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 3ixw_1_K DATA FIRST_RESID 1 DATA SEQUENCE TVADKQARLM PLFKHLTALT REKLPLDQRD ERLKGVGILP RGTLFSCFHA DATA SEQUENCE RHLAEATELY VALYGAKDFN DFIHLCEQAR QIVNEGMFVY AVSVAVLHRE DATA SEQUENCE DCKGITVPPI QEVFPDRFVP AETINRANKE ASNHPDQQSI VVEAEETGNI DATA SEQUENCE LDPEYKLSYF REDIGINAHH WHWHIVYPAT WNPTVMGKEK DRKGELFFYM DATA SEQUENCE HQQMCARYDS ERLSNGLQRM IPFHNFDEPL EGYAPHLTSL VSGLQYASRP DATA SEQUENCE EGYSIHDLSD VDVQDMVRWR ERILDAINMH YIVDKDNNKI PLDIEHGTDI DATA SEQUENCE LGDIIESSDE SKNVEYYGSL HNWGHVMMAN ITDPDHRFQE NPGVMSDTST DATA SEQUENCE SLRDPIFYRW HRFIDNIFQE HKKSFHPYTK EELSFPGVEV VGVSINSKTA DATA SEQUENCE NVITTLIKES LLELSHGINF GTDQSVKVKY HHLDHEPFTY NIVVENNSGA DATA SEQUENCE EKHSTVRIFL APKYDELNNK LEPDEQRRLF IELDKFFYTL TPGKNTIVRN DATA SEQUENCE HQDSSVTISK VRTFDQLGAG EGVSEDSTEY CSCGWPEHML IPRGSHKGME DATA SEQUENCE FELFVMLTDH DEDTVAGLSE NAVCSDAVSY CGARDDRYPD KKAMGFPFDR DATA SEQUENCE KIEARTAAEF LTPNMGLTDI KIKFHG 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 T HA 0.000 nan 4.350 nan 0.000 0.228 1 T C 0.000 174.560 174.700 -0.234 0.000 1.109 1 T CA 0.000 62.056 62.100 -0.073 0.000 1.349 1 T CB 0.000 68.835 68.868 -0.055 0.000 0.612 2 V N 1.824 121.541 119.914 -0.328 0.000 2.759 2 V HA -0.143 nan 4.120 nan 0.000 0.256 2 V C 1.132 177.003 176.094 -0.371 0.000 1.080 2 V CA 2.453 64.449 62.300 -0.506 0.000 1.101 2 V CB -0.506 31.052 31.823 -0.442 0.000 0.698 2 V HN 0.554 8.600 8.190 -0.240 0.000 0.477 3 A N 0.111 122.798 122.820 -0.221 0.000 1.835 3 A HA -0.312 nan 4.320 nan 0.000 0.215 3 A C 0.504 178.018 177.584 -0.116 0.000 1.199 3 A CA 3.556 55.501 52.037 -0.153 0.000 0.615 3 A CB -0.834 18.107 19.000 -0.098 0.000 0.838 3 A HN -0.082 7.947 8.150 -0.188 0.008 0.444 4 D N -2.047 118.317 120.400 -0.061 0.000 2.309 4 D HA -0.268 nan 4.640 nan 0.000 0.212 4 D C 2.041 178.408 176.300 0.111 0.000 0.968 4 D CA 2.628 56.646 54.000 0.031 0.000 0.882 4 D CB -0.692 40.152 40.800 0.073 0.000 0.918 4 D HN 0.077 8.409 8.370 -0.062 0.000 0.503 5 K N 0.684 121.039 120.400 -0.074 0.000 1.988 5 K HA -0.503 nan 4.320 nan 0.000 0.221 5 K C 2.255 178.891 176.600 0.060 0.000 1.053 5 K CA 3.085 59.239 56.287 -0.221 0.000 0.959 5 K CB -0.241 31.443 32.500 -1.359 0.000 0.728 5 K HN -0.163 7.932 8.250 -0.219 0.023 0.447 6 Q N -2.278 117.454 119.800 -0.114 0.000 2.118 6 Q HA -0.377 nan 4.340 nan 0.000 0.211 6 Q C 2.512 178.540 176.000 0.048 0.000 0.998 6 Q CA 2.939 58.727 55.803 -0.025 0.000 0.872 6 Q CB -0.089 28.593 28.738 -0.093 0.000 0.925 6 Q HN -0.560 7.562 8.270 -0.247 0.000 0.414 7 A N -5.073 117.770 122.820 0.038 0.000 2.235 7 A HA -0.108 nan 4.320 nan 0.000 0.208 7 A C 0.423 178.055 177.584 0.080 0.000 1.172 7 A CA 1.231 53.298 52.037 0.049 0.000 0.786 7 A CB -0.613 18.406 19.000 0.031 0.000 0.804 7 A HN -0.169 7.905 8.150 0.006 0.080 0.479 8 R N -2.986 117.595 120.500 0.136 0.000 2.121 8 R HA 0.071 nan 4.340 nan 0.000 0.206 8 R C 1.918 178.208 176.300 -0.018 0.000 1.094 8 R CA 2.059 58.216 56.100 0.095 0.000 1.055 8 R CB 0.765 31.158 30.300 0.156 0.000 0.964 8 R HN -0.621 7.614 8.270 0.207 0.159 0.473 9 L N 0.211 121.438 121.223 0.007 0.000 1.976 9 L HA -0.354 nan 4.340 nan 0.000 0.209 9 L C 2.338 178.810 176.870 -0.664 0.000 1.071 9 L CA 3.814 58.464 54.840 -0.315 0.000 0.746 9 L CB -0.087 41.965 42.059 -0.012 0.000 0.890 9 L HN -0.592 7.750 8.230 0.187 0.000 0.432 10 M N -2.690 116.820 119.600 -0.149 0.000 2.117 10 M HA -0.284 nan 4.480 nan 0.000 0.262 10 M C -1.125 175.235 176.300 0.101 0.000 1.065 10 M CA 5.588 60.960 55.300 0.121 0.000 1.114 10 M CB -2.403 30.418 32.600 0.368 0.000 1.361 10 M HN -0.550 7.748 8.290 0.015 0.000 0.408 11 P HA -0.270 nan 4.420 nan 0.000 0.217 11 P C 0.260 177.555 177.300 -0.009 0.000 1.151 11 P CA 2.827 65.957 63.100 0.050 0.000 0.849 11 P CB -0.563 31.162 31.700 0.042 0.000 0.787 12 L N -5.782 115.354 121.223 -0.146 0.000 2.093 12 L HA -0.193 nan 4.340 nan 0.000 0.208 12 L C 1.598 178.491 176.870 0.038 0.000 1.085 12 L CA 1.894 56.661 54.840 -0.122 0.000 0.755 12 L CB -0.043 41.866 42.059 -0.250 0.000 0.904 12 L HN -0.704 7.266 8.230 -0.248 0.111 0.435 13 F N -4.311 115.696 119.950 0.096 0.000 2.802 13 F HA -0.165 nan 4.527 nan 0.000 0.300 13 F C 0.388 176.142 175.800 -0.075 0.000 1.168 13 F CA 0.442 58.466 58.000 0.040 0.000 1.433 13 F CB -0.135 38.912 39.000 0.079 0.000 1.115 13 F HN -0.646 7.324 8.300 -0.414 0.082 0.582 14 K N 0.214 120.657 120.400 0.071 0.000 2.336 14 K HA -0.160 nan 4.320 nan 0.000 0.290 14 K C -1.011 175.544 176.600 -0.075 0.000 1.067 14 K CA 1.021 57.239 56.287 -0.115 0.000 0.962 14 K CB -0.544 31.947 32.500 -0.015 0.000 1.008 14 K HN -0.315 7.814 8.250 0.093 0.177 0.467 15 H N -0.191 118.834 119.070 -0.075 0.000 2.748 15 H HA -0.397 nan 4.556 nan 0.000 0.322 15 H C 0.188 175.476 175.328 -0.066 0.000 1.208 15 H CA -0.009 55.978 56.048 -0.101 0.000 1.151 15 H CB -3.098 26.597 29.762 -0.110 0.000 1.505 15 H HN 0.631 8.604 8.280 -0.512 0.000 0.429 16 L N -0.567 120.642 121.223 -0.023 0.000 2.017 16 L HA -0.501 nan 4.340 nan 0.000 0.234 16 L C 1.047 177.961 176.870 0.073 0.000 1.097 16 L CA 3.534 58.406 54.840 0.053 0.000 0.816 16 L CB -0.488 41.562 42.059 -0.014 0.000 0.914 16 L HN -0.322 7.838 8.230 -0.117 0.000 0.444 17 T N -0.158 114.421 114.554 0.042 0.000 2.653 17 T HA -0.497 nan 4.350 nan 0.000 0.268 17 T C 1.851 176.591 174.700 0.067 0.000 1.035 17 T CA 4.443 66.606 62.100 0.104 0.000 1.154 17 T CB -1.041 67.905 68.868 0.130 0.000 0.862 17 T HN 0.189 8.405 8.240 -0.039 0.000 0.441 18 A N 0.614 123.459 122.820 0.041 0.000 2.234 18 A HA -0.171 nan 4.320 nan 0.000 0.216 18 A C 2.094 179.682 177.584 0.007 0.000 1.167 18 A CA 2.292 54.339 52.037 0.017 0.000 0.698 18 A CB -1.061 17.939 19.000 0.001 0.000 0.779 18 A HN 0.028 8.201 8.150 0.039 0.000 0.475 19 L N -4.456 116.777 121.223 0.017 0.000 2.591 19 L HA -0.086 nan 4.340 nan 0.000 0.228 19 L C 1.052 177.894 176.870 -0.047 0.000 1.133 19 L CA 0.597 55.432 54.840 -0.009 0.000 0.880 19 L CB -0.377 41.685 42.059 0.006 0.000 1.033 19 L HN -0.461 7.739 8.230 0.042 0.055 0.450 20 T N -1.207 113.328 