.017 62.323 61.300 0.011 0.000 1.392 511 I CB -0.326 37.682 38.000 0.014 0.000 1.065 511 I HN 0.276 nan 8.210 nan 0.000 0.418 512 A N 0.298 123.141 122.820 0.039 0.000 1.970 512 A HA 0.095 4.416 4.320 0.001 0.000 0.216 512 A C 2.336 179.946 177.584 0.043 0.000 1.170 512 A CA 1.406 53.450 52.037 0.012 0.000 0.645 512 A CB -0.420 18.555 19.000 -0.041 0.000 0.816 512 A HN 0.405 nan 8.150 nan 0.000 0.447 513 A N -0.989 121.877 122.820 0.076 0.000 2.267 513 A HA 0.312 4.633 4.320 0.001 0.000 0.213 513 A C 0.562 178.034 177.584 -0.186 0.000 1.192 513 A CA 0.697 52.670 52.037 -0.107 0.000 0.851 513 A CB -0.262 18.376 19.000 -0.604 0.000 0.881 513 A HN 0.515 nan 8.150 nan 0.000 0.494 514 E N -0.151 119.984 120.200 -0.110 0.000 2.416 514 E HA -0.153 4.198 4.350 0.001 0.000 0.249 514 E C -0.701 175.830 176.600 -0.115 0.000 1.124 514 E CA 0.196 56.541 56.400 -0.091 0.000 0.732 514 E CB -1.971 27.686 29.700 -0.071 0.000 1.286 514 E HN 0.372 nan 8.360 nan 0.000 0.394 515 L N 0.993 122.130 121.223 -0.142 0.000 2.418 515 L HA 0.163 4.503 4.340 0.001 0.000 0.265 515 L C -0.102 176.727 176.870 -0.069 0.000 1.143 515 L CA -1.164 53.598 54.840 -0.130 0.000 0.809 515 L CB -0.088 41.872 42.059 -0.165 0.000 1.124 515 L HN -0.008 nan 8.230 nan 0.000 0.456 516 P HA -0.051 nan 4.420 nan 0.000 0.219 516 P C 0.368 177.656 177.300 -0.020 0.000 1.150 516 P CA 0.778 63.860 63.100 -0.030 0.000 0.814 516 P CB 0.298 31.984 31.700 -0.024 0.000 0.787 517 T N -4.390 110.152 114.554 -0.019 0.000 2.907 517 T HA 0.446 4.796 4.350 0.001 0.000 0.292 517 T C 0.929 175.626 174.700 -0.005 0.000 1.043 517 T CA -0.924 61.171 62.100 -0.009 0.000 1.003 517 T CB 2.677 71.542 68.868 -0.005 0.000 1.084 517 T HN -0.183 nan 8.240 nan 0.000 0.483 518 R N 0.526 121.029 120.500 0.005 0.000 2.096 518 R HA -0.104 4.237 4.340 0.001 0.000 0.235 518 R C 1.402 177.698 176.300 -0.007 0.000 1.127 518 R CA 1.884 57.993 56.100 0.016 0.000 0.968 518 R CB -0.386 29.930 30.300 0.027 0.000 0.861 518 R HN 0.728 nan 8.270 nan 0.000 0.440 519 D N 0.065 120.458 120.400 -0.012 0.000 2.144 519 D HA -0.124 4.517 4.640 0.001 0.000 0.200 519 D C 1.274 177.570 176.300 -0.006 0.000 0.978 519 D CA 0.857 54.845 54.000 -0.021 0.000 0.833 519 D CB -0.201 40.594 40.800 -0.009 0.000 0.961 519 D HN 0.267 nan 8.370 nan 0.000 0.470 520 N N 0.996 119.698 118.700 0.002 0.000 2.223 520 N HA -0.116 4.624 4.740 0.001 0.000 0.185 520 N C 1.744 177.278 175.510 0.040 0.000 1.016 520 N CA 0.985 54.045 53.050 0.016 0.000 0.863 520 N CB -0.227 38.254 38.487 -0.009 0.000 0.983 520 N HN 0.124 nan 8.380 nan 0.000 0.429 521 A N 1.347 124.179 122.820 0.021 0.000 1.898 521 A HA -0.105 4.215 4.320 0.001 0.000 0.216 521 A C 2.138 179.776 177.584 0.090 0.000 1.181 521 A CA 1.243 53.320 52.037 0.067 0.000 0.620 521 A CB -0.269 18.773 19.000 0.072 0.000 0.819 521 A HN 0.243 nan 8.150 nan 0.000 0.442 522 K N -1.121 119.249 120.400 -0.050 0.000 2.057 522 K HA -0.111 4.209 4.320 0.001 0.000 0.207 522 K C 2.150 178.763 176.600 0.022 0.000 1.049 522 K CA 1.650 57.825 56.287 -0.187 0.000 0.931 522 K CB -0.417 31.864 32.500 -0.366 0.000 0.714 522 K HN 0.462 nan 8.250 nan 0.000 0.440 523 T N 0.065 114.659 114.554 0.067 0.000 3.035 523 T HA -0.097 4.253 4.350 0.001 0.000 0.268 523 T C 1.370 176.134 174.700 0.107 0.000 1.109 523 T CA 0.542 62.711 62.100 0.115 0.000 1.119 523 T CB -0.186 68.736 68.868 0.088 0.000 0.900 523 T HN 0.230 nan 8.240 nan 0.000 0.503 524 F N 1.013 120.920 119.950 -0.072 0.000 2.074 524 F HA 0.149 4.677 4.527 0.001 0.000 0.290 524 F C 1.836 177.529 175.800 -0.179 0.000 1.118 524 F CA 0.670 58.597 58.000 -0.121 0.000 1.199 524 F CB -0.839 38.048 39.000 -0.188 0.000 1.012 524 F HN 0.124 nan 8.300 nan 0.000 0.472 525 I N 0.261 120.596 120.570 -0.391 0.000 2.145 525 I HA -0.366 3.804 4.170 0.001 0.000 0.244 525 I C 2.103 177.862 176.117 -0.597 0.000 1.075 525 I CA 1.926 62.865 61.300 -0.601 0.000 1.332 525 I CB -0.859 36.901 38.000 -0.401 0.000 1.033 525 I HN 0.275 nan 8.210 nan 0.000 0.410 526 Y N 0.404 120.544 120.300 -0.266 0.000 2.242 526 Y HA -0.007 4.543 4.550 0.001 0.000 0.291 526 Y C 2.598 178.250 175.900 -0.412 0.000 1.137 526 Y CA 1.153 58.992 58.100 -0.435 0.000 1.181 526 Y CB -1.525 36.813 38.460 -0.203 0.000 0.989 526 Y HN 0.202 nan 8.280 nan 0.000 0.527 527 G N -0.703 108.027 108.800 -0.115 0.000 2.404 527 G HA2 -0.296 3.665 3.960 0.001 0.000 0.215 527 G HA3 -0.296 3.665 3.960 0.001 0.000 0.215 527 G C 1.660 176.472 174.900 -0.147 0.000 1.174 527 G CA 0.834 45.893 45.100 -0.068 0.000 0.780 527 G HN 0.409 nan 8.290 nan 0.000 0.537 528 F N 0.757 120.391 119.950 -0.526 0.000 2.113 528 F HA 0.042 4.570 4.527 0.001 0.000 0.297 528 F C 2.270 177.880 175.800 -0.317 0.000 1.103 528 F CA 0.861 58.538 58.000 -0.540 0.000 1.248 528 F CB -0.279 38.054 39.000 -1.112 0.000 0.999 528 F HN 0.039 nan 8.300 nan 0.000 0.475 529 L N -0.443 120.518 121.223 -0.437 0.000 2.191 529 L HA -0.207 4.133 4.340 0.001 0.000 0.212 529 L C 1.451 178.259 176.870 -0.103 0.000 1.103 529 L CA 1.589 56.204 54.840 -0.374 0.000 0.769 529 L CB -1.266 40.592 42.059 -0.335 0.000 0.908 529 L HN 0.233 nan 8.230 nan 0.000 0.438 530 Y N -1.230 118.978 120.300 -0.153 0.000 2.468 530 Y HA 0.493 5.043 4.550 0.001 0.000 0.268 530 Y C 1.826 177.651 175.900 -0.125 0.000 1.177 530 Y CA -0.273 57.759 58.100 -0.113 0.000 1.265 530 Y CB -0.177 38.265 38.460 -0.030 0.000 1.103 530 Y HN 0.180 nan 8.280 nan 0.000 0.522 531 G N -0.667 108.135 108.800 0.004 0.000 2.255 531 G HA2 -0.111 3.849 3.960 0.001 0.000 0.196 531 G HA3 -0.111 3.849 3.960 0.001 0.000 0.196 531 G C 0.555 175.549 174.900 0.157 0.000 0.998 531 G CA -0.366 44.803 45.100 0.115 0.000 0.656 531 G HN 0.544 nan 8.290 nan 0.000 0.490 532 A N 0.794 123.665 122.820 0.085 0.000 2.603 532 A HA 0.491 4.811 4.320 0.001 0.000 0.235 532 A C 1.372 179.005 177.584 0.081 0.000 1.035 532 A CA 1.541 53.629 52.037 0.084 0.000 0.755 532 A CB 0.021 19.055 19.000 0.057 0.000 0.954 532 A HN 1.889 nan 8.150 nan 0.000 0.511 533 G N 0.748 109.592 108.800 0.073 0.000 2.599 533 G HA2 0.350 4.311 3.960 0.001 0.000 0.264 533 G HA3 0.350 4.311 3.960 0.001 0.000 0.264 533 G C 0.415 175.354 174.900 0.064 0.000 1.200 533 G CA 0.017 45.149 45.100 0.053 0.000 0.896 533 G HN 0.728 nan 8.290 nan 0.000 0.536 534 D N -0.522 119.911 120.400 0.055 0.000 2.221 534 D HA -0.142 4.499 4.640 0.001 0.000 0.204 534 D C 1.801 178.136 176.300 0.058 0.000 0.982 534 D CA 1.259 55.300 54.000 0.069 0.000 0.857 534 D CB 0.207 41.036 40.800 0.049 0.000 0.934 534 D HN 0.723 nan 8.370 nan 0.000 0.475 535 E N 1.006 121.227 120.200 0.036 0.000 2.016 535 E HA -0.183 4.168 4.350 0.001 0.000 0.190 535 E C 2.076 178.705 176.600 0.048 0.000 0.985 535 E CA 1.051 57.471 56.400 0.033 0.000 0.802 535 E CB 0.184 29.893 29.700 0.016 0.000 0.762 535 E HN -0.059 nan 8.360 nan 0.000 0.448 536 K N 0.388 120.820 120.400 0.053 0.000 2.103 536 K HA -0.125 4.195 4.320 0.001 0.000 0.207 536 K C 2.048 178.696 176.600 0.079 0.000 1.048 536 K CA 1.256 57.581 56.287 0.062 0.000 0.930 536 K CB -0.602 31.936 32.500 0.065 0.000 0.716 536 K HN 0.267 nan 8.250 nan 0.000 0.444 537 I N 0.584 121.213 120.570 0.098 0.000 2.202 537 I HA -0.032 4.138 4.170 0.001 0.000 0.242 537 I C 2.758 178.947 176.117 0.120 0.000 1.091 537 I CA 1.864 63.251 61.300 0.143 0.000 1.368 537 I CB -1.908 36.208 38.000 0.193 0.000 1.058 537 I HN 0.504 nan 8.210 nan 0.000 0.410 538 G N 0.429 109.281 108.800 0.086 0.000 2.442 538 G HA2 -0.250 3.710 3.960 0.001 0.000 0.219 538 G HA3 -0.250 3.710 3.960 0.001 0.000 0.219 538 G C 1.469 176.399 174.900 0.049 0.000 1.141 538 G CA 0.241 45.376 45.100 0.058 0.000 0.763 538 G HN 0.474 nan 8.290 nan 0.000 0.554 539 Q N -0.224 119.607 119.800 0.051 0.000 2.439 539 Q HA 0.016 4.356 4.340 0.001 0.000 0.211 539 Q C 2.412 178.439 176.000 0.046 0.000 0.978 539 Q CA 0.362 56.192 55.803 0.045 0.000 0.897 539 Q CB -0.176 28.590 28.738 0.045 0.000 0.956 539 Q HN 0.569 nan 8.270 nan 0.000 0.483 540 I N 0.269 120.873 120.570 0.058 0.000 2.202 540 I HA -0.195 3.976 4.170 0.001 0.000 0.242 540 I C 1.911 178.048 176.117 0.034 0.000 1.091 540 I CA 1.077 62.411 61.300 0.057 0.000 1.368 540 I CB -0.107 37.945 38.000 0.086 0.000 1.058 540 I HN 0.104 nan 8.210 nan 0.000 0.410 541 V N -1.314 118.614 119.914 0.023 0.000 3.421 541 V HA 0.483 4.603 4.120 0.001 0.000 0.316 541 V C 0.940 177.041 176.094 0.010 0.000 1.347 541 V CA 0.053 62.358 62.300 0.007 0.000 1.183 541 V CB -0.724 31.093 31.823 -0.010 0.000 1.092 541 V HN 0.547 nan 8.190 nan 0.000 0.433 542 G N -0.418 108.393 108.800 0.018 0.000 2.401 542 G HA2 0.263 4.224 3.960 0.001 0.000 0.283 542 G HA3 0.263 4.224 3.960 0.001 0.000 0.283 542 G C -0.000 174.909 174.900 0.016 0.000 1.117 542 G CA 0.237 45.347 45.100 0.018 0.000 1.051 542 G HN 1.735 nan 8.290 nan 0.000 0.510 543 A N -1.241 121.591 122.820 0.020 0.000 3.136 543 A HA 1.099 5.419 4.320 0.001 0.000 0.299 543 A C 0.614 178.211 177.584 0.022 0.000 1.197 543 A CA 0.135 52.183 52.037 0.018 0.000 0.640 543 A CB 0.552 19.560 19.000 0.014 0.000 1.440 543 A HN 1.997 nan 8.150 nan 0.000 0.614 544 G N -1.282 107.530 108.800 0.020 0.000 3.262 544 G HA2 0.485 4.446 3.960 0.001 0.000 0.229 544 G HA3 0.485 4.446 3.960 0.001 0.000 0.229 544 G C 0.520 175.434 174.900 0.023 0.000 1.280 544 G CA 0.289 45.402 45.100 0.020 0.000 0.951 544 G HN 1.034 nan 8.290 nan 0.000 0.589 545 K N -0.179 120.231 120.400 0.016 0.000 2.152 545 K HA -0.125 4.195 4.320 0.001 0.000 0.206 545 K C 1.799 178.411 176.600 0.019 0.000 1.048 545 K CA 2.023 58.320 56.287 0.017 0.000 0.933 545 K CB -0.123 32.377 32.500 -0.000 0.000 0.721 545 K HN 0.545 nan 8.250 nan 0.000 0.447 546 E N 1.373 121.581 120.200 0.013 0.000 2.023 546 E HA -0.272 4.078 4.350 0.001 0.000 0.196 546 E C 2.290 178.901 176.600 0.017 0.000 1.003 546 E CA 1.406 57.814 56.400 0.012 0.000 0.809 546 E CB -0.037 29.667 29.700 0.007 0.000 0.755 546 E HN 0.300 nan 8.360 nan 0.000 0.449 547 R N 0.015 120.526 120.500 0.017 0.000 2.148 547 R HA -0.051 4.289 4.340 0.001 0.000 0.227 547 R C 2.109 178.427 176.300 0.030 0.000 1.103 547 R CA 1.511 57.620 56.100 0.016 0.000 0.983 547 R CB -0.690 29.617 30.300 0.011 0.000 0.874 547 R HN 0.296 nan 8.270 nan 0.000 0.451 548 G N 0.519 109.347 108.800 0.046 0.000 2.434 548 G HA2 -0.248 3.712 3.960 0.001 0.000 0.214 548 G HA3 -0.248 3.712 3.960 0.001 0.000 0.214 548 G C 1.112 176.067 174.900 0.091 0.000 1.202 548 G CA 0.760 45.907 45.100 0.079 0.000 0.788 548 G HN 0.328 nan 8.290 nan 0.000 0.539 549 K N 0.467 120.909 120.400 0.070 0.000 2.113 549 K HA -0.115 4.206 4.320 0.001 0.000 0.208 549 K C 2.400 179.041 176.600 0.068 0.000 1.047 549 K CA 1.478 57.809 56.287 0.073 0.000 0.928 549 K CB -0.135 32.394 32.500 0.048 0.000 0.716 549 K HN 0.421 nan 8.250 nan 0.000 0.446 550 E N 0.299 120.526 120.200 0.045 0.000 2.216 550 E HA -0.120 4.231 4.350 0.001 0.000 0.192 550 E C 1.786 178.399 176.600 0.022 0.000 0.988 550 E CA 0.328 56.745 56.400 0.028 0.000 0.834 550 E CB 0.107 29.814 29.700 0.011 0.000 0.772 550 E HN 0.071 nan 8.360 nan 0.000 0.479 551 L N 1.307 122.546 121.223 0.027 0.000 2.109 551 L HA -0.115 4.226 4.340 0.001 0.000 0.207 551 L C 1.812 178.705 176.870 0.038 0.000 1.086 551 L CA 1.779 56.608 54.840 -0.019 0.000 0.760 551 L CB -0.116 41.934 42.059 -0.015 0.000 0.910 551 L HN -0.094 nan 8.230 nan 0.000 0.437 552 K N -0.951 119.535 120.400 0.144 0.000 2.076 552 K HA -0.127 4.194 4.320 0.001 0.000 0.204 552 K C 2.069 178.760 176.600 0.152 0.000 1.051 552 K CA 0.897 57.294 56.287 0.184 0.000 0.949 552 K CB -0.065 32.623 32.500 0.315 0.000 0.726 552 K HN 0.079 nan 8.250 nan 0.000 0.443 553 K N 1.033 121.504 120.400 0.118 0.000 2.148 553 K HA -0.132 4.188 4.320 0.001 0.000 0.204 553 K C 2.050 178.679 176.600 0.049 0.000 1.050 553 K CA 1.112 57.450 56.287 0.084 0.000 0.942 553 K CB 0.224 32.760 32.500 0.060 0.000 0.724 553 K HN -0.162 nan 8.250 nan 0.000 0.446 554 K N 0.391 120.815 120.400 0.040 0.000 2.031 554 K HA -0.114 4.207 4.320 0.001 0.000 0.205 554 K C 1.860 178.465 176.600 0.009 0.000 1.049 554 K CA 1.122 57.414 56.287 0.008 0.000 0.939 554 K CB -0.538 31.953 32.500 -0.014 0.000 0.717 554 K HN 0.133 nan 8.250 nan 0.000 0.438 555 F N 1.674 121.551 119.950 -0.122 0.000 2.126 555 F HA -0.161 4.366 4.527 0.001 0.000 0.299 555 F C 1.915 177.654 175.800 -0.102 0.000 1.096 555 F CA 1.370 59.287 58.000 -0.139 0.000 1.255 555 F CB -0.213 38.681 39.000 -0.178 0.000 0.997 555 F HN -0.064 nan 8.300 nan 0.000 0.479 556 L N -0.327 120.869 121.223 -0.046 0.000 2.141 556 L HA -0.165 4.176 4.340 0.001 0.000 0.209 556 L C 2.247 179.051 176.870 -0.110 0.000 1.094 556 L CA 1.400 56.197 54.840 -0.071 0.000 0.763 556 L CB -0.732 41.377 42.059 0.083 0.000 0.908 556 L HN 0.185 nan 8.230 nan 0.000 0.437 557 E N 0.263 120.416 120.200 -0.079 0.000 2.107 557 E HA -0.161 4.190 4.350 0.001 0.000 0.191 557 E C 1.657 178.194 176.600 -0.105 0.000 0.982 557 E CA 1.132 57.490 56.400 -0.070 0.000 0.809 557 E CB -0.109 29.566 29.700 -0.041 0.000 0.756 557 E HN 0.580 nan 8.360 nan 0.000 0.459 558 N N -0.259 118.351 118.700 -0.150 0.000 2.457 558 N HA -0.027 4.714 4.740 0.001 0.000 0.180 558 N C -0.151 175.228 175.510 -0.219 0.000 1.050 558 N CA 0.657 53.611 53.050 -0.161 0.000 0.906 558 N CB 0.508 38.903 38.487 -0.152 0.000 0.968 558 N HN -0.072 nan 8.380 nan 0.000 0.445 559 T N 0.756 115.110 114.554 -0.333 0.000 3.514 559 T HA 0.201 4.552 4.350 0.001 0.000 0.259 559 T C -2.146 172.415 174.700 -0.232 0.000 1.466 559 T CA -1.176 60.718 62.100 -0.342 0.000 1.562 559 T CB 1.335 69.798 68.868 -0.674 0.000 0.924 559 T HN -0.067 nan 8.240 