114.554 -0.032 0.000 2.833 20 T HA -0.211 nan 4.350 nan 0.000 0.269 20 T C 0.207 174.869 174.700 -0.063 0.000 1.054 20 T CA 2.853 64.917 62.100 -0.060 0.000 1.135 20 T CB 0.009 68.865 68.868 -0.020 0.000 0.869 20 T HN -0.367 7.707 8.240 0.002 0.168 0.466 21 R N 0.246 120.722 120.500 -0.041 0.000 2.265 21 R HA 0.227 nan 4.340 nan 0.000 0.328 21 R C -1.005 175.269 176.300 -0.044 0.000 0.969 21 R CA -0.130 55.944 56.100 -0.042 0.000 0.832 21 R CB 1.109 31.392 30.300 -0.028 0.000 1.139 21 R HN -0.753 7.493 8.270 -0.028 0.007 0.457 22 E N 3.360 123.528 120.200 -0.052 0.000 2.435 22 E HA 0.194 nan 4.350 nan 0.000 0.272 22 E C -1.893 174.680 176.600 -0.045 0.000 1.031 22 E CA -1.840 54.531 56.400 -0.048 0.000 0.872 22 E CB 4.300 33.965 29.700 -0.058 0.000 1.588 22 E HN 0.093 8.417 8.360 -0.059 0.000 0.460 23 K N 0.234 120.611 120.400 -0.039 0.000 2.276 23 K HA 0.063 nan 4.320 nan 0.000 0.283 23 K C -1.259 175.320 176.600 -0.035 0.000 1.044 23 K CA 0.167 56.435 56.287 -0.032 0.000 0.944 23 K CB 0.429 32.914 32.500 -0.024 0.000 1.012 23 K HN 0.162 8.389 8.250 -0.037 0.000 0.472 24 L N 5.401 126.605 121.223 -0.032 0.000 2.722 24 L HA 0.259 nan 4.340 nan 0.000 0.244 24 L C -2.172 174.683 176.870 -0.025 0.000 1.023 24 L CA -0.876 53.946 54.840 -0.031 0.000 0.988 24 L CB 0.366 42.398 42.059 -0.046 0.000 1.245 24 L HN -0.079 8.133 8.230 -0.029 0.000 0.508 25 P HA 0.011 nan 4.420 nan 0.000 0.216 25 P C -1.200 176.092 177.300 -0.013 0.000 1.150 25 P CA 1.369 64.460 63.100 -0.014 0.000 0.837 25 P CB 0.372 32.066 31.700 -0.011 0.000 0.786 26 L N -0.765 120.451 121.223 -0.012 0.000 2.476 26 L HA 0.258 nan 4.340 nan 0.000 0.269 26 L C 0.398 177.260 176.870 -0.012 0.000 0.965 26 L CA -0.941 53.893 54.840 -0.010 0.000 0.845 26 L CB 2.410 44.465 42.059 -0.006 0.000 1.259 26 L HN -0.710 7.489 8.230 -0.013 0.023 0.403 27 D N 4.059 124.452 120.400 -0.013 0.000 2.203 27 D HA -0.442 nan 4.640 nan 0.000 0.199 27 D C 0.790 177.084 176.300 -0.010 0.000 0.997 27 D CA 3.012 57.004 54.000 -0.014 0.000 0.863 27 D CB -0.220 40.573 40.800 -0.011 0.000 0.928 27 D HN 0.627 8.990 8.370 -0.012 0.000 0.458 28 Q N -0.676 119.120 119.800 -0.005 0.000 2.242 28 Q HA -0.357 nan 4.340 nan 0.000 0.211 28 Q C 2.280 178.280 176.000 0.000 0.000 0.992 28 Q CA 2.479 58.281 55.803 -0.001 0.000 0.889 28 Q CB -1.159 27.579 28.738 -0.000 0.000 0.913 28 Q HN 0.253 8.485 8.270 -0.005 0.034 0.422 29 R N -0.934 119.565 120.500 -0.000 0.000 2.159 29 R HA -0.351 nan 4.340 nan 0.000 0.252 29 R C 1.491 177.793 176.300 0.003 0.000 1.144 29 R CA 2.005 58.107 56.100 0.004 0.000 0.961 29 R CB -0.303 29.998 30.300 0.002 0.000 0.877 29 R HN -0.596 7.648 8.270 -0.003 0.024 0.444 30 D N -1.738 118.659 120.400 -0.004 0.000 2.590 30 D HA 0.323 nan 4.640 nan 0.000 0.280 30 D C -0.287 176.013 176.300 0.001 0.000 1.197 30 D CA -0.585 53.412 54.000 -0.005 0.000 0.967 30 D CB -0.217 40.572 40.800 -0.017 0.000 0.987 30 D HN -0.188 8.161 8.370 -0.008 0.016 0.508 31 E N 1.833 122.035 120.200 0.005 0.000 2.197 31 E HA -0.541 nan 4.350 nan 0.000 0.205 31 E C 1.798 178.404 176.600 0.009 0.000 1.029 31 E CA 3.486 59.891 56.400 0.007 0.000 0.828 31 E CB -0.521 29.185 29.700 0.009 0.000 0.737 31 E HN -0.307 7.988 8.360 0.005 0.068 0.464 32 R N -1.694 118.812 120.500 0.011 0.000 2.143 32 R HA -0.306 nan 4.340 nan 0.000 0.239 32 R C 1.558 177.867 176.300 0.015 0.000 1.126 32 R CA 2.252 58.360 56.100 0.014 0.000 0.927 32 R CB -0.260 30.049 30.300 0.015 0.000 0.860 32 R HN 0.101 8.388 8.270 0.010 -0.011 0.433 33 L N -3.612 117.617 121.223 0.010 0.000 2.645 33 L HA 0.148 nan 4.340 nan 0.000 0.234 33 L C 0.395 177.270 176.870 0.008 0.000 1.165 33 L CA -0.898 53.949 54.840 0.011 0.000 0.944 33 L CB -0.939 41.124 42.059 0.007 0.000 1.149 33 L HN -0.116 8.019 8.230 0.005 0.098 0.446 34 K N 0.883 121.288 120.400 0.008 0.000 2.209 34 K HA -0.456 nan 4.320 nan 0.000 0.220 34 K C 1.020 177.626 176.600 0.010 0.000 1.002 34 K CA 2.889 59.181 56.287 0.008 0.000 0.947 34 K CB -1.453 31.053 32.500 0.011 0.000 0.891 34 K HN -0.623 7.548 8.250 0.008 0.084 0.476 35 G N -4.123 104.686 108.800 0.014 0.000 3.192 35 G HA2 0.081 nan 3.960 nan 0.000 0.239 35 G HA3 0.081 nan 3.960 nan 0.000 0.239 35 G C -1.693 173.219 174.900 0.020 0.000 1.084 35 G CA -0.653 44.458 45.100 0.018 0.000 0.784 35 G HN -0.108 8.144 8.290 0.015 0.047 0.540 36 V N 1.050 120.974 119.914 0.017 0.000 2.350 36 V HA 0.264 nan 4.120 nan 0.000 0.276 36 V C -1.170 174.927 176.094 0.004 0.000 1.028 36 V CA -0.660 61.650 62.300 0.016 0.000 0.860 36 V CB -0.261 31.571 31.823 0.015 0.000 0.990 36 V HN -0.466 7.732 8.190 0.013 0.000 0.453 37 G N 7.246 116.051 108.800 0.007 0.000 5.515 37 G HA2 0.127 nan 3.960 nan 0.000 0.198 37 G HA3 0.127 nan 3.960 nan 0.000 0.198 37 G C -1.014 173.890 174.900 0.008 0.000 0.858 37 G CA 0.973 46.070 45.100 -0.004 0.000 0.634 37 G HN 0.316 8.617 8.290 0.018 0.000 0.290 38 I N -4.119 116.466 120.570 0.025 0.000 3.816 38 I HA 0.278 nan 4.170 nan 0.000 0.334 38 I C -1.681 174.482 176.117 0.076 0.000 1.551 38 I CA -0.899 60.431 61.300 0.049 0.000 1.153 38 I CB -0.113 37.922 38.000 0.060 0.000 1.197 38 I HN -0.286 7.937 8.210 0.022 0.000 0.439 39 L N 1.968 123.221 121.223 0.050 0.000 2.580 39 L HA 0.484 nan 4.340 nan 0.000 0.266 39 L C -2.592 174.284 176.870 0.010 0.000 0.955 39 L CA -1.984 52.889 54.840 0.055 0.000 0.886 39 L CB 3.414 45.499 42.059 0.043 0.000 1.263 39 L HN -0.594 7.574 8.230 0.021 0.074 0.406 40 P HA 0.221 nan 4.420 nan 0.000 0.263 40 P C -1.226 176.069 177.300 -0.009 0.000 1.601 40 P CA -0.399 62.700 63.100 -0.001 0.000 1.161 40 P CB -1.133 30.571 31.700 0.007 0.000 1.730 41 R N 3.402 123.885 120.500 -0.028 0.000 3.853 41 R HA -0.393 nan 4.340 nan 0.000 0.440 41 R C 0.152 176.441 176.300 -0.020 0.000 0.241 41 R CA 1.563 57.644 56.100 -0.032 0.000 1.395 41 R CB -2.353 27.933 30.300 -0.024 0.000 0.984 41 R HN -0.250 7.997 8.270 -0.038 0.000 0.570 42 G N 0.986 109.784 108.800 -0.004 0.000 3.263 42 G HA2 -0.035 nan 3.960 nan 0.000 0.246 42 G HA3 -0.035 nan 3.960 nan 0.000 0.246 42 G C -0.923 173.985 174.900 0.014 0.000 0.982 42 