nan 0.000 0.678 560 P HA -0.256 nan 4.420 nan 0.000 0.217 560 P C 1.797 179.025 177.300 -0.120 0.000 1.158 560 P CA 1.446 64.483 63.100 -0.105 0.000 0.887 560 P CB 0.121 31.782 31.700 -0.065 0.000 0.792 561 A N -1.024 121.741 122.820 -0.093 0.000 1.917 561 A HA -0.237 4.083 4.320 0.001 0.000 0.219 561 A C 2.240 179.732 177.584 -0.153 0.000 1.182 561 A CA 1.867 53.858 52.037 -0.076 0.000 0.633 561 A CB -1.678 17.330 19.000 0.014 0.000 0.819 561 A HN 0.154 nan 8.150 nan 0.000 0.448 562 I N -0.501 119.984 120.570 -0.141 0.000 2.179 562 I HA -0.276 3.894 4.170 0.001 0.000 0.242 562 I C 3.009 179.085 176.117 -0.069 0.000 1.088 562 I CA 1.017 62.272 61.300 -0.075 0.000 1.357 562 I CB -0.412 37.599 38.000 0.018 0.000 1.051 562 I HN 0.371 nan 8.210 nan 0.000 0.409 563 A N 0.853 123.630 122.820 -0.071 0.000 1.883 563 A HA -0.240 4.080 4.320 0.001 0.000 0.217 563 A C 2.545 180.017 177.584 -0.186 0.000 1.186 563 A CA 2.136 54.135 52.037 -0.064 0.000 0.624 563 A CB -0.946 18.023 19.000 -0.052 0.000 0.822 563 A HN 0.451 nan 8.150 nan 0.000 0.444 564 A N -0.675 121.944 122.820 -0.334 0.000 1.902 564 A HA -0.045 4.276 4.320 0.001 0.000 0.217 564 A C 2.149 179.246 177.584 -0.813 0.000 1.181 564 A CA 1.791 53.455 52.037 -0.622 0.000 0.623 564 A CB -0.636 17.811 19.000 -0.921 0.000 0.818 564 A HN 0.722 nan 8.150 nan 0.000 0.443 565 L N -0.074 120.730 121.223 -0.697 0.000 2.017 565 L HA -0.150 4.190 4.340 0.001 0.000 0.208 565 L C 2.485 179.256 176.870 -0.165 0.000 1.073 565 L CA 1.963 56.597 54.840 -0.344 0.000 0.745 565 L CB -0.575 41.442 42.059 -0.070 0.000 0.894 565 L HN 0.339 nan 8.230 nan 0.000 0.432 566 R N -0.712 119.708 120.500 -0.132 0.000 2.073 566 R HA -0.156 4.185 4.340 0.001 0.000 0.234 566 R C 2.227 178.477 176.300 -0.082 0.000 1.134 566 R CA 1.287 57.337 56.100 -0.083 0.000 0.952 566 R CB -0.590 29.677 30.300 -0.055 0.000 0.850 566 R HN 0.395 nan 8.270 nan 0.000 0.433 567 E N 0.812 120.949 120.200 -0.105 0.000 2.085 567 E HA -0.188 4.162 4.350 0.001 0.000 0.194 567 E C 1.940 178.499 176.600 -0.067 0.000 0.994 567 E CA 1.496 57.846 56.400 -0.083 0.000 0.801 567 E CB -0.167 29.473 29.700 -0.100 0.000 0.743 567 E HN 0.163 nan 8.360 nan 0.000 0.453 568 S N -0.075 115.575 115.700 -0.083 0.000 2.356 568 S HA -0.120 4.350 4.470 0.001 0.000 0.223 568 S C 2.191 176.789 174.600 -0.003 0.000 1.032 568 S CA 1.257 59.455 58.200 -0.002 0.000 1.005 568 S CB -0.249 63.012 63.200 0.102 0.000 0.867 568 S HN 0.277 nan 8.310 nan 0.000 0.449 569 I N 1.060 121.616 120.570 -0.024 0.000 2.252 569 I HA -0.135 4.035 4.170 0.001 0.000 0.245 569 I C 2.995 179.096 176.117 -0.026 0.000 1.102 569 I CA 1.031 62.312 61.300 -0.032 0.000 1.385 569 I CB -0.447 37.522 38.000 -0.051 0.000 1.064 569 I HN 0.327 nan 8.210 nan 0.000 0.414 570 Q N 0.652 120.433 119.800 -0.032 0.000 2.096 570 Q HA -0.246 4.095 4.340 0.001 0.000 0.204 570 Q C 2.123 178.102 176.000 -0.034 0.000 0.982 570 Q CA 1.704 57.486 55.803 -0.034 0.000 0.850 570 Q CB -0.229 28.486 28.738 -0.040 0.000 0.901 570 Q HN 0.615 nan 8.270 nan 0.000 0.422 571 Q N -1.064 118.718 119.800 -0.030 0.000 2.378 571 Q HA -0.016 4.325 4.340 0.001 0.000 0.205 571 Q C 1.609 177.593 176.000 -0.026 0.000 0.954 571 Q CA 0.964 56.750 55.803 -0.028 0.000 0.901 571 Q CB 0.360 29.085 28.738 -0.021 0.000 0.981 571 Q HN 0.313 nan 8.270 nan 0.000 0.483 572 T N 0.505 115.042 114.554 -0.028 0.000 2.978 572 T HA 0.053 4.403 4.350 0.001 0.000 0.262 572 T C 1.710 176.384 174.700 -0.044 0.000 1.063 572 T CA 0.618 62.690 62.100 -0.047 0.000 1.140 572 T CB 0.185 69.014 68.868 -0.065 0.000 0.886 572 T HN 0.154 nan 8.240 nan 0.000 0.470 573 L N 0.202 121.426 121.223 0.001 0.000 2.286 573 L HA 0.260 4.600 4.340 0.001 0.000 0.203 573 L C 0.305 177.252 176.870 0.128 0.000 1.068 573 L CA 0.199 55.101 54.840 0.103 0.000 0.811 573 L CB 0.220 42.404 42.059 0.207 0.000 0.989 573 L HN 0.016 nan 8.230 nan 0.000 0.467 574 V N 0.387 120.289 119.914 -0.019 0.000 2.427 574 V HA 0.166 4.286 4.120 0.001 0.000 0.286 574 V C 0.678 176.704 176.094 -0.114 0.000 1.034 574 V CA -0.448 61.758 62.300 -0.156 0.000 0.893 574 V CB 1.773 33.440 31.823 -0.260 0.000 0.982 574 V HN 0.190 nan 8.190 nan 0.000 0.452 575 E N 2.485 122.609 120.200 -0.126 0.000 2.038 575 E HA 0.095 4.445 4.350 0.001 0.000 0.190 575 E C 0.633 177.169 176.600 -0.107 0.000 0.967 575 E CA 1.077 57.426 56.400 -0.084 0.000 0.816 575 E CB 0.463 30.128 29.700 -0.059 0.000 0.784 575 E HN 0.770 nan 8.360 nan 0.000 0.456 576 S N -0.095 115.515 115.700 -0.151 0.000 2.596 576 S HA 0.550 5.020 4.470 0.001 0.000 0.270 576 S C -0.691 173.782 174.600 -0.212 0.000 1.155 576 S CA -0.649 57.464 58.200 -0.144 0.000 0.827 576 S CB 2.175 65.317 63.200 -0.096 0.000 1.130 576 S HN 0.159 nan 8.310 nan 0.000 0.467 577 S N 0.151 115.739 115.700 -0.186 0.000 2.570 577 S HA 0.805 5.276 4.470 0.001 0.000 0.270 577 S C -1.547 172.950 174.600 -0.173 0.000 1.149 577 S CA -0.835 57.221 58.200 -0.240 0.000 0.837 577 S CB 1.565 64.581 63.200 -0.307 0.000 1.124 577 S HN 1.295 nan 8.310 nan 0.000 0.465 578 Q N 0.122 119.794 119.800 -0.214 0.000 2.435 578 Q HA 0.599 4.939 4.340 0.001 0.000 0.282 578 Q C -2.130 173.749 176.000 -0.203 0.000 1.020 578 Q CA -0.921 54.811 55.803 -0.117 0.000 0.820 578 Q CB 1.084 29.792 28.738 -0.049 0.000 1.436 578 Q HN 0.716 nan 8.270 nan 0.000 0.395 579 W N 1.076 122.352 121.300 -0.040 0.000 2.417 579 W HA 0.634 5.295 4.660 0.001 0.000 0.317 579 W C -0.871 175.634 176.519 -0.024 0.000 1.121 579 W CA -0.365 56.960 57.345 -0.034 0.000 1.208 579 W CB 1.925 31.365 29.460 -0.033 0.000 1.253 579 W HN 0.390 nan 8.180 nan 0.000 0.533 580 V N 3.619 123.648 119.914 0.192 0.000 2.567 580 V HA 0.484 4.604 4.120 0.001 0.000 0.298 580 V C 0.240 176.409 176.094 0.126 0.000 1.047 580 V CA -1.009 61.362 62.300 0.118 0.000 0.880 580 V CB 1.282 33.132 31.823 0.045 0.000 1.009 580 V HN 0.831 nan 8.190 nan 0.000 0.429 581 A N 3.942 126.828 122.820 0.110 0.000 2.704 581 A HA 0.037 4.357 4.320 0.001 0.000 0.299 581 A C 1.893 179.550 177.584 0.121 0.000 1.507 581 A CA 1.740 53.831 52.037 0.089 0.000 0.776 581 A CB -1.448 17.587 19.000 0.059 0.000 1.027 581 A HN 2.724 nan 8.150 nan 0.000 0.475 582 G N -3.381 105.535 108.800 0.194 0.000 2.268 582 G HA2 0.302 4.263 3.960 0.001 0.000 0.240 582 G HA3 0.302 4.263 3.960 0.001 0.000 0.240 582 G C 0.509 175.658 174.900 0.415 0.000 1.010 582 G CA 1.488 46.736 45.100 0.247 0.000 0.618 582 G HN 2.513 nan 8.290 nan 0.000 0.516 583 E N 0.787 121.138 120.200 0.252 0.000 2.214 583 E HA 0.762 5.113 4.350 0.001 0.000 0.274 583 E C -0.026 176.443 176.600 -0.219 0.000 0.977 583 E CA -0.261 56.179 56.400 0.066 0.000 0.827 583 E CB 0.694 30.404 29.700 0.017 0.000 1.130 583 E HN 0.544 nan 8.360 nan 0.000 0.394 584 Q N 1.080 120.497 119.800 -0.638 0.000 2.274 584 Q HA 0.205 4.545 4.340 0.001 0.000 0.256 584 Q C -0.898 174.827 176.000 -0.458 0.000 0.927 584 Q CA -0.601 54.631 55.803 -0.952 0.000 0.939 584 Q CB 1.035 29.015 28.738 -1.263 0.000 1.201 584 Q HN 0.498 nan 8.270 nan 0.000 0.426 585 Q N 2.654 122.231 119.800 -0.371 0.000 2.368 585 Q HA 0.360 4.700 4.340 0.001 0.000 0.256 585 Q C -0.870 174.970 176.000 -0.267 0.000 0.980 585 Q CA -0.316 55.355 55.803 -0.221 0.000 0.887 585 Q CB 1.642 30.298 28.738 -0.137 0.000 1.221 585 Q HN 0.392 nan 8.270 nan 0.000 0.458 586 V N 2.629 122.377 119.914 -0.278 0.000 2.630 586 V HA 0.445 4.566 4.120 0.001 0.000 0.305 586 V C 0.012 175.847 176.094 -0.432 0.000 1.046 586 V CA -0.753 61.261 62.300 -0.477 0.000 0.934 586 V CB 2.012 33.321 31.823 -0.858 0.000 1.003 586 V HN 0.534 nan 8.190 nan 0.000 0.451 587 K N 3.215 123.336 120.400 -0.465 0.000 2.394 587 K HA 0.408 4.729 4.320 0.001 0.000 0.260 587 K C -1.546 174.858 176.600 -0.328 0.000 0.967 587 K CA -0.345 55.789 56.287 -0.254 0.000 0.855 587 K CB 1.521 33.944 32.500 -0.129 0.000 1.101 587 K HN 0.580 nan 8.250 nan 0.000 0.433 588 W N 2.336 123.619 121.300 -0.028 0.000 2.375 588 W HA 0.346 5.006 4.660 0.001 0.000 0.336 588 W C 1.244 177.739 176.519 -0.040 0.000 1.160 588 W CA -0.604 56.718 57.345 -0.039 0.000 1.266 588 W CB 0.772 30.213 29.460 -0.032 0.000 1.195 588 W HN 0.496 nan 8.180 nan 0.000 0.599 589 K N 0.407 120.921 120.400 0.190 0.000 2.168 589 K HA 0.165 4.485 4.320 0.001 0.000 0.201 589 K C 0.600 177.233 176.600 0.055 0.000 1.049 589 K CA 0.713 57.046 56.287 0.076 0.000 0.974 589 K CB 0.387 32.898 32.500 0.017 0.000 0.792 589 K HN 0.265 nan 8.250 nan 0.000 0.463 590 R N 0.030 120.563 120.500 0.054 0.000 2.626 590 R HA 0.268 4.608 4.340 0.001 0.000 0.274 590 R C -0.701 175.529 176.300 -0.118 0.000 1.031 590 R CA -0.442 55.584 56.100 -0.123 0.000 0.898 590 R CB 1.433 31.500 30.300 -0.389 0.000 1.222 590 R HN -0.046 nan 8.270 nan 0.000 0.455 591 R N 2.866 123.241 120.500 -0.209 0.000 2.515 591 R HA 0.176 4.516 4.340 0.001 0.000 0.294 591 R C -0.666 175.509 176.300 -0.208 0.000 1.021 591 R CA 0.138 55.967 56.100 -0.451 0.000 1.081 591 R CB 0.543 30.549 30.300 -0.491 0.000 1.263 591 R HN 0.469 nan 8.270 nan 0.000 0.557 592 W N -0.267 120.916 121.300 -0.195 0.000 3.296 592 W HA 0.453 5.114 4.660 0.001 0.000 0.314 592 W C -1.711 174.755 176.519 -0.088 0.000 1.238 592 W CA -1.018 56.240 57.345 -0.143 0.000 1.193 592 W CB 0.614 30.023 29.460 -0.084 0.000 1.383 592 W HN -0.356 nan 8.180 nan 0.000 0.545 593 I N 2.805 123.527 120.570 0.253 0.000 2.607 593 I HA 0.326 4.497 4.170 0.001 0.000 0.305 593 I C 0.267 176.614 176.117 0.383 0.000 0.995 593 I CA -1.085 60.308 61.300 0.154 0.000 1.148 593 I CB 1.922 39.942 38.000 0.033 0.000 1.323 593 I HN 0.415 nan 8.210 nan 0.000 0.461 594 K N 2.516 123.101 120.400 0.309 0.000 2.205 594 K HA 0.478 4.799 4.320 0.001 0.000 0.279 594 K C -0.016 176.685 176.600 0.168 0.000 1.027 594 K CA -0.272 56.207 56.287 0.320 0.000 0.932 594 K CB 1.291 33.971 32.500 0.299 0.000 1.032 594 K HN 0.865 nan 8.250 nan 0.000 0.466 595 G N 2.611 111.486 108.800 0.124 0.000 2.502 595 G HA2 0.204 4.164 3.960 0.001 0.000 0.305 595 G HA3 0.204 4.164 3.960 0.001 0.000 0.305 595 G C 1.071 175.953 174.900 -0.030 0.000 1.190 595 G CA -0.705 44.434 45.100 0.065 0.000 0.933 595 G HN 0.706 nan 8.290 nan 0.000 0.503 596 L N -0.054 121.082 121.223 -0.146 0.000 2.089 596 L HA -0.123 4.217 4.340 0.001 0.000 0.213 596 L C 1.919 178.390 176.870 -0.665 0.000 1.079 596 L CA 1.797 56.327 54.840 -0.517 0.000 0.758 596 L CB -0.237 41.255 42.059 -0.946 0.000 0.891 596 L HN 0.673 nan 8.230 nan 0.000 0.433 597 D N -1.157 119.032 120.400 -0.351 0.000 2.427 597 D HA 0.144 4.784 4.640 0.001 0.000 0.224 597 D C 1.289 177.595 176.300 0.011 0.000 1.157 597 D CA 0.486 54.459 54.000 -0.046 0.000 0.828 597 D CB 0.403 41.326 40.800 0.205 0.000 0.974 597 D HN 0.282 nan 8.370 nan 0.000 0.498 598 G N 1.316 110.095 108.800 -0.034 0.000 2.253 598 G HA2 -0.343 3.618 3.960 0.001 0.000 0.251 598 G HA3 -0.343 3.618 3.960 0.001 0.000 0.251 598 G C 0.513 175.396 174.900 -0.028 0.000 0.998 598 G CA 0.200 45.272 45.100 -0.047 0.000 0.621 598 G HN 0.728 nan 8.290 nan 0.000 0.524 599 R N 1.016 121.541 120.500 0.043 0.000 2.738 599 R HA 0.427 4.767 4.340 0.001 0.000 0.268 599 R C -0.341 175.981 176.300 0.038 0.000 1.062 599 R CA 0.007 56.175 56.100 0.113 0.000 1.158 599 R CB 0.483 30.920 30.300 0.228 0.000 1.046 599 R HN 0.249 nan 8.270 nan 0.000 0.493 600 K N 1.590 121.930 120.400 -0.100 0.000 2.276 600 K HA 0.229 4.549 4.320 0.001 0.000 0.285 600 K C -0.833 175.754 176.600 -0.021 0.000 1.062 600 K CA -0.572 55.513 56.287 -0.337 0.000 0.918 600 K CB 1.745 33.664 32.500 -0.967 0.000 1.055 600 K HN 0.321 nan 8.250 nan 0.000 0.477 601 V N 3.897 123.885 119.914 0.123 0.000 2.294 601 V HA 0.035 4.156 4.120 0.001 0.000 0.272 601 V C -0.074 176.113 176.094 0.154 0.000 1.027 601 V CA -0.868 61.507 62.300 0.126 0.000 0.823 601 V CB 0.219 32.105 31.823 0.106 0.000 1.030 601 V HN 0.720 nan 8.190 nan 0.000 0.457 602 H N 4.190 123.286 119.070 0.044 0.000 3.064 602 H HA 0.232 4.789 4.556 0.001 0.000 0.329 602 H C -0.452 174.857 175.328 -0.033 0.000 1.020 602 H CA 0.480 56.534 56.048 0.010 0.000 1.402 602 H CB 0.804 30.552 29.762 -0.023 0.000 1.379 602 H HN 0.412 nan 8.280 nan 0.000 0.594 603 V N 7.581 127.071 119.914 -0.707 0.000 2.398 603 V HA 0.239 4.359 4.120 0.001 0.000 0.286 603 V C 1.164 176.834 176.094 -0.707 0.000 1.026 603 V CA -0.519 61.468 62.300 -0.521 0.000 0.868 603 V CB 1.539 33.157 31.823 -0.341 0.000 0.982 603 V HN 0.890 nan 8.190 nan 0.000 0.443 604 R N 1.770 122.108 120.500 -0.270 0.000 2.090 604 R HA 0.185 4.526 4.340 0.001 0.000 0.219 604 R C 0.744 177.139 176.300 0.158 0.000 1.100 604 R CA 0.696 56.755 56.100 -0.068 0.000 0.991 604 R CB 0.276 30.607 30.300 0.050 0.000 0.893 604 R HN 0.627 nan 8.270 nan 0.000 0.443 605 S N -1.264 114.556 115.700 0.201 0.000 2.546 605 S HA 0.317 4.787 4.470 0.001 0.000 0.274 605 S C -2.344 172.412 174.600 0.260 0.000 1.121 605 S CA -1.806 56.590 58.200 0.327 0.000 0.887 605 S CB 1.853 65.244 63.200 0.319 0.000 1.094 605 S HN -0.226 nan 8.310 nan 0.000 0.474 606 P HA -0.138 nan 4.420 nan 0.000 0.215 606 P C 1.347 178.688 177.300 0.068 0.000 1.157 606 P CA 1.264 64.411 63.100 0.080 0.000 0.868 606 P CB -0.185 31.470 31.700 -0.076 0.000 0.788 607 H N -0.644 118.428 119.070 0.002 0.000 2.489 607 H HA 0.127 4.683 4.556 0.001 0.000 0.293 607 H C 1.146 176.474 175.328 0.001 0.000 1.066 607 H CA 1.570 57.620 56.048 0.003 0.000 1.305 607 H CB -0.794 28.992 29.762 0.039 0.000 1.386 607 H HN 0.045 nan 8.280 nan 0.000 0.551 608 A N 0.552 122.981 122.820 -0.651 0.000 2.387 608 A HA 0.604 4.924 4.320 0.001 0.000 0.234 608 A C 2.376 179.835 177.584 -0.209 0.000 1.253 608 A CA 