G CA -0.401 44.704 45.100 0.008 0.000 1.897 42 G HN 0.330 8.619 8.290 -0.002 0.000 0.624 43 T N -0.654 113.911 114.554 0.018 0.000 2.794 43 T HA 0.122 nan 4.350 nan 0.000 0.304 43 T C 0.434 175.169 174.700 0.057 0.000 0.973 43 T CA -1.418 60.706 62.100 0.040 0.000 0.972 43 T CB 0.218 69.112 68.868 0.044 0.000 0.952 43 T HN -0.625 7.517 8.240 0.007 0.103 0.509 44 L N 3.120 124.380 121.223 0.063 0.000 2.462 44 L HA 0.069 nan 4.340 nan 0.000 0.272 44 L C 0.350 177.278 176.870 0.096 0.000 1.166 44 L CA 0.353 55.226 54.840 0.056 0.000 0.880 44 L CB 0.318 42.382 42.059 0.008 0.000 1.142 44 L HN -0.094 8.178 8.230 0.069 0.000 0.473 45 F N 6.966 126.850 119.950 -0.111 0.000 2.538 45 F HA -0.155 nan 4.527 nan 0.000 0.382 45 F C -0.588 175.181 175.800 -0.053 0.000 1.069 45 F CA 0.325 58.220 58.000 -0.175 0.000 1.138 45 F CB -0.221 38.674 39.000 -0.174 0.000 1.068 45 F HN 0.102 8.511 8.300 0.182 0.000 0.556 46 S N 8.363 124.015 115.700 -0.080 0.000 2.505 46 S HA 0.227 nan 4.470 nan 0.000 0.280 46 S C 0.815 175.291 174.600 -0.206 0.000 1.197 46 S CA -2.186 55.938 58.200 -0.127 0.000 1.138 46 S CB -0.194 63.010 63.200 0.006 0.000 1.010 46 S HN 0.331 8.734 8.310 0.155 0.000 0.480 47 C N 7.252 126.122 119.300 -0.716 0.000 2.393 47 C HA -0.297 nan 4.460 nan 0.000 0.276 47 C C 1.532 176.311 174.990 -0.351 0.000 1.215 47 C CA 2.931 61.456 59.018 -0.821 0.000 1.743 47 C CB -1.060 26.102 27.740 -0.963 0.000 2.044 47 C HN 0.776 8.545 8.230 -0.768 0.000 0.464 48 F N -4.886 114.939 119.950 -0.207 0.000 2.408 48 F HA -0.272 nan 4.527 nan 0.000 0.300 48 F C 0.362 176.012 175.800 -0.250 0.000 1.090 48 F CA 1.509 59.373 58.000 -0.226 0.000 1.427 48 F CB -0.455 38.431 39.000 -0.190 0.000 1.070 48 F HN -0.919 7.218 8.300 -0.271 0.000 0.549 49 H N 0.319 119.381 119.070 -0.013 0.000 2.975 49 H HA -0.080 nan 4.556 nan 0.000 0.303 49 H C 0.716 175.969 175.328 -0.125 0.000 1.023 49 H CA 0.060 56.074 56.048 -0.056 0.000 1.473 49 H CB 1.507 31.223 29.762 -0.075 0.000 1.498 49 H HN -0.526 7.670 8.280 0.128 0.161 0.549 50 A N 7.988 130.385 122.820 -0.705 0.000 1.927 50 A HA -0.439 nan 4.320 nan 0.000 0.220 50 A C 1.663 179.152 177.584 -0.159 0.000 1.185 50 A CA 3.480 55.274 52.037 -0.405 0.000 0.639 50 A CB -0.287 18.659 19.000 -0.090 0.000 0.820 50 A HN 0.860 8.462 8.150 -0.914 0.000 0.451 51 R N -3.380 117.049 120.500 -0.119 0.000 2.120 51 R HA -0.336 nan 4.340 nan 0.000 0.234 51 R C 2.213 178.549 176.300 0.060 0.000 1.123 51 R CA 2.979 59.075 56.100 -0.006 0.000 0.975 51 R CB -0.881 29.430 30.300 0.018 0.000 0.866 51 R HN 0.003 8.136 8.270 -0.227 0.000 0.446 52 H N -0.399 118.763 119.070 0.153 0.000 2.470 52 H HA -0.051 nan 4.556 nan 0.000 0.289 52 H C 2.796 178.202 175.328 0.130 0.000 1.033 52 H CA 1.842 58.008 56.048 0.196 0.000 1.331 52 H CB -0.410 29.548 29.762 0.327 0.000 1.414 52 H HN 0.300 8.530 8.280 -0.035 0.029 0.545 53 L N -0.646 120.656 121.223 0.132 0.000 2.072 53 L HA -0.317 nan 4.340 nan 0.000 0.205 53 L C 1.560 178.487 176.870 0.094 0.000 1.079 53 L CA 2.596 57.468 54.840 0.054 0.000 0.752 53 L CB -0.615 41.420 42.059 -0.039 0.000 0.906 53 L HN -0.657 7.617 8.230 0.074 0.000 0.436 54 A N -0.702 122.162 122.820 0.072 0.000 1.865 54 A HA -0.433 nan 4.320 nan 0.000 0.217 54 A C 2.100 179.736 177.584 0.087 0.000 1.191 54 A CA 3.290 55.374 52.037 0.077 0.000 0.623 54 A CB -1.118 17.921 19.000 0.064 0.000 0.826 54 A HN -0.448 7.729 8.150 0.045 0.000 0.444 55 E N -1.692 118.570 120.200 0.103 0.000 2.070 55 E HA -0.433 nan 4.350 nan 0.000 0.197 55 E C 2.488 179.102 176.600 0.023 0.000 1.004 55 E CA 2.984 59.435 56.400 0.085 0.000 0.805 55 E CB -0.133 29.653 29.700 0.143 0.000 0.744 55 E HN 0.315 8.642 8.360 0.127 0.109 0.451 56 A N -2.037 120.783 122.820 0.000 0.000 2.019 56 A HA -0.182 nan 4.320 nan 0.000 0.219 56 A C 2.111 179.593 177.584 -0.170 0.000 1.164 56 A CA 2.885 54.809 52.037 -0.187 0.000 0.644 56 A CB -0.686 18.155 19.000 -0.266 0.000 0.805 56 A HN -0.113 7.960 8.150 0.069 0.119 0.449 57 T N 0.432 115.081 114.554 0.158 0.000 3.023 57 T HA -0.173 nan 4.350 nan 0.000 0.266 57 T C 1.696 176.502 174.700 0.176 0.000 1.093 57 T CA 3.707 66.024 62.100 0.362 0.000 1.129 57 T CB -0.699 68.321 68.868 0.253 0.000 0.899 57 T HN -0.049 8.120 8.240 0.137 0.153 0.491 58 E N 2.649 122.898 120.200 0.083 0.000 2.049 58 E HA -0.339 nan 4.350 nan 0.000 0.198 58 E C 1.653 178.277 176.600 0.040 0.000 1.007 58 E CA 3.308 59.740 56.400 0.053 0.000 0.809 58 E CB -0.558 29.163 29.700 0.035 0.000 0.749 58 E HN -0.433 7.971 8.360 0.074 0.000 0.450 59 L N -1.402 119.805 121.223 -0.026 0.000 2.093 59 L HA -0.344 nan 4.340 nan 0.000 0.208 59 L C 2.330 179.179 176.870 -0.036 0.000 1.085 59 L CA 3.739 58.539 54.840 -0.067 0.000 0.755 59 L CB -0.235 41.721 42.059 -0.172 0.000 0.904 59 L HN -0.680 7.446 8.230 -0.051 0.074 0.435 60 Y N -2.193 118.169 120.300 0.104 0.000 2.109 60 Y HA -0.457 nan 4.550 nan 0.000 0.285 60 Y C 2.201 178.231 175.900 0.217 0.000 1.131 60 Y CA 4.452 62.669 58.100 0.195 0.000 1.121 60 Y CB -1.206 37.344 38.460 0.150 0.000 0.987 60 Y HN 0.060 8.114 8.280 -0.057 0.191 0.495 61 V N -4.101 115.967 119.914 0.257 0.000 2.332 61 V HA -0.494 nan 4.120 nan 0.000 0.248 61 V C 1.760 177.946 176.094 0.155 0.000 1.055 61 V CA 3.015 65.403 62.300 0.148 0.000 1.038 61 V CB -1.436 30.420 31.823 0.055 0.000 0.651 61 V HN -0.244 8.092 8.190 0.243 0.000 0.450 62 A N 0.470 123.363 122.820 0.122 0.000 1.851 62 A HA -0.262 nan 4.320 nan 0.000 0.216 62 A C 2.350 180.005 177.584 0.119 0.000 1.195 62 A CA 2.998 55.093 52.037 0.097 0.000 0.622 62 A CB -0.536 18.505 19.000 0.068 0.000 0.831 62 A HN -0.067 8.148 8.150 0.108 0.000 0.444 63 L N -2.455 118.844 121.223 0.126 0.000 2.275 63 L HA -0.263 nan 4.340 nan 0.000 0.215 63 L C 2.135 179.043 176.870 0.062 0.000 1.119 63 L CA 1.845 56.752 54.840 0.111 0.000 0.790 63 L CB -1.083 41.001 42.059 0.041 0.000 0.919 63 L HN -0.102 8.099 8.230 0.129 0.106 0.443 64 Y N -1.423 118.947 120.300 0.115 0.000 2.145 64 Y HA -0.324 nan 4.550 nan 0.000 0.286 64 Y C 1.906 177.828 175.900 0.037 0.000 1.145 64 Y CA 3.327 61.467 58.100 0.066 