0.400 52.144 52.037 -0.488 0.000 0.894 608 A CB -0.314 18.362 19.000 -0.539 0.000 0.963 608 A HN 0.538 nan 8.150 nan 0.000 0.508 609 A N 0.065 122.815 122.820 -0.117 0.000 1.902 609 A HA -0.062 4.258 4.320 0.001 0.000 0.217 609 A C 1.966 179.499 177.584 -0.086 0.000 1.181 609 A CA 1.715 53.711 52.037 -0.069 0.000 0.623 609 A CB -0.496 18.494 19.000 -0.017 0.000 0.818 609 A HN 0.694 nan 8.150 nan 0.000 0.443 610 L N 1.006 122.183 121.223 -0.076 0.000 2.083 610 L HA -0.179 4.162 4.340 0.001 0.000 0.209 610 L C 2.095 178.959 176.870 -0.011 0.000 1.083 610 L CA 2.429 57.239 54.840 -0.049 0.000 0.752 610 L CB -0.840 41.204 42.059 -0.025 0.000 0.899 610 L HN 0.597 nan 8.230 nan 0.000 0.433 611 N N -1.399 117.276 118.700 -0.042 0.000 2.188 611 N HA -0.188 4.553 4.740 0.001 0.000 0.184 611 N C 1.511 176.905 175.510 -0.195 0.000 1.018 611 N CA 1.825 54.749 53.050 -0.210 0.000 0.858 611 N CB 0.043 38.225 38.487 -0.508 0.000 0.989 611 N HN 0.426 nan 8.380 nan 0.000 0.426 612 T N 1.762 116.229 114.554 -0.144 0.000 2.720 612 T HA -0.141 4.210 4.350 0.001 0.000 0.268 612 T C 1.919 176.582 174.700 -0.061 0.000 1.037 612 T CA 0.965 63.005 62.100 -0.100 0.000 1.144 612 T CB -0.295 68.521 68.868 -0.086 0.000 0.864 612 T HN 0.163 nan 8.240 nan 0.000 0.444 613 L N 0.741 121.914 121.223 -0.083 0.000 2.046 613 L HA 0.050 4.390 4.340 0.001 0.000 0.208 613 L C 2.096 178.962 176.870 -0.007 0.000 1.077 613 L CA 1.624 56.390 54.840 -0.123 0.000 0.747 613 L CB -0.516 41.359 42.059 -0.307 0.000 0.896 613 L HN 0.257 nan 8.230 nan 0.000 0.432 614 L N -1.279 119.983 121.223 0.065 0.000 2.131 614 L HA -0.123 4.217 4.340 0.001 0.000 0.206 614 L C 2.577 179.557 176.870 0.184 0.000 1.087 614 L CA 1.175 56.149 54.840 0.224 0.000 0.767 614 L CB -0.631 41.614 42.059 0.310 0.000 0.917 614 L HN 0.415 nan 8.230 nan 0.000 0.441 615 Q N -0.328 119.508 119.800 0.059 0.000 2.167 615 Q HA -0.197 4.143 4.340 0.001 0.000 0.202 615 Q C 2.395 178.451 176.000 0.093 0.000 0.970 615 Q CA 1.645 57.467 55.803 0.032 0.000 0.855 615 Q CB 0.102 28.787 28.738 -0.089 0.000 0.911 615 Q HN 0.342 nan 8.270 nan 0.000 0.438 616 S N -0.570 115.184 115.700 0.091 0.000 2.368 616 S HA -0.096 4.374 4.470 0.001 0.000 0.224 616 S C 1.852 176.555 174.600 0.172 0.000 1.029 616 S CA 1.056 59.327 58.200 0.118 0.000 0.988 616 S CB -0.202 63.051 63.200 0.088 0.000 0.838 616 S HN 0.532 nan 8.310 nan 0.000 0.462 617 A N 0.805 123.763 122.820 0.229 0.000 1.898 617 A HA 0.178 4.499 4.320 0.001 0.000 0.216 617 A C 2.333 180.062 177.584 0.241 0.000 1.181 617 A CA 1.650 53.857 52.037 0.283 0.000 0.620 617 A CB -1.571 17.734 19.000 0.507 0.000 0.819 617 A HN 0.600 nan 8.150 nan 0.000 0.442 618 G N -0.486 108.460 108.800 0.244 0.000 2.422 618 G HA2 0.013 3.974 3.960 0.001 0.000 0.218 618 G HA3 0.013 3.974 3.960 0.001 0.000 0.218 618 G C 1.695 176.755 174.900 0.267 0.000 1.146 618 G CA 1.423 46.658 45.100 0.224 0.000 0.769 618 G HN 0.765 nan 8.290 nan 0.000 0.547 619 A N 0.553 123.533 122.820 0.266 0.000 1.898 619 A HA 0.151 4.471 4.320 0.001 0.000 0.216 619 A C 2.400 180.206 177.584 0.371 0.000 1.181 619 A CA 1.150 53.391 52.037 0.340 0.000 0.620 619 A CB -0.330 18.831 19.000 0.269 0.000 0.819 619 A HN 0.343 nan 8.150 nan 0.000 0.442 620 L N -0.683 120.718 121.223 0.296 0.000 2.179 620 L HA -0.058 4.282 4.340 0.001 0.000 0.208 620 L C 2.404 179.546 176.870 0.453 0.000 1.096 620 L CA 0.714 55.752 54.840 0.330 0.000 0.779 620 L CB -0.523 41.653 42.059 0.196 0.000 0.922 620 L HN 0.352 nan 8.230 nan 0.000 0.443 621 I N -0.391 120.406 120.570 0.378 0.000 2.202 621 I HA -0.309 3.861 4.170 0.001 0.000 0.242 621 I C 2.567 178.871 176.117 0.312 0.000 1.091 621 I CA 1.156 62.662 61.300 0.343 0.000 1.368 621 I CB -0.297 37.750 38.000 0.079 0.000 1.058 621 I HN 0.377 nan 8.210 nan 0.000 0.410 622 C N 0.453 119.963 119.300 0.350 0.000 2.435 622 C HA -0.119 4.342 4.460 0.001 0.000 0.279 622 C C 2.749 177.868 174.990 0.216 0.000 1.321 622 C CA 0.612 59.905 59.018 0.459 0.000 1.752 622 C CB -0.897 27.231 27.740 0.646 0.000 1.959 622 C HN 0.407 nan 8.230 nan 0.000 0.500 623 K N 0.509 121.023 120.400 0.191 0.000 2.025 623 K HA -0.074 4.246 4.320 0.001 0.000 0.207 623 K C 2.025 178.613 176.600 -0.020 0.000 1.049 623 K CA 1.075 57.339 56.287 -0.037 0.000 0.933 623 K CB -0.289 32.303 32.500 0.155 0.000 0.714 623 K HN 0.429 nan 8.250 nan 0.000 0.438 624 L N -0.110 121.194 121.223 0.135 0.000 2.056 624 L HA -0.195 4.145 4.340 0.001 0.000 0.207 624 L C 2.212 179.107 176.870 0.042 0.000 1.078 624 L CA 1.214 56.089 54.840 0.060 0.000 0.749 624 L CB -0.309 41.739 42.059 -0.018 0.000 0.901 624 L HN 0.435 nan 8.230 nan 0.000 0.433 625 W N 1.705 122.956 121.300 -0.082 0.000 2.332 625 W HA -0.268 4.393 4.660 0.001 0.000 0.321 625 W C 2.371 178.804 176.519 -0.144 0.000 1.219 625 W CA 2.380 59.669 57.345 -0.094 0.000 1.277 625 W CB -0.565 28.862 29.460 -0.055 0.000 1.161 625 W HN 0.278 nan 8.180 nan 0.000 0.476 626 I N -1.271 119.018 120.570 -0.467 0.000 2.756 626 I HA -0.157 4.014 4.170 0.001 0.000 0.262 626 I C 1.988 177.906 176.117 -0.332 0.000 1.225 626 I CA 1.443 62.353 61.300 -0.650 0.000 1.472 626 I CB -0.705 36.867 38.000 -0.713 0.000 1.094 626 I HN 0.097 nan 8.210 nan 0.000 0.454 627 I N 1.298 121.704 120.570 -0.275 0.000 2.277 627 I HA -0.178 3.992 4.170 0.001 0.000 0.243 627 I C 2.564 178.514 176.117 -0.278 0.000 1.094 627 I CA 1.080 62.244 61.300 -0.228 0.000 1.393 627 I CB -0.216 37.676 38.000 -0.181 0.000 1.078 627 I HN 0.153 nan 8.210 nan 0.000 0.417 628 K N 0.891 121.107 120.400 -0.307 0.000 2.097 628 K HA -0.118 4.203 4.320 0.001 0.000 0.205 628 K C 1.961 178.342 176.600 -0.364 0.000 1.050 628 K CA 1.756 57.795 56.287 -0.415 0.000 0.938 628 K CB -0.479 31.744 32.500 -0.460 0.000 0.718 628 K HN 0.145 nan 8.250 nan 0.000 0.442 629 T N 0.889 115.237 114.554 -0.343 0.000 2.674 629 T HA -0.149 4.202 4.350 0.001 0.000 0.265 629 T C 1.553 176.071 174.700 -0.304 0.000 1.039 629 T CA 1.515 63.416 62.100 -0.333 0.000 1.150 629 T CB -0.278 68.315 68.868 -0.457 0.000 0.864 629 T HN 0.369 nan 8.240 nan 0.000 0.427 630 E N 0.771 120.811 120.200 -0.267 0.000 2.153 630 E HA -0.189 4.162 4.350 0.001 0.000 0.194 630 E C 2.172 178.626 176.600 -0.243 0.000 0.988 630 E CA 1.094 57.316 56.400 -0.296 0.000 0.811 630 E CB -0.059 29.397 29.700 -0.407 0.000 0.746 630 E HN 0.601 nan 8.360 nan 0.000 0.466 631 E N -0.265 119.775 120.200 -0.266 0.000 2.106 631 E HA -0.144 4.206 4.350 0.001 0.000 0.192 631 E C 2.170 178.616 176.600 -0.255 0.000 0.984 631 E CA 0.957 57.203 56.400 -0.258 0.000 0.806 631 E CB 0.051 29.562 29.700 -0.316 0.000 0.750 631 E HN 0.270 nan 8.360 nan 0.000 0.458 632 M N 0.101 119.528 119.600 -0.288 0.000 2.200 632 M HA -0.091 4.390 4.480 0.001 0.000 0.265 632 M C 2.194 178.354 176.300 -0.234 0.000 1.066 632 M CA 0.916 56.061 55.300 -0.258 0.000 1.127 632 M CB 0.009 32.452 32.600 -0.262 0.000 1.379 632 M HN 0.188 nan 8.290 nan 0.000 0.420 633 L N -0.678 120.374 121.223 -0.286 0.000 2.056 633 L HA -0.169 4.171 4.340 0.001 0.000 0.207 633 L C 2.391 179.147 176.870 -0.190 0.000 1.078 633 L CA 0.904 55.538 54.840 -0.343 0.000 0.749 633 L CB -0.581 41.061 42.059 -0.696 0.000 0.901 633 L HN 0.120 nan 8.230 nan 0.000 0.433 634 V N -0.102 119.745 119.914 -0.111 0.000 2.515 634 V HA -0.271 3.849 4.120 0.001 0.000 0.250 634 V C 2.388 178.437 176.094 -0.075 0.000 1.058 634 V CA 1.834 64.114 62.300 -0.034 0.000 1.064 634 V CB -0.369 31.432 31.823 -0.037 0.000 0.675 634 V HN 0.498 nan 8.190 nan 0.000 0.461 635 E N 0.068 120.199 120.200 -0.115 0.000 2.274 635 E HA -0.164 4.186 4.350 0.001 0.000 0.194 635 E C 1.918 178.460 176.600 -0.097 0.000 0.996 635 E CA 0.710 57.044 56.400 -0.111 0.000 0.840 635 E CB 0.059 29.677 29.700 -0.138 0.000 0.772 635 E HN 0.530 nan 8.360 nan 0.000 0.491 636 K N -1.027 119.308 120.400 -0.108 0.000 2.444 636 K HA 0.083 4.404 4.320 0.001 0.000 0.193 636 K C 0.906 177.462 176.600 -0.073 0.000 1.024 636 K CA 0.466 56.695 56.287 -0.096 0.000 1.077 636 K CB 0.679 33.108 32.500 -0.118 0.000 0.833 636 K HN 0.300 nan 8.250 nan 0.000 0.517 637 G N 1.071 109.835 108.800 -0.059 0.000 2.232 637 G HA2 -0.236 3.725 3.960 0.001 0.000 0.226 637 G HA3 -0.236 3.725 3.960 0.001 0.000 0.226 637 G C 0.095 174.990 174.900 -0.008 0.000 0.996 637 G CA -0.455 44.623 45.100 -0.036 0.000 0.626 637 G HN 0.124 nan 8.290 nan 0.000 0.509 638 L N 1.255 122.480 121.223 0.003 0.000 2.456 638 L HA 0.396 4.736 4.340 0.001 0.000 0.272 638 L C 0.867 177.858 176.870 0.202 0.000 1.189 638 L CA 0.024 54.920 54.840 0.094 0.000 0.846 638 L CB 0.834 42.923 42.059 0.050 0.000 1.111 638 L HN 0.211 nan 8.230 nan 0.000 0.475 639 K N 2.398 122.892 120.400 0.157 0.000 2.159 639 K HA 0.223 4.543 4.320 0.001 0.000 0.266 639 K C -0.712 175.769 176.600 -0.198 0.000 0.975 639 K CA -0.619 55.686 56.287 0.030 0.000 0.865 639 K CB 0.760 33.253 32.500 -0.010 0.000 1.087 639 K HN 0.597 nan 8.250 nan 0.000 0.446 640 H N 2.211 120.972 119.070 -0.514 0.000 2.652 640 H HA 0.419 4.975 4.556 0.001 0.000 0.298 640 H C -0.221 174.723 175.328 -0.640 0.000 1.076 640 H CA 0.105 55.546 56.048 -1.011 0.000 1.360 640 H CB 0.810 30.089 29.762 -0.805 0.000 1.421 640 H HN 0.917 nan 8.280 nan 0.000 0.464 641 G N 3.234 111.788 108.800 -0.410 0.000 2.347 641 G HA2 -0.165 3.795 3.960 0.001 0.000 0.321 641 G HA3 -0.165 3.795 3.960 0.001 0.000 0.321 641 G C -0.369 174.325 174.900 -0.343 0.000 1.412 641 G CA -0.704 44.143 45.100 -0.422 0.000 0.990 641 G HN 0.694 nan 8.290 nan 0.000 0.637 642 W N 0.086 121.253 121.300 -0.221 0.000 2.425 642 W HA 0.072 4.732 4.660 0.001 0.000 0.277 642 W C 2.268 178.783 176.519 -0.008 0.000 1.231 642 W CA 1.052 58.185 57.345 -0.353 0.000 1.248 642 W CB 0.253 29.406 29.460 -0.512 0.000 1.117 642 W HN 0.664 nan 8.180 nan 0.000 0.568 643 D N -0.888 119.633 120.400 0.202 0.000 2.324 643 D HA 0.085 4.725 4.640 0.001 0.000 0.235 643 D C 1.096 177.497 176.300 0.168 0.000 1.095 643 D CA 0.694 54.803 54.000 0.183 0.000 0.871 643 D CB -0.498 40.361 40.800 0.099 0.000 0.906 643 D HN 0.153 nan 8.370 nan 0.000 0.522 644 G N 0.044 108.965 108.800 0.201 0.000 3.356 644 G HA2 0.165 4.125 3.960 0.001 0.000 0.178 644 G HA3 0.165 4.125 3.960 0.001 0.000 0.178 644 G C 0.216 175.246 174.900 0.216 0.000 1.130 644 G CA -0.222 44.963 45.100 0.142 0.000 0.800 644 G HN -0.023 nan 8.290 nan 0.000 0.669 645 D N -0.832 119.643 120.400 0.125 0.000 2.431 645 D HA 0.194 4.834 4.640 0.001 0.000 0.227 645 D C 0.058 176.406 176.300 0.080 0.000 1.030 645 D CA 0.689 54.733 54.000 0.073 0.000 0.897 645 D CB 0.962 41.838 40.800 0.127 0.000 1.058 645 D HN 0.260 nan 8.370 nan 0.000 0.500 646 F N -0.176 119.794 119.950 0.032 0.000 2.668 646 F HA 0.727 5.255 4.527 0.001 0.000 0.309 646 F C -1.930 173.864 175.800 -0.010 0.000 1.117 646 F CA -1.825 56.200 58.000 0.041 0.000 0.951 646 F CB 1.479 40.403 39.000 -0.125 0.000 1.323 646 F HN -0.172 nan 8.300 nan 0.000 0.451 647 A N 1.821 124.554 122.820 -0.146 0.000 2.402 647 A HA 0.638 4.958 4.320 0.001 0.000 0.291 647 A C -2.182 175.302 177.584 -0.166 0.000 1.051 647 A CA -0.597 51.140 52.037 -0.500 0.000 0.716 647 A CB 0.503 18.611 19.000 -1.487 0.000 1.223 647 A HN 0.683 nan 8.150 nan 0.000 0.425 648 Y N 2.528 122.719 120.300 -0.181 0.000 2.544 648 Y HA 0.200 4.750 4.550 0.001 0.000 0.330 648 Y C 1.395 177.136 175.900 -0.264 0.000 1.136 648 Y CA 0.024 58.025 58.100 -0.165 0.000 1.417 648 Y CB 0.752 39.189 38.460 -0.037 0.000 1.229 648 Y HN 0.734 nan 8.280 nan 0.000 0.532 649 M N 1.938 121.352 119.600 -0.310 0.000 2.740 649 M HA 0.402 4.883 4.480 0.001 0.000 0.253 649 M C 0.255 176.295 176.300 -0.432 0.000 1.341 649 M CA 0.397 55.395 55.300 -0.504 0.000 1.176 649 M CB 0.693 32.642 32.600 -1.085 0.000 1.310 649 M HN 0.517 nan 8.290 nan 0.000 0.531 650 A N -0.113 122.456 122.820 -0.418 0.000 2.540 650 A HA 0.549 4.869 4.320 0.001 0.000 0.297 650 A C -2.564 174.992 177.584 -0.047 0.000 1.056 650 A CA -0.385 51.544 52.037 -0.181 0.000 0.700 650 A CB 0.974 19.837 19.000 -0.229 0.000 1.280 650 A HN 0.398 nan 8.150 nan 0.000 0.398 651 W N 2.957 124.204 121.300 -0.088 0.000 2.424 651 W HA 0.609 5.269 4.660 0.001 0.000 0.318 651 W C -1.849 174.676 176.519 0.010 0.000 1.016 651 W CA -1.028 56.286 57.345 -0.052 0.000 1.268 651 W CB 1.598 31.049 29.460 -0.016 0.000 1.297 651 W HN 0.465 nan 8.180 nan 0.000 0.428 652 V N 9.640 129.425 119.914 -0.214 0.000 2.266 652 V HA 0.261 4.381 4.120 0.001 0.000 0.266 652 V C 0.609 176.423 176.094 -0.467 0.000 1.036 652 V CA -0.262 61.720 62.300 -0.530 0.000 0.828 652 V CB -0.231 31.476 31.823 -0.193 0.000 1.081 652 V HN 0.823 nan 8.190 nan 0.000 0.449 653 H N 3.276 122.056 119.070 -0.484 0.000 1.453 653 H HA -0.266 4.290 4.556 0.001 0.000 0.090 653 H C 1.199 176.713 175.328 0.309 0.000 0.615 653 H CA 2.225 58.200 56.048 -0.121 0.000 1.901 653 H CB -1.173 28.558 29.762 -0.051 0.000 2.257 653 H HN 0.833 nan 8.280 nan 0.000 0.961 654 D N 3.064 123.701 120.400 0.395 0.000 2.319 654 D HA 0.222 4.863 4.640 0.001 0.000 0.230 654 D C 0.559 177.114 176.300 0.424 0.000 1.094 654 D CA 0.694 54.930 54.000 0.393 0.000 0.856 654 D CB 0.102 41.045 40.800 0.238 0.000 0.915 654 D HN 0.689 nan 8.370 nan 0.000 0.517 655 E N 0.516 120.974 120.200 0.431 0.000 2.367 655 E HA 0.534 4.885 4.350 0.001 0.000 0.273 655 E C -0.813 175.993 176.600 0.343 0.000 0.903 655 E CA -1.283 55.345 56.400 0.380 0.000 0.764 655 E CB 2.026 31.862 29.700 0.226 0.000 1.252 655 E HN 0.199 nan 8.360 nan 0.000 0.446 656 I N -1.201 119.466 120.570 0.162 0.000 2.828 656 I HA 0.525 4.695 4.170 0.001 0.000 0.302 656 I C -1.114 174.885 176.117 -0.197 0.000 1.101 