0.000 1.148 64 Y CB 0.043 38.516 38.460 0.022 0.000 0.981 64 Y HN -0.169 8.318 8.280 0.344 0.000 0.507 65 G N -2.278 106.625 108.800 0.171 0.000 3.343 65 G HA2 0.028 nan 3.960 nan 0.000 0.264 65 G HA3 0.028 nan 3.960 nan 0.000 0.264 65 G C -2.533 172.413 174.900 0.076 0.000 0.884 65 G CA -0.581 44.585 45.100 0.109 0.000 1.916 65 G HN -0.510 7.795 8.290 0.188 0.098 0.618 66 A N 2.129 124.985 122.820 0.060 0.000 2.365 66 A HA 0.486 nan 4.320 nan 0.000 0.318 66 A C -0.283 177.314 177.584 0.021 0.000 1.091 66 A CA -1.807 50.261 52.037 0.053 0.000 0.763 66 A CB 2.015 21.092 19.000 0.129 0.000 1.248 66 A HN -0.467 7.642 8.150 0.040 0.064 0.442 67 K N 2.555 122.968 120.400 0.022 0.000 1.971 67 K HA -0.290 nan 4.320 nan 0.000 0.221 67 K C -0.805 175.815 176.600 0.034 0.000 1.050 67 K CA 2.605 58.909 56.287 0.028 0.000 0.967 67 K CB 0.192 32.708 32.500 0.027 0.000 0.733 67 K HN 0.197 8.695 8.250 0.021 -0.235 0.445 68 D N -4.381 116.037 120.400 0.029 0.000 2.727 68 D HA -0.033 nan 4.640 nan 0.000 0.264 68 D C 0.029 176.334 176.300 0.009 0.000 1.101 68 D CA -1.315 52.730 54.000 0.075 0.000 1.122 68 D CB 1.094 41.958 40.800 0.108 0.000 1.390 68 D HN -0.444 7.932 8.370 0.011 0.000 0.606 69 F N -0.550 119.447 119.950 0.077 0.000 2.202 69 F HA -0.304 nan 4.527 nan 0.000 0.301 69 F C 1.465 177.378 175.800 0.188 0.000 1.082 69 F CA 3.307 61.379 58.000 0.120 0.000 1.313 69 F CB 0.456 39.496 39.000 0.068 0.000 1.024 69 F HN 0.230 8.762 8.300 0.386 0.000 0.495 70 N N -0.778 117.908 118.700 -0.023 0.000 2.092 70 N HA -0.282 nan 4.740 nan 0.000 0.189 70 N C 1.558 176.997 175.510 -0.119 0.000 1.040 70 N CA 3.100 56.129 53.050 -0.034 0.000 0.845 70 N CB -0.440 38.087 38.487 0.067 0.000 1.017 70 N HN -0.435 8.412 8.380 0.130 -0.389 0.426 71 D N 0.662 121.023 120.400 -0.065 0.000 2.182 71 D HA -0.284 nan 4.640 nan 0.000 0.201 71 D C 1.911 178.148 176.300 -0.106 0.000 0.986 71 D CA 3.075 57.053 54.000 -0.037 0.000 0.847 71 D CB 0.073 40.873 40.800 0.001 0.000 0.942 71 D HN -0.472 8.197 8.370 -0.029 -0.316 0.467 72 F N 0.610 120.327 119.950 -0.388 0.000 2.091 72 F HA -0.385 nan 4.527 nan 0.000 0.299 72 F C 1.303 176.820 175.800 -0.472 0.000 1.103 72 F CA 3.410 61.102 58.000 -0.514 0.000 1.228 72 F CB 0.087 38.542 39.000 -0.908 0.000 0.984 72 F HN -0.264 7.957 8.300 -0.133 0.000 0.477 73 I N -2.026 118.102 120.570 -0.736 0.000 2.252 73 I HA -0.529 nan 4.170 nan 0.000 0.245 73 I C 1.975 177.892 176.117 -0.333 0.000 1.102 73 I CA 2.267 63.212 61.300 -0.592 0.000 1.385 73 I CB -1.568 36.236 38.000 -0.328 0.000 1.064 73 I HN -0.474 7.271 8.210 -0.613 0.096 0.414 74 H N 1.287 120.206 119.070 -0.252 0.000 2.321 74 H HA -0.294 nan 4.556 nan 0.000 0.300 74 H C 2.314 177.552 175.328 -0.150 0.000 1.087 74 H CA 3.525 59.479 56.048 -0.158 0.000 1.319 74 H CB 0.049 29.749 29.762 -0.102 0.000 1.379 74 H HN -0.442 7.690 8.280 -0.121 0.076 0.501 75 L N -1.136 119.832 121.223 -0.424 0.000 2.043 75 L HA -0.393 nan 4.340 nan 0.000 0.212 75 L C 1.578 178.275 176.870 -0.288 0.000 1.075 75 L CA 3.628 58.257 54.840 -0.352 0.000 0.752 75 L CB -0.519 41.424 42.059 -0.194 0.000 0.891 75 L HN -0.128 7.941 8.230 -0.268 0.000 0.432 76 C N -1.777 117.338 119.300 -0.307 0.000 2.432 76 C HA -0.375 nan 4.460 nan 0.000 0.280 76 C C 2.281 177.184 174.990 -0.145 0.000 1.353 76 C CA 3.118 62.062 59.018 -0.123 0.000 1.766 76 C CB -2.221 25.339 27.740 -0.301 0.000 1.924 76 C HN -0.241 7.650 8.230 -0.446 0.072 0.509 77 E N 0.554 120.623 120.200 -0.219 0.000 2.031 77 E HA -0.450 nan 4.350 nan 0.000 0.193 77 E C 1.749 178.233 176.600 -0.193 0.000 0.994 77 E CA 3.297 59.600 56.400 -0.162 0.000 0.800 77 E CB -0.313 29.340 29.700 -0.077 0.000 0.752 77 E HN 0.131 8.230 8.360 -0.274 0.097 0.447 78 Q N -0.971 118.654 119.800 -0.291 0.000 1.969 78 Q HA -0.213 nan 4.340 nan 0.000 0.198 78 Q C 2.583 178.467 176.000 -0.194 0.000 0.978 78 Q CA 2.723 58.384 55.803 -0.236 0.000 0.830 78 Q CB 0.294 28.834 28.738 -0.329 0.000 0.896 78 Q HN -0.290 7.721 8.270 -0.432 0.000 0.431 79 A N -0.972 121.733 122.820 -0.193 0.000 1.978 79 A HA -0.303 nan 4.320 nan 0.000 0.220 79 A C 1.918 179.341 177.584 -0.269 0.000 1.170 79 A CA 3.143 55.081 52.037 -0.165 0.000 0.636 79 A CB -0.987 17.966 19.000 -0.078 0.000 0.810 79 A HN 0.114 8.142 8.150 -0.203 0.000 0.448 80 R N -1.838 118.414 120.500 -0.413 0.000 2.127 80 R HA -0.342 nan 4.340 nan 0.000 0.238 80 R C 2.375 178.503 176.300 -0.288 0.000 1.134 80 R CA 2.795 58.578 56.100 -0.528 0.000 0.975 80 R CB -0.340 29.655 30.300 -0.509 0.000 0.865 80 R HN 0.092 8.114 8.270 -0.357 0.034 0.447 81 Q N -2.282 117.402 119.800 -0.194 0.000 2.576 81 Q HA -0.249 nan 4.340 nan 0.000 0.218 81 Q C 1.151 177.087 176.000 -0.107 0.000 0.983 81 Q CA 2.515 58.242 55.803 -0.126 0.000 0.920 81 Q CB -0.214 28.469 28.738 -0.092 0.000 0.973 81 Q HN 0.029 8.045 8.270 -0.193 0.138 0.528 82 I N -5.185 115.308 120.570 -0.128 0.000 4.541 82 I HA 0.081 nan 4.170 nan 0.000 0.337 82 I C -1.785 174.262 176.117 -0.117 0.000 1.338 82 I CA -0.742 60.497 61.300 -0.102 0.000 1.244 82 I CB 1.954 39.909 38.000 -0.075 0.000 1.417 82 I HN -0.733 7.312 8.210 -0.162 0.067 0.501 83 V N -3.907 115.905 119.914 -0.170 0.000 2.975 83 V HA 0.332 nan 4.120 nan 0.000 0.318 83 V C -1.647 174.363 176.094 -0.139 0.000 1.077 83 V CA -3.488 58.719 62.300 -0.156 0.000 1.000 83 V CB 1.927 33.650 31.823 -0.166 0.000 1.066 83 V HN -0.649 7.408 8.190 -0.222 0.000 0.452 84 N N 0.698 119.318 118.700 -0.134 0.000 2.416 84 N HA -0.148 nan 4.740 nan 0.000 0.271 84 N C 1.408 176.840 175.510 -0.129 0.000 1.245 84 N CA 0.421 53.374 53.050 -0.162 0.000 0.940 84 N CB 0.352 38.680 38.487 -0.265 0.000 1.175 84 N HN 0.006 8.306 8.380 -0.134 0.000 0.483 85 E N 7.552 127.733 120.200 -0.031 0.000 2.058 85 E HA -0.326 nan 4.350 nan 0.000 0.194 85 E C 1.859 178.535 176.600 0.126 0.000 0.997 85 E CA 3.168 59.632 56.400 0.105 0.000 0.801 85 E CB -1.175 28.628 29.700 0.171 0.000 0.746 85 E HN 0.570 8.914 8.360 -0.026 0.000 0.450 86 G N -1.046 107.768 108.800 0.024 0.000 2.469 86 G HA2 -0.292 nan 3.960 nan 0.000 0.219 86 G HA3 -0.292 nan 3.960 nan 0.000 0.219 86 G C 1.520 176.513 174.900 0.154 0.000 1.150 86 G CA 1.926 47.091 45.100 0.108 0.000 0.763 86 G HN 0.382 8.657 8.290 -0.025 0.000 0.561 87 M N 1.826 121.238 119.600 -0.313 0.000 2.156 87 M HA -0.287 nan 4.480 nan 0.000 0.264 87 M C 0.863 177.151 176.300 -0.019 0.000 1.067 87 M CA 3.153 58.272 55.300 -0.302 0.000 1.131 87 M CB 0.069 32.266 32.600 -0.673 0.000 1.368 87 M HN -0.821 7.259 8.290 -0.578 -0.137 0.416 88 F N -0.145 119.743 119.950 -0.103 0.000 2.069 88 F HA -0.428 nan 4.527 nan 0.000 0.298 88 F C 1.490 177.333 175.800 0.072 0.000 1.113 88 F CA 4.403 62.396 58.000 -0.012 0.000 1.214 88 F CB -0.100 38.901 39.000 0.002 0.000 0.978 88 F HN -0.415 7.880 8.300 0.103 0.066 0.474 89 V N -0.783 119.208 119.914 0.129 0.000 2.392 89 V HA -0.500 nan 4.120 nan 0.000 0.249 89 V C 0.958 177.163 176.094 0.185 0.000 1.059 89 V CA 4.173 66.480 62.300 0.012 0.000 1.051 89 V CB -0.891 30.939 31.823 0.010 0.000 0.658 89 V HN 0.411 8.750 8.190 0.248 0.000 0.455 90 Y N 0.763 121.177 120.300 0.191 0.000 2.070 90 Y HA -0.586 nan 4.550 nan 0.000 0.280 90 Y C 1.267 177.223 175.900 0.093 0.000 1.148 90 Y CA 4.151 62.371 58.100 0.200 0.000 1.125 90 Y CB -0.054 38.484 38.460 0.130 0.000 0.975 90 Y HN -0.543 7.913 8.280 0.413 0.072 0.492 91 A N -2.899 120.049 122.820 0.214 0.000 1.969 91 A HA -0.309 nan 4.320 nan 0.000 0.218 91 A C 2.144 179.776 177.584 0.080 0.000 1.169 91 A CA 2.939 55.012 52.037 0.059 0.000 0.635 91 A CB -0.535 18.278 19.000 -0.312 0.000 0.810 91 A HN 0.200 8.409 8.150 0.099 0.000 0.445 92 V N -4.799 115.075 119.914 -0.067 0.000 2.719 92 V HA -0.225 nan 4.120 nan 0.000 0.252 92 V C 1.836 178.027 176.094 0.162 0.000 1.065 92 V CA 3.182 65.500 62.300 0.029 0.000 1.086 92 V CB -1.301 30.507 31.823 -0.026 0.000 0.700 92 V HN 0.052 8.109 8.190 -0.223 0.000 0.467 93 S N 0.860 116.656 115.700 0.160 0.000 2.387 93 S HA -0.207 nan 4.470 nan 0.000 0.226 93 S C 2.031 176.722 174.600 0.151 0.000 1.026 93 S CA 3.268 61.568 58.200 0.166 0.000 0.972 93 S CB -0.273 63.044 63.200 0.196 0.000 0.814 93 S HN 0.066 8.354 8.310 0.140 0.105 0.477 94 V N 1.634 121.706 119.914 0.262 0.000 2.295 94 V HA -0.416 nan 4.120 nan 0.000 0.246 94 V C 2.141 178.489 176.094 0.423 0.000 1.049 94 V CA 4.003 66.576 62.300 0.454 0.000 1.024 94 V CB -0.938 31.334 31.823 0.749 0.000 0.648 94 V HN -0.083 8.282 8.190 0.291 0.000 0.447 95 A N -0.524 122.377 122.820 0.134 0.000 1.865 95 A HA -0.289 nan 4.320 nan 0.000 0.217 95 A C 1.434 178.955 177.584 -0.105 0.000 1.191 95 A CA 3.578 55.447 52.037 -0.280 0.000 0.623 95 A CB -0.345 18.506 19.000 -0.249 0.000 0.826 95 A HN -0.103 8.051 8.150 0.190 0.110 0.444 96 V N -2.746 117.196 119.914 0.047 0.000 3.620 96 V HA -0.002 nan 4.120 nan 0.000 0.286 96 V C 0.077 176.172 176.094 0.001 0.000 1.288 96 V CA 1.153 63.514 62.300 0.102 0.000 1.178 96 V CB -1.200 30.812 31.823 0.316 0.000 0.986 96 V HN -0.186 7.964 8.190 0.116 0.110 0.431 97 L N -2.315 118.838 121.223 -0.116 0.000 2.253 97 L HA -0.039 nan 4.340 nan 0.000 0.205 97 L C 0.297 176.966 176.870 -0.335 0.000 1.078 97 L CA 2.069 56.696 54.840 -0.356 0.000 0.805 97 L CB 1.114 42.729 42.059 -0.740 0.000 0.963 97 L HN -0.554 7.590 8.230 -0.069 0.045 0.459 98 H N -7.562 111.581 119.070 0.122 0.000 3.233 98 H HA 0.210 nan 4.556 nan 0.000 0.263 98 H C -0.733 174.771 175.328 0.293 0.000 1.168 98 H CA -0.705 55.477 56.048 0.223 0.000 1.159 98 H CB 1.588 31.596 29.762 0.411 0.000 1.593 98 H HN -0.194 7.985 8.280 0.049 0.130 0.580 99 R N 0.408 121.039 120.500 0.218 0.000 2.295 99 R HA 0.293 nan 4.340 nan 0.000 0.324 99 R C 0.452 176.820 176.300 0.115 0.000 0.968 99 R CA -1.854 54.346 56.100 0.167 0.000 0.837 99 R CB 0.141 30.442 30.300 0.002 0.000 1.133 99 R HN -0.589 7.727 8.270 0.076 0.000 0.450 100 E N 3.103 123.384 120.200 0.136 0.000 2.533 100 E HA -0.218 nan 4.350 nan 0.000 0.201 100 E C 0.068 176.717 176.600 0.081 0.000 1.097 100 E CA 1.389 57.852 56.400 0.104 0.000 0.887 100 E CB -0.838 28.923 29.700 0.102 0.000 0.855 100 E HN 0.579 9.028 8.360 0.148 0.000 0.540 101 D N -2.821 117.661 120.400 0.136 0.000 2.349 101 D HA -0.017 nan 4.640 nan 0.000 0.224 101 D C 0.461 176.727 176.300 -0.058 0.000 1.029 101 D CA 1.004 55.092 54.000 0.147 0.000 0.879 101 D CB -0.638 40.404 40.800 0.403 0.000 0.906 101 D HN -0.179 8.220 8.370 0.173 0.075 0.528 102 C N -1.990 117.263 119.300 -0.079 0.000 2.495 102 C HA -0.027 nan 4.460 nan 0.000 0.275 102 C C 0.350 175.153 174.990 -0.313 0.000 1.392 102 C CA 0.011 58.876 59.018 -0.254 0.000 1.766 102 C CB 0.190 27.892 27.740 -0.064 0.000 1.933 102 C HN -0.255 7.901 8.230 0.006 0.077 0.519 103 K N 1.297 121.566 120.400 -0.217 0.000 2.484 103 K HA -0.201 nan 4.320 nan 0.000 0.280 103 K C 0.197 176.656 176.600 -0.235 0.000 1.013 103 K CA 1.392 57.566 56.287 -0.189 0.000 1.029 103 K CB -0.071 32.350 32.500 -0.132 0.000 0.902 103 K HN -0.500 7.641 8.250 -0.181 0.000 0.481 104 G N 3.346 111.998 108.800 -0.246 0.000 2.140 104 G HA2 -0.397 nan 3.960 nan 0.000 0.211 104 G HA3 -0.397 nan 3.960 nan 0.000 0.211 104 G C -1.346 173.379 174.900 -0.292 0.000 1.013 104 G CA -0.198 44.733 45.100 -0.282 0.000 0.705 104 G HN 0.245 8.339 8.290 -0.230 0.058 0.508 105 I N -0.158 120.253 120.570 -0.265 0.000 2.474 105 I HA 0.199 nan 4.170 nan 0.000 0.294 105 I C -1.755 174.278 176.117 -0.139 0.000 1.005 105 I CA -2.129 59.048 61.300 -0.205 0.000 1.113 105 I CB 1.973 39.851 38.000 -0.202 0.000 1.289 105 I HN -0.736 7.325 8.210 -0.249 0.000 0.436 106 T N 8.293 122.802 114.554 -0.074 0.000 2.807 106 T HA 0.166 nan 4.350 nan 0.000 0.279 106 T C -0.460 174.299 174.700 0.098 0.000 0.993 106 T CA -1.344 60.752 62.100 -0.006 0.000 0.970 106 T CB 1.780 70.646 68.868 -0.003 0.000 0.950 106 T HN -0.305 8.155 8.240 -0.058 -0.255 0.441 107 V N 6.083 126.061 119.914 0.105 0.000 2.521 107 V HA 0.024 nan 4.120 nan 0.000 0.286 107 V C -1.247 174.972 176.094 0.208 0.000 1.034 107 V CA -2.300 60.098 62.300 0.163 0.000 1.045 107 V CB -0.687 31.191 31.823 0.092 0.000 0.974 107 V HN 0.046 8.273 8.190 0.062 0.000 0.480 108 P HA 0.078 nan 4.420 nan 0.000 0.260 108 P C -2.643 174.772 