656 I CA -1.112 60.133 61.300 -0.091 0.000 1.031 656 I CB 2.297 40.049 38.000 -0.412 0.000 1.231 656 I HN 0.364 nan 8.210 nan 0.000 0.427 657 Q N 4.210 123.797 119.800 -0.355 0.000 2.310 657 Q HA 0.579 4.920 4.340 0.001 0.000 0.270 657 Q C -1.242 174.489 176.000 -0.448 0.000 1.025 657 Q CA -0.680 54.871 55.803 -0.420 0.000 0.772 657 Q CB 3.095 31.412 28.738 -0.702 0.000 1.253 657 Q HN 0.650 nan 8.270 nan 0.000 0.450 658 V N 0.929 120.662 119.914 -0.303 0.000 2.487 658 V HA 0.634 4.754 4.120 0.001 0.000 0.298 658 V C 0.465 176.530 176.094 -0.048 0.000 1.028 658 V CA -0.971 61.207 62.300 -0.204 0.000 0.860 658 V CB 1.897 33.618 31.823 -0.170 0.000 0.991 658 V HN 0.805 nan 8.190 nan 0.000 0.427 659 G N 2.521 111.335 108.800 0.022 0.000 2.370 659 G HA2 0.457 4.418 3.960 0.001 0.000 0.272 659 G HA3 0.457 4.418 3.960 0.001 0.000 0.272 659 G C -0.448 174.740 174.900 0.480 0.000 1.208 659 G CA -0.107 45.181 45.100 0.313 0.000 0.856 659 G HN 0.793 nan 8.290 nan 0.000 0.500 660 C N 2.319 121.820 119.300 0.336 0.000 2.498 660 C HA 0.444 4.904 4.460 0.001 0.000 0.316 660 C C 1.674 176.180 174.990 -0.807 0.000 1.209 660 C CA -0.752 58.166 59.018 -0.166 0.000 1.518 660 C CB 1.764 29.441 27.740 -0.105 0.000 2.147 660 C HN 1.065 nan 8.230 nan 0.000 0.483 661 R N 1.143 120.715 120.500 -1.547 0.000 2.120 661 R HA -0.062 4.278 4.340 0.001 0.000 0.234 661 R C 0.811 176.682 176.300 -0.714 0.000 1.123 661 R CA 1.856 56.932 56.100 -1.706 0.000 0.975 661 R CB 0.144 29.824 30.300 -1.032 0.000 0.866 661 R HN 0.939 nan 8.270 nan 0.000 0.446 662 T N -4.646 109.653 114.554 -0.424 0.000 2.883 662 T HA 0.223 4.573 4.350 0.001 0.000 0.301 662 T C 0.339 174.950 174.700 -0.149 0.000 1.158 662 T CA -0.961 61.007 62.100 -0.221 0.000 1.007 662 T CB 1.779 70.549 68.868 -0.163 0.000 1.186 662 T HN 0.072 nan 8.240 nan 0.000 0.499 663 E N 0.235 120.381 120.200 -0.090 0.000 2.118 663 E HA -0.200 4.150 4.350 0.001 0.000 0.195 663 E C 1.610 178.170 176.600 -0.067 0.000 0.992 663 E CA 1.378 57.742 56.400 -0.060 0.000 0.804 663 E CB -0.046 29.632 29.700 -0.036 0.000 0.741 663 E HN 0.748 nan 8.360 nan 0.000 0.458 664 E N 0.766 120.922 120.200 -0.072 0.000 2.085 664 E HA -0.165 4.186 4.350 0.001 0.000 0.194 664 E C 1.833 178.381 176.600 -0.086 0.000 0.994 664 E CA 0.935 57.293 56.400 -0.069 0.000 0.801 664 E CB -0.063 29.598 29.700 -0.065 0.000 0.743 664 E HN 0.266 nan 8.360 nan 0.000 0.453 665 I N -0.257 120.247 120.570 -0.110 0.000 2.353 665 I HA -0.211 3.959 4.170 0.001 0.000 0.248 665 I C 2.256 178.298 176.117 -0.125 0.000 1.119 665 I CA 0.793 62.017 61.300 -0.126 0.000 1.417 665 I CB -0.304 37.606 38.000 -0.149 0.000 1.078 665 I HN 0.128 nan 8.210 nan 0.000 0.421 666 A N 0.383 123.140 122.820 -0.106 0.000 1.917 666 A HA -0.322 3.999 4.320 0.001 0.000 0.219 666 A C 2.242 179.781 177.584 -0.075 0.000 1.182 666 A CA 2.161 54.150 52.037 -0.081 0.000 0.633 666 A CB -0.639 18.331 19.000 -0.050 0.000 0.819 666 A HN 0.418 nan 8.150 nan 0.000 0.448 667 Q N -0.181 119.579 119.800 -0.067 0.000 2.124 667 Q HA -0.080 4.260 4.340 0.001 0.000 0.202 667 Q C 1.824 177.781 176.000 -0.071 0.000 0.977 667 Q CA 2.066 57.836 55.803 -0.055 0.000 0.850 667 Q CB -0.574 28.137 28.738 -0.045 0.000 0.901 667 Q HN 0.350 nan 8.270 nan 0.000 0.429 668 V N -0.708 119.148 119.914 -0.097 0.000 2.379 668 V HA -0.188 3.933 4.120 0.001 0.000 0.245 668 V C 2.246 178.249 176.094 -0.151 0.000 1.044 668 V CA 1.349 63.579 62.300 -0.118 0.000 1.036 668 V CB -0.456 31.287 31.823 -0.134 0.000 0.664 668 V HN 0.220 nan 8.190 nan 0.000 0.453 669 V N 0.134 119.937 119.914 -0.185 0.000 2.252 669 V HA -0.314 3.806 4.120 0.001 0.000 0.249 669 V C 2.212 178.222 176.094 -0.140 0.000 1.056 669 V CA 2.495 64.660 62.300 -0.226 0.000 1.022 669 V CB -0.512 31.176 31.823 -0.226 0.000 0.641 669 V HN 0.440 nan 8.190 nan 0.000 0.445 670 I N -0.194 120.326 120.570 -0.084 0.000 2.163 670 I HA -0.290 3.880 4.170 0.001 0.000 0.243 670 I C 2.555 178.667 176.117 -0.008 0.000 1.085 670 I CA 1.906 63.191 61.300 -0.025 0.000 1.347 670 I CB -0.452 37.544 38.000 -0.008 0.000 1.044 670 I HN 0.423 nan 8.210 nan 0.000 0.408 671 E N 0.112 120.293 120.200 -0.030 0.000 2.072 671 E HA -0.166 4.185 4.350 0.001 0.000 0.191 671 E C 2.124 178.712 176.600 -0.020 0.000 0.985 671 E CA 1.759 58.148 56.400 -0.019 0.000 0.801 671 E CB -0.194 29.486 29.700 -0.033 0.000 0.750 671 E HN 0.449 nan 8.360 nan 0.000 0.452 672 T N 1.046 115.562 114.554 -0.063 0.000 2.746 672 T HA -0.161 4.189 4.350 0.001 0.000 0.267 672 T C 2.040 176.725 174.700 -0.025 0.000 1.039 672 T CA 1.201 63.252 62.100 -0.082 0.000 1.142 672 T CB -0.251 68.516 68.868 -0.168 0.000 0.866 672 T HN 0.263 nan 8.240 nan 0.000 0.444 673 A N 1.260 124.083 122.820 0.006 0.000 1.940 673 A HA -0.184 4.137 4.320 0.001 0.000 0.219 673 A C 2.263 180.066 177.584 0.364 0.000 1.176 673 A CA 2.012 54.156 52.037 0.179 0.000 0.631 673 A CB -0.687 18.433 19.000 0.200 0.000 0.814 673 A HN 0.464 nan 8.150 nan 0.000 0.446 674 Q N 0.064 119.973 119.800 0.182 0.000 2.123 674 Q HA -0.127 4.213 4.340 0.001 0.000 0.199 674 Q C 1.773 177.836 176.000 0.104 0.000 0.966 674 Q CA 2.081 57.958 55.803 0.123 0.000 0.845 674 Q CB -0.343 28.433 28.738 0.064 0.000 0.907 674 Q HN 0.741 nan 8.270 nan 0.000 0.439 675 E N -0.435 119.815 120.200 0.082 0.000 2.110 675 E HA -0.150 4.201 4.350 0.001 0.000 0.193 675 E C 1.832 178.507 176.600 0.125 0.000 0.988 675 E CA 0.931 57.375 56.400 0.073 0.000 0.804 675 E CB -0.182 29.532 29.700 0.022 0.000 0.745 675 E HN 0.509 nan 8.360 nan 0.000 0.458 676 A N 0.826 123.730 122.820 0.140 0.000 1.930 676 A HA -0.167 4.153 4.320 0.001 0.000 0.217 676 A C 2.064 179.854 177.584 0.343 0.000 1.175 676 A CA 1.218 53.369 52.037 0.190 0.000 0.627 676 A CB -0.311 18.753 19.000 0.107 0.000 0.815 676 A HN 0.179 nan 8.150 nan 0.000 0.443 677 M N -0.455 119.317 119.600 0.286 0.000 2.229 677 M HA -0.034 4.447 4.480 0.001 0.000 0.264 677 M C 1.834 178.146 176.300 0.020 0.000 1.063 677 M CA 1.311 56.615 55.300 0.007 0.000 1.114 677 M CB -0.370 32.050 32.600 -0.300 0.000 1.387 677 M HN 0.238 nan 8.290 nan 0.000 0.420 678 R N -1.653 118.892 120.500 0.075 0.000 2.115 678 R HA -0.124 4.216 4.340 0.001 0.000 0.226 678 R C 2.019 178.374 176.300 0.092 0.000 1.100 678 R CA 1.325 57.460 56.100 0.058 0.000 0.980 678 R CB -1.414 28.923 30.300 0.062 0.000 0.875 678 R HN 0.638 nan 8.270 nan 0.000 0.445 679 W N 1.437 122.717 121.300 -0.033 0.000 2.355 679 W HA -0.202 4.458 4.660 0.001 0.000 0.309 679 W C 1.884 178.357 176.519 -0.077 0.000 1.206 679 W CA 1.367 58.682 57.345 -0.050 0.000 1.284 679 W CB -0.270 29.147 29.460 -0.072 0.000 1.145 679 W HN -0.219 nan 8.180 nan 0.000 0.502 680 V N 1.299 121.315 119.914 0.169 0.000 2.332 680 V HA -0.279 3.841 4.120 0.001 0.000 0.248 680 V C 2.430 178.400 