177.300 0.192 0.000 1.185 108 P CA -0.913 62.398 63.100 0.352 0.000 0.763 108 P CB 0.152 32.088 31.700 0.393 0.000 0.776 109 P HA -0.005 nan 4.420 nan 0.000 0.265 109 P C 0.971 178.270 177.300 -0.002 0.000 1.222 109 P CA -0.130 63.029 63.100 0.097 0.000 0.767 109 P CB 0.392 32.132 31.700 0.065 0.000 0.801 110 I N 0.492 121.069 120.570 0.012 0.000 2.423 110 I HA -0.515 nan 4.170 nan 0.000 0.254 110 I C 0.842 176.888 176.117 -0.118 0.000 1.151 110 I CA 3.286 64.546 61.300 -0.066 0.000 1.421 110 I CB -0.305 37.549 38.000 -0.244 0.000 1.079 110 I HN 0.127 8.415 8.210 0.130 0.000 0.431 111 Q N -1.555 118.019 119.800 -0.377 0.000 2.172 111 Q HA -0.279 nan 4.340 nan 0.000 0.200 111 Q C 1.225 176.986 176.000 -0.398 0.000 0.964 111 Q CA 3.102 58.381 55.803 -0.874 0.000 0.855 111 Q CB -0.690 27.458 28.738 -0.984 0.000 0.918 111 Q HN 0.214 8.267 8.270 -0.264 0.059 0.444 112 E N -2.655 117.401 120.200 -0.240 0.000 2.216 112 E HA -0.039 nan 4.350 nan 0.000 0.192 112 E C 1.444 177.948 176.600 -0.160 0.000 0.973 112 E CA 1.515 57.818 56.400 -0.162 0.000 0.851 112 E CB 1.340 30.931 29.700 -0.181 0.000 0.804 112 E HN -0.425 7.673 8.360 -0.219 0.131 0.477 113 V N -5.827 113.961 119.914 -0.211 0.000 2.788 113 V HA -0.094 nan 4.120 nan 0.000 0.251 113 V C -0.122 175.646 176.094 -0.544 0.000 1.068 113 V CA 1.916 63.994 62.300 -0.372 0.000 1.090 113 V CB 0.275 31.853 31.823 -0.408 0.000 0.710 113 V HN -0.114 7.865 8.190 -0.174 0.107 0.467 114 F N -1.575 118.352 119.950 -0.038 0.000 2.660 114 F HA 0.585 nan 4.527 nan 0.000 0.352 114 F C -1.509 174.363 175.800 0.119 0.000 1.257 114 F CA -3.599 54.422 58.000 0.035 0.000 1.200 114 F CB 1.217 40.229 39.000 0.020 0.000 1.473 114 F HN -0.416 7.781 8.300 0.018 0.114 0.561 115 P HA -0.141 nan 4.420 nan 0.000 0.226 115 P C 0.635 178.116 177.300 0.302 0.000 1.153 115 P CA 1.951 65.172 63.100 0.202 0.000 0.777 115 P CB 0.041 31.798 31.700 0.096 0.000 0.794 116 D N -1.464 119.105 120.400 0.283 0.000 2.123 116 D HA -0.351 nan 4.640 nan 0.000 0.196 116 D C 0.320 176.740 176.300 0.200 0.000 0.992 116 D CA 2.682 56.823 54.000 0.236 0.000 0.833 116 D CB -1.803 39.148 40.800 0.251 0.000 0.954 116 D HN 0.435 8.927 8.370 0.312 0.066 0.455 117 R N -3.418 117.192 120.500 0.183 0.000 2.339 117 R HA -0.141 nan 4.340 nan 0.000 0.199 117 R C 0.576 176.686 176.300 -0.316 0.000 1.018 117 R CA 1.257 57.301 56.100 -0.092 0.000 1.036 117 R CB -0.558 29.630 30.300 -0.187 0.000 0.899 117 R HN -0.301 8.132 8.270 0.272 0.000 0.473 118 F N -2.825 117.106 119.950 -0.032 0.000 2.592 118 F HA 0.087 nan 4.527 nan 0.000 0.280 118 F C -0.541 175.234 175.800 -0.042 0.000 1.083 118 F CA 2.434 60.394 58.000 -0.065 0.000 1.365 118 F CB 2.287 41.235 39.000 -0.087 0.000 1.100 118 F HN -0.357 7.933 8.300 0.311 0.197 0.633 119 V N -6.156 113.866 119.914 0.180 0.000 3.096 119 V HA 0.533 nan 4.120 nan 0.000 0.319 119 V C -2.531 173.634 176.094 0.117 0.000 1.103 119 V CA -4.055 58.324 62.300 0.131 0.000 1.016 119 V CB -0.192 31.710 31.823 0.132 0.000 1.090 119 V HN -0.549 7.768 8.190 0.211 0.000 0.449 120 P HA -0.023 nan 4.420 nan 0.000 0.267 120 P C -0.555 176.811 177.300 0.110 0.000 1.209 120 P CA -0.055 63.111 63.100 0.109 0.000 0.763 120 P CB -0.001 31.744 31.700 0.075 0.000 0.816 121 A N 6.969 129.860 122.820 0.119 0.000 1.929 121 A HA -0.496 nan 4.320 nan 0.000 0.221 121 A C 1.700 179.337 177.584 0.089 0.000 1.211 121 A CA 3.712 55.813 52.037 0.107 0.000 0.657 121 A CB -0.654 18.409 19.000 0.106 0.000 0.827 121 A HN 0.813 8.936 8.150 0.134 0.107 0.462 122 E N -2.638 117.612 120.200 0.082 0.000 2.048 122 E HA -0.397 nan 4.350 nan 0.000 0.202 122 E C 2.203 178.844 176.600 0.070 0.000 1.021 122 E CA 3.051 59.491 56.400 0.067 0.000 0.825 122 E CB -0.530 29.203 29.700 0.055 0.000 0.756 122 E HN 0.207 8.621 8.360 0.090 0.000 0.454 123 T N 0.707 115.307 114.554 0.078 0.000 3.035 123 T HA -0.097 nan 4.350 nan 0.000 0.268 123 T C 2.478 177.229 174.700 0.086 0.000 1.109 123 T CA 2.826 64.975 62.100 0.082 0.000 1.119 123 T CB -0.734 68.189 68.868 0.092 0.000 0.900 123 T HN -0.487 7.718 8.240 0.081 0.084 0.503 124 I N 2.567 123.190 120.570 0.090 0.000 2.141 124 I HA -0.494 nan 4.170 nan 0.000 0.236 124 I C 1.014 177.177 176.117 0.078 0.000 1.071 124 I CA 4.209 65.563 61.300 0.090 0.000 1.345 124 I CB -0.142 37.918 38.000 0.099 0.000 1.066 124 I HN -0.426 7.721 8.210 0.092 0.119 0.406 125 N N -1.103 117.640 118.700 0.071 0.000 2.381 125 N HA -0.272 nan 4.740 nan 0.000 0.182 125 N C 2.564 178.109 175.510 0.057 0.000 1.025 125 N CA 2.911 55.997 53.050 0.060 0.000 0.888 125 N CB -0.055 38.464 38.487 0.053 0.000 0.965 125 N HN -0.174 8.250 8.380 0.074 0.000 0.438 126 R N -0.258 120.278 120.500 0.061 0.000 2.064 126 R HA -0.318 nan 4.340 nan 0.000 0.228 126 R C 1.635 177.975 176.300 0.067 0.000 1.144 126 R CA 3.654 59.790 56.100 0.061 0.000 0.932 126 R CB -0.084 30.253 30.300 0.061 0.000 0.833 126 R HN 0.397 8.585 8.270 0.065 0.121 0.429 127 A N -1.448 121.414 122.820 0.072 0.000 1.892 127 A HA -0.362 nan 4.320 nan 0.000 0.218 127 A C 2.290 179.922 177.584 0.080 0.000 1.188 127 A CA 3.176 55.258 52.037 0.076 0.000 0.631 127 A CB -0.946 18.102 19.000 0.080 0.000 0.822 127 A HN -0.532 7.661 8.150 0.073 0.000 0.447 128 N N -1.987 116.758 118.700 0.075 0.000 2.021 128 N HA -0.385 nan 4.740 nan 0.000 0.198 128 N C 2.172 177.717 175.510 0.060 0.000 1.041 128 N CA 3.077 56.167 53.050 0.067 0.000 0.862 128 N CB -0.582 37.939 38.487 0.057 0.000 1.048 128 N HN -0.254 8.172 8.380 0.076 0.000 0.427 129 K N 0.181 120.614 120.400 0.055 0.000 2.209 129 K HA -0.306 nan 4.320 nan 0.000 0.204 129 K C 2.495 179.130 176.600 0.058 0.000 1.048 129 K CA 2.976 59.290 56.287 0.046 0.000 0.940 129 K CB 0.010 32.534 32.500 0.040 0.000 0.729 129 K HN 0.099 8.188 8.250 0.056 0.195 0.451 130 E N -0.789 119.461 120.200 0.083 0.000 2.152 130 E HA -0.288 nan 4.350 nan 0.000 0.192 130 E C 2.063 178.749 176.600 0.142 0.000 0.983 130 E CA 2.756 59.235 56.400 0.131 0.000 0.818 130 E CB -0.157 29.623 29.700 0.133 0.000 0.758 130 E HN 0.085 8.366 8.360 0.079 0.127 0.467 131 A N -0.669 122.214 122.820 0.106 0.000 1.933 131 A HA -0.179 nan 4.320 nan 0.000 0.218 131 A C 1.538 179.165 177.584 0.072 0.000 1.175 131 A CA 3.111 55.208 52.037 0.099 0.000 0.628 131 A CB -0.629 18.430 19.000 0.098 0.000 0.814 131 A HN -0.269 7.938 8.150 0.095 0.000 0.444 132 S N -2.422 113.307 115.700 0.048 0.000 2.453 132 S HA -0.145 nan 4.470 nan 0.000 0.231 132 S C 1.278 175.871 174.600 -0.011 0.000 1.005 132 S CA 2.198 60.409 58.200 0.019 0.000 0.949 132 S CB 0.405 63.611 63.200 0.011 0.000 0.774 132 S HN -0.338 8.003 8.310 0.051 0.000 0.510 133 N N 0.118 118.807 118.700 -0.017 0.000 2.333 133 N HA -0.097 nan 4.740 nan 0.000 0.178 133 N C -0.135 175.162 175.510 -0.354 0.000 1.018 133 N CA 1.381 54.334 53.050 -0.161 0.000 0.882 133 N CB 1.088 39.483 38.487 -0.155 0.000 0.984 133 N HN -0.313 7.849 8.380 0.034 0.239 0.434 134 H N -1.339 117.743 119.070 0.020 0.000 2.854 134 H HA 0.368 nan 4.556 nan 0.000 0.275 134 H C -2.331 173.010 175.328 0.022 0.000 1.198 134 H CA -2.657 53.401 56.048 0.018 0.000 1.489 134 H CB 0.454 30.226 29.762 0.017 0.000 1.519 134 H HN -0.135 8.227 8.280 0.137 0.000 0.503 135 P HA -0.057 nan 4.420 nan 0.000 0.259 135 P C -1.519 175.824 177.300 0.072 0.000 1.635 135 P CA 0.464 63.606 63.100 0.070 0.000 1.199 135 P CB -0.520 31.204 31.700 0.039 0.000 1.850 136 D N 1.822 122.271 120.400 0.082 0.000 2.579 136 D HA 0.132 nan 4.640 nan 0.000 0.257 136 D C -0.689 175.641 176.300 0.049 0.000 1.176 136 D CA -1.195 52.840 54.000 0.060 0.000 0.914 136 D CB 2.622 43.458 40.800 0.059 0.000 1.431 136 D HN -0.518 7.887 8.370 0.095 0.021 0.454 137 Q N -1.131 118.687 119.800 0.029 0.000 2.451 137 Q HA -0.091 nan 4.340 nan 0.000 0.206 137 Q C 0.043 176.038 176.000 -0.009 0.000 0.947 137 Q CA 0.304 56.115 55.803 0.013 0.000 0.937 137 Q CB 0.416 29.157 28.738 0.006 0.000 1.025 137 Q HN 0.322 8.607 8.270 0.026 0.000 0.511 138 Q N 0.549 120.344 119.800 -0.008 0.000 2.286 138 Q HA -0.210 nan 4.340 nan 0.000 0.290 138 Q C -0.733 175.252 176.000 -0.025 0.000 1.049 138 Q CA 0.890 56.679 55.803 -0.025 0.000 0.923 138 Q CB 0.377 29.091 28.738 -0.040 0.000 1.183 138 Q HN -0.721 7.770 8.270 0.002 -0.220 0.383 139 S N 3.388 119.067 115.700 -0.035 0.000 2.576 139 S HA 0.191 nan 4.470 nan 0.000 0.272 139 S C -0.704 173.884 174.600 -0.020 0.000 1.352 139 S CA 0.674 58.855 58.200 -0.032 0.000 1.021 139 S CB 0.661 63.840 63.200 -0.035 0.000 0.887 139 S HN 0.092 8.379 8.310 -0.038 0.000 0.542 140 I N 0.704 121.272 120.570 -0.003 0.000 2.545 140 I HA 0.306 nan 4.170 nan 0.000 0.292 140 I C -2.155 173.969 176.117 0.011 0.000 1.040 140 I CA -0.664 60.641 61.300 0.007 0.000 1.068 140 I CB 3.608 41.629 38.000 0.034 0.000 1.251 140 I HN 0.471 8.681 8.210 -0.000 0.000 0.424 141 V N 6.410 126.329 119.914 0.008 0.000 2.577 141 V HA 0.600 nan 4.120 nan 0.000 0.303 141 V C -1.828 174.278 176.094 0.020 0.000 1.042 141 V CA -1.678 60.627 62.300 0.009 0.000 0.872 141 V CB 2.093 33.910 31.823 -0.010 0.000 0.998 141 V HN 0.151 8.343 8.190 0.004 0.000 0.423 142 V N 7.854 127.788 119.914 0.033 0.000 2.604 142 V HA 0.409 nan 4.120 nan 0.000 0.305 142 V C -1.744 174.379 176.094 0.049 0.000 1.043 142 V CA -1.625 60.702 62.300 0.045 0.000 0.888 142 V CB 3.390 35.249 31.823 0.060 0.000 0.995 142 V HN 0.777 8.988 8.190 0.035 0.000 0.429 143 E N 5.711 125.946 120.200 0.057 0.000 2.105 143 E HA 0.151 nan 4.350 nan 0.000 0.285 143 E C 0.358 177.025 176.600 0.112 0.000 1.055 143 E CA -0.890 55.558 56.400 0.081 0.000 0.843 143 E CB 0.631 30.393 29.700 0.103 0.000 1.067 143 E HN 0.459 8.852 8.360 0.055 0.000 0.398 144 A N 8.189 131.087 122.820 0.131 0.000 2.019 144 A HA -0.241 nan 4.320 nan 0.000 0.219 144 A C 0.869 178.553 177.584 0.166 0.000 1.164 144 A CA 2.610 54.739 52.037 0.153 0.000 0.644 144 A CB -0.497 18.621 19.000 0.198 0.000 0.805 144 A HN 0.852 8.961 8.150 0.110 0.106 0.449 145 E N -2.001 118.331 120.200 0.221 0.000 2.164 145 E HA -0.330 nan 4.350 nan 0.000 0.206 145 E C 0.168 176.843 176.600 0.126 0.000 1.032 145 E CA 1.862 58.385 56.400 0.204 0.000 0.832 145 E CB -0.081 29.723 29.700 0.174 0.000 0.742 145 E HN 0.214 8.686 8.360 0.261 0.045 0.460 146 E N -4.059 116.189 120.200 0.081 0.000 8.880 146 E HA -0.245 nan 4.350 nan 0.000 0.183 146 E C -1.361 175.249 176.600 0.016 0.000 1.450 146 E CA 0.584 57.002 56.400 0.030 0.000 2.521 146 E CB 0.084 29.775 29.700 -0.015 0.000 1.229 146 E HN -0.109 8.267 8.360 0.091 0.038 0.443 147 T N 2.130 116.675 114.554 -0.015 0.000 3.170 147 T HA 0.227 nan 4.350 nan 0.000 0.315 147 T C -1.301 173.368 174.700 -0.051 0.000 0.967 147 T CA 0.148 62.236 62.100 -0.020 0.000 1.024 147 T CB 0.547 69.412 68.868 -0.004 0.000 1.018 147 T HN 0.048 8.270 8.240 -0.029 0.000 0.449 148 G N 2.953 111.703 108.800 -0.083 0.000 2.658 148 G HA2 0.206 nan 3.960 nan 0.000 0.292 148 G HA3 0.206 nan 3.960 nan 0.000 0.292 148 G C -2.004 172.841 174.900 -0.092 0.000 1.320 148 G CA -0.073 44.960 45.100 -0.112 0.000 0.933 148 G HN -0.333 7.910 8.290 -0.077 0.000 0.476 149 N N 0.300 118.952 118.700 -0.080 0.000 2.645 149 N HA 0.155 nan 4.740 nan 0.000 0.233 149 N C -0.517 174.958 175.510 -0.058 0.000 1.058 149 N CA -0.678 52.342 53.050 -0.049 0.000 0.942 149 N CB 0.288 38.758 38.487 -0.029 0.000 1.210 149 N HN 0.137 8.468 8.380 -0.082 0.000 0.512 150 I N 4.914 125.451 120.570 -0.055 0.000 2.349 150 I HA -0.129 nan 4.170 nan 0.000 0.302 150 I C 0.262 176.386 176.117 0.011 0.000 1.180 150 I CA 0.699 61.970 61.300 -0.048 0.000 1.405 150 I CB -1.026 36.982 38.000 0.014 0.000 1.474 150 I HN 0.365 8.554 8.210 -0.034 0.000 0.632 151 L N 6.590 127.819 121.223 0.009 0.000 2.131 151 L HA -0.162 nan 4.340 nan 0.000 0.206 151 L C 0.619 177.524 176.870 0.058 0.000 1.087 151 L CA 1.304 56.163 54.840 0.032 0.000 0.767 151 L CB -0.341 41.734 42.059 0.027 0.000 0.917 151 L HN -0.026 8.164 8.230 -0.013 0.033 0.441 152 D N -0.878 119.569 120.400 0.079 0.000 2.348 152 D HA 0.171 nan 4.640 nan 0.000 0.253 152 D C -0.596 175.789 176.300 0.141 0.000 1.161 152 D CA -2.015 52.055 54.000 0.115 0.000 0.876 152 D CB 1.026 41.915 40.800 0.148 0.000 1.160 152 D HN -0.460 7.947 8.370 0.062 