176.094 -0.206 0.000 1.055 680 V CA 2.127 64.367 62.300 -0.100 0.000 1.038 680 V CB -1.807 30.023 31.823 0.011 0.000 0.651 680 V HN 0.459 nan 8.190 nan 0.000 0.450 681 G N -0.445 108.284 108.800 -0.118 0.000 2.422 681 G HA2 -0.312 3.648 3.960 0.001 0.000 0.218 681 G HA3 -0.312 3.648 3.960 0.001 0.000 0.218 681 G C 1.363 176.256 174.900 -0.011 0.000 1.146 681 G CA 1.115 46.181 45.100 -0.056 0.000 0.769 681 G HN 0.576 nan 8.290 nan 0.000 0.547 682 D N -0.320 120.006 120.400 -0.124 0.000 2.162 682 D HA -0.092 4.548 4.640 0.001 0.000 0.203 682 D C 2.021 178.180 176.300 -0.234 0.000 0.967 682 D CA 0.756 54.668 54.000 -0.146 0.000 0.840 682 D CB -0.424 40.267 40.800 -0.183 0.000 0.972 682 D HN 0.363 nan 8.370 nan 0.000 0.482 683 H N -0.929 117.774 119.070 -0.611 0.000 2.321 683 H HA -0.145 4.411 4.556 0.001 0.000 0.295 683 H C 0.762 175.895 175.328 -0.326 0.000 1.102 683 H CA 2.010 57.608 56.048 -0.750 0.000 1.266 683 H CB -0.168 28.770 29.762 -1.375 0.000 1.363 683 H HN 0.216 nan 8.280 nan 0.000 0.492 684 W N 1.209 122.410 121.300 -0.166 0.000 3.194 684 W HA 0.294 4.955 4.660 0.001 0.000 0.408 684 W C 0.040 176.554 176.519 -0.009 0.000 1.072 684 W CA -0.379 56.909 57.345 -0.094 0.000 1.953 684 W CB -0.760 28.724 29.460 0.040 0.000 1.091 684 W HN 0.269 nan 8.180 nan 0.000 0.699 685 N N 0.669 119.451 118.700 0.137 0.000 2.714 685 N HA -0.270 4.470 4.740 0.001 0.000 0.252 685 N C -0.395 175.216 175.510 0.168 0.000 1.014 685 N CA 0.902 54.016 53.050 0.106 0.000 0.735 685 N CB -1.659 36.867 38.487 0.066 0.000 0.924 685 N HN 0.008 nan 8.380 nan 0.000 0.540 686 F N 1.072 121.019 119.950 -0.004 0.000 2.538 686 F HA 0.032 4.559 4.527 0.001 0.000 0.371 686 F C 2.025 177.880 175.800 0.092 0.000 1.087 686 F CA -0.056 57.900 58.000 -0.074 0.000 1.250 686 F CB 0.642 39.564 39.000 -0.131 0.000 1.110 686 F HN -0.034 nan 8.300 nan 0.000 0.570 687 R N 2.887 123.425 120.500 0.064 0.000 2.320 687 R HA 0.076 4.416 4.340 0.001 0.000 0.211 687 R C -0.337 175.997 176.300 0.056 0.000 0.931 687 R CA 0.188 56.311 56.100 0.037 0.000 1.071 687 R CB -0.627 29.625 30.300 -0.080 0.000 1.025 687 R HN 0.427 nan 8.270 nan 0.000 0.495 688 C N 0.885 120.265 119.300 0.133 0.000 2.547 688 C HA 0.452 4.913 4.460 0.001 0.000 0.313 688 C C -0.290 174.839 174.990 0.232 0.000 1.191 688 C CA -1.354 57.773 59.018 0.182 0.000 1.474 688 C CB 0.603 28.472 27.740 0.214 0.000 2.081 688 C HN 0.345 nan 8.230 nan 0.000 0.476 689 L N 5.790 127.094 121.223 0.136 0.000 2.455 689 L HA 0.429 4.769 4.340 0.001 0.000 0.272 689 L C -0.343 176.572 176.870 0.074 0.000 1.174 689 L CA 0.671 55.567 54.840 0.094 0.000 0.869 689 L CB 0.382 42.472 42.059 0.052 0.000 1.130 689 L HN 0.616 nan 8.230 nan 0.000 0.474 690 L N 4.686 125.927 121.223 0.031 0.000 2.343 690 L HA 0.539 4.879 4.340 0.001 0.000 0.275 690 L C -0.512 176.318 176.870 -0.067 0.000 1.056 690 L CA -0.621 54.194 54.840 -0.042 0.000 0.804 690 L CB 1.392 43.371 42.059 -0.133 0.000 1.203 690 L HN 0.610 nan 8.230 nan 0.000 0.440 691 D N -0.168 120.175 120.400 -0.095 0.000 2.579 691 D HA 0.592 5.232 4.640 0.001 0.000 0.257 691 D C -0.810 175.406 176.300 -0.140 0.000 1.176 691 D CA -0.174 53.773 54.000 -0.087 0.000 0.914 691 D CB 2.620 43.399 40.800 -0.036 0.000 1.431 691 D HN 0.572 nan 8.370 nan 0.000 0.454 692 T N -2.638 111.864 114.554 -0.088 0.000 2.883 692 T HA 0.712 5.063 4.350 0.001 0.000 0.301 692 T C -0.926 173.785 174.700 0.019 0.000 1.158 692 T CA -0.808 61.253 62.100 -0.066 0.000 1.007 692 T CB 2.512 71.361 68.868 -0.031 0.000 1.186 692 T HN 0.242 nan 8.240 nan 0.000 0.499 693 E N -0.100 120.134 120.200 0.058 0.000 2.275 693 E HA 0.573 4.924 4.350 0.001 0.000 0.270 693 E C -0.632 176.029 176.600 0.102 0.000 0.882 693 E CA -1.226 55.217 56.400 0.071 0.000 0.758 693 E CB 2.287 32.027 29.700 0.067 0.000 1.195 693 E HN 0.958 nan 8.360 nan 0.000 0.419 694 G N 2.031 110.882 108.800 0.085 0.000 2.473 694 G HA2 0.680 4.641 3.960 0.001 0.000 0.321 694 G HA3 0.680 4.641 3.960 0.001 0.000 0.321 694 G C -0.946 173.999 174.900 0.075 0.000 1.200 694 G CA -0.559 44.593 45.100 0.087 0.000 0.963 694 G HN 0.268 nan 8.290 nan 0.000 0.483 695 K N 0.610 121.058 120.400 0.081 0.000 2.501 695 K HA 0.402 4.723 4.320 0.001 0.000 0.252 695 K C -0.786 175.853 176.600 0.066 0.000 0.934 695 K CA -0.626 55.706 56.287 0.076 0.000 0.797 695 K CB 2.976 35.537 32.500 0.102 0.000 1.270 695 K HN 0.509 nan 8.250 nan 0.000 0.431 696 M N 1.438 121.068 119.600 0.051 0.000 2.478 696 M HA 0.650 5.130 4.480 0.001 0.000 0.327 696 M C -0.411 175.924 176.300 0.059 0.000 1.187 696 M CA 0.170 55.496 55.300 0.043 0.000 1.022 696 M CB 1.548 34.161 32.600 0.023 0.000 1.629 696 M HN 0.861 nan 8.290 nan 0.000 0.461 697 G N 2.770 111.609 108.800 0.065 0.000 2.328 697 G HA2 0.312 4.273 3.960 0.001 0.000 0.295 697 G HA3 0.312 4.273 3.960 0.001 0.000 0.295 697 G C -3.143 171.806 174.900 0.082 0.000 1.413 697 G CA -0.736 44.409 45.100 0.075 0.000 0.817 697 G HN 0.418 nan 8.290 nan 0.000 0.546 698 P HA 0.053 nan 4.420 nan 0.000 0.227 698 P C 0.274 177.611 177.300 0.062 0.000 1.161 698 P CA 1.089 64.222 63.100 0.055 0.000 0.788 698 P CB 0.133 31.847 31.700 0.023 0.000 0.822 699 N N -3.611 115.163 118.700 0.124 0.000 3.277 699 N HA 0.035 4.775 4.740 0.001 0.000 0.278 699 N C -0.019 175.684 175.510 0.322 0.000 1.544 699 N CA -0.853 52.320 53.050 0.206 0.000 0.869 699 N CB -0.544 38.052 38.487 0.181 0.000 1.584 699 N HN -0.321 nan 8.380 nan 0.000 0.564 700 W N 0.269 121.698 121.300 0.216 0.000 2.465 700 W HA 0.249 4.909 4.660 0.001 0.000 0.268 700 W C 1.795 178.401 176.519 0.146 0.000 1.242 700 W CA 1.588 59.047 57.345 0.190 0.000 1.248 700 W CB -1.127 28.420 29.460 0.146 0.000 1.118 700 W HN 0.770 nan 8.180 nan 0.000 0.587 701 A N -0.341 122.692 122.820 0.356 0.000 1.969 701 A HA -0.127 4.194 4.320 0.001 0.000 0.218 701 A C 1.795 179.499 177.584 0.200 0.000 1.169 701 A CA 1.573 53.739 52.037 0.215 0.000 0.635 701 A CB -0.519 18.578 19.000 0.161 0.000 0.810 701 A HN 0.109 nan 8.150 nan 0.000 0.445 702 I N -0.681 120.014 120.570 0.208 0.000 2.585 702 I HA -0.050 4.120 4.170 0.001 0.000 0.254 702 I C 0.966 177.196 176.117 0.189 0.000 1.129 702 I CA 0.448 61.845 61.300 0.161 0.000 1.455 702 I CB -1.563 36.513 38.000 0.127 0.000 1.111 702 I HN 0.207 nan 8.210 nan 0.000 0.433 703 C N 2.060 121.514 119.300 0.257 0.000 3.093 703 C HA 0.362 4.823 4.460 0.001 0.000 0.515 703 C C 0.577 175.812 174.990 0.407 0.000 1.253 703 C CA 0.118 59.299 59.018 0.272 0.000 1.476 703 C CB -2.536 25.341 27.740 0.228 0.000 1.873 703 C HN 0.540 nan 8.230 nan 0.000 0.632 704 H N 0.000 119.183 119.070 0.188 0.000 2.539 704 H HA 0.000 4.556 4.556 0.001 0.000 0.296 704 H CA 0.000 56.140 56.048 0.153 0.000 1.023 704 H CB 0.000 29.875 29.762 0.189 0.000 1.292 704 H HN 0.000 nan 8.280 nan 0.000 0.496