0.000 0.459 153 P HA -0.201 nan 4.420 nan 0.000 0.215 153 P C 0.934 178.301 177.300 0.112 0.000 1.153 153 P CA 1.834 64.992 63.100 0.096 0.000 0.853 153 P CB 0.418 32.155 31.700 0.062 0.000 0.788 154 E N -2.472 117.807 120.200 0.132 0.000 2.204 154 E HA -0.246 nan 4.350 nan 0.000 0.194 154 E C 2.014 178.700 176.600 0.144 0.000 0.989 154 E CA 2.008 58.481 56.400 0.122 0.000 0.824 154 E CB -0.469 29.318 29.700 0.144 0.000 0.756 154 E HN -0.462 8.333 8.360 0.144 -0.348 0.477 155 Y N 0.677 121.038 120.300 0.102 0.000 2.283 155 Y HA -0.408 nan 4.550 nan 0.000 0.285 155 Y C 1.817 177.765 175.900 0.080 0.000 1.176 155 Y CA 2.700 60.864 58.100 0.108 0.000 1.229 155 Y CB -0.155 38.366 38.460 0.102 0.000 0.975 155 Y HN -0.309 8.403 8.280 0.331 -0.233 0.537 156 K N -1.134 119.206 120.400 -0.100 0.000 2.015 156 K HA -0.418 nan 4.320 nan 0.000 0.216 156 K C 1.997 178.497 176.600 -0.167 0.000 1.052 156 K CA 2.959 59.181 56.287 -0.109 0.000 0.937 156 K CB -0.569 31.941 32.500 0.017 0.000 0.719 156 K HN -0.497 7.770 8.250 0.068 0.024 0.446 157 L N -3.320 117.758 121.223 -0.242 0.000 2.633 157 L HA -0.124 nan 4.340 nan 0.000 0.235 157 L C 0.926 177.489 176.870 -0.513 0.000 1.163 157 L CA 0.990 55.489 54.840 -0.567 0.000 0.859 157 L CB -1.057 40.837 42.059 -0.276 0.000 0.973 157 L HN -0.178 7.881 8.230 -0.123 0.098 0.451 158 S N 0.251 115.772 115.700 -0.297 0.000 2.603 158 S HA -0.218 nan 4.470 nan 0.000 0.229 158 S C 1.094 175.646 174.600 -0.080 0.000 0.972 158 S CA 2.031 60.145 58.200 -0.143 0.000 0.935 158 S CB -0.309 62.830 63.200 -0.102 0.000 0.769 158 S HN -0.609 7.333 8.310 -0.279 0.201 0.536 159 Y N -1.169 119.146 120.300 0.026 0.000 2.181 159 Y HA -0.293 nan 4.550 nan 0.000 0.288 159 Y C 0.285 176.308 175.900 0.205 0.000 1.146 159 Y CA 1.663 59.829 58.100 0.110 0.000 1.164 159 Y CB -0.829 37.673 38.460 0.071 0.000 0.982 159 Y HN -0.467 7.638 8.280 -0.246 0.027 0.515 160 F N 0.266 120.107 119.950 -0.182 0.000 2.222 160 F HA 0.056 nan 4.527 nan 0.000 0.285 160 F C 1.781 177.565 175.800 -0.027 0.000 1.068 160 F CA 1.134 59.129 58.000 -0.009 0.000 1.265 160 F CB 1.709 40.662 39.000 -0.079 0.000 1.087 160 F HN -0.621 7.291 8.300 -0.396 0.150 0.511 161 R N -0.993 119.470 120.500 -0.062 0.000 2.091 161 R HA -0.323 nan 4.340 nan 0.000 0.238 161 R C 0.584 176.740 176.300 -0.240 0.000 1.136 161 R CA 3.073 59.076 56.100 -0.161 0.000 0.959 161 R CB 0.048 30.346 30.300 -0.002 0.000 0.856 161 R HN -0.526 7.784 8.270 0.066 0.000 0.437 162 E N -4.551 115.571 120.200 -0.130 0.000 2.444 162 E HA 0.027 nan 4.350 nan 0.000 0.191 162 E C -1.421 175.132 176.600 -0.078 0.000 1.041 162 E CA -0.713 55.631 56.400 -0.094 0.000 0.883 162 E CB -0.234 29.472 29.700 0.009 0.000 1.024 162 E HN -0.206 8.077 8.360 -0.077 0.030 0.470 163 D N 0.047 120.381 120.400 -0.110 0.000 2.339 163 D HA -0.038 nan 4.640 nan 0.000 0.245 163 D C 0.665 176.942 176.300 -0.039 0.000 1.115 163 D CA -0.238 53.728 54.000 -0.057 0.000 0.917 163 D CB 1.432 42.207 40.800 -0.041 0.000 1.192 163 D HN -0.900 7.257 8.370 -0.201 0.092 0.428 164 I N 3.692 124.234 120.570 -0.046 0.000 2.142 164 I HA -0.277 nan 4.170 nan 0.000 0.240 164 I C 1.073 177.216 176.117 0.044 0.000 1.078 164 I CA 3.672 64.970 61.300 -0.004 0.000 1.343 164 I CB 0.247 38.087 38.000 -0.267 0.000 1.046 164 I HN 0.421 8.571 8.210 -0.100 0.000 0.405 165 G N -2.937 105.849 108.800 -0.024 0.000 2.403 165 G HA2 -0.218 nan 3.960 nan 0.000 0.216 165 G HA3 -0.218 nan 3.960 nan 0.000 0.216 165 G C 1.437 176.249 174.900 -0.146 0.000 1.154 165 G CA 1.697 46.767 45.100 -0.051 0.000 0.784 165 G HN -0.176 8.107 8.290 -0.012 0.000 0.538 166 I N 2.914 123.299 120.570 -0.308 0.000 2.069 166 I HA -0.551 nan 4.170 nan 0.000 0.237 166 I C 1.659 177.662 176.117 -0.191 0.000 1.053 166 I CA 3.058 64.073 61.300 -0.475 0.000 1.311 166 I CB -0.803 36.844 38.000 -0.589 0.000 1.030 166 I HN -0.870 7.344 8.210 -0.296 -0.182 0.398 167 N N -1.145 117.500 118.700 -0.091 0.000 2.244 167 N HA -0.248 nan 4.740 nan 0.000 0.183 167 N C 2.318 177.908 175.510 0.133 0.000 1.016 167 N CA 3.020 56.037 53.050 -0.055 0.000 0.866 167 N CB -0.203 38.123 38.487 -0.269 0.000 0.980 167 N HN -0.073 8.265 8.380 -0.070 0.000 0.430 168 A N 0.418 123.379 122.820 0.234 0.000 1.858 168 A HA -0.280 nan 4.320 nan 0.000 0.216 168 A C 1.582 179.137 177.584 -0.047 0.000 1.190 168 A CA 3.194 55.263 52.037 0.054 0.000 0.617 168 A CB -0.782 18.239 19.000 0.035 0.000 0.827 168 A HN 0.141 8.467 8.150 0.293 0.000 0.443 169 H N 0.122 119.237 119.070 0.076 0.000 2.357 169 H HA -0.458 nan 4.556 nan 0.000 0.296 169 H C 1.987 177.502 175.328 0.311 0.000 1.108 169 H CA 4.050 60.225 56.048 0.212 0.000 1.273 169 H CB 0.000 29.850 29.762 0.146 0.000 1.367 169 H HN -0.204 8.180 8.280 0.173 0.000 0.498 170 H N -1.125 118.037 119.070 0.155 0.000 2.290 170 H HA -0.360 nan 4.556 nan 0.000 0.298 170 H C 2.790 178.308 175.328 0.316 0.000 1.087 170 H CA 3.784 59.971 56.048 0.232 0.000 1.291 170 H CB 0.251 30.116 29.762 0.172 0.000 1.369 170 H HN -0.562 7.900 8.280 0.332 0.018 0.492 171 W N 0.650 122.014 121.300 0.108 0.000 2.332 171 W HA -0.429 nan 4.660 nan 0.000 0.321 171 W C 1.720 178.291 176.519 0.087 0.000 1.219 171 W CA 3.998 61.374 57.345 0.053 0.000 1.277 171 W CB -0.292 29.136 29.460 -0.054 0.000 1.161 171 W HN -0.449 7.971 8.180 0.400 0.000 0.476 172 H N -2.443 116.853 119.070 0.376 0.000 2.394 172 H HA -0.434 nan 4.556 nan 0.000 0.297 172 H C 2.310 177.657 175.328 0.032 0.000 1.113 172 H CA 3.219 59.372 56.048 0.174 0.000 1.277 172 H CB -0.879 28.975 29.762 0.153 0.000 1.370 172 H HN -0.040 8.217 8.280 -0.038 0.000 0.506 173 W N -0.265 121.004 121.300 -0.052 0.000 2.358 173 W HA -0.379 nan 4.660 nan 0.000 0.303 173 W C 1.859 178.405 176.519 0.046 0.000 1.208 173 W CA 4.825 62.141 57.345 -0.047 0.000 1.274 173 W CB 0.047 29.423 29.460 -0.140 0.000 1.138 173 W HN 0.638 8.913 8.180 0.157 0.000 0.515 174 H N -2.693 116.553 119.070 0.294 0.000 2.539 174 H HA -0.030 nan 4.556 nan 0.000 0.267 174 H C 1.615 176.885 175.328 -0.097 0.000 0.982 174 H CA 2.533 58.686 56.048 0.175 0.000 1.146 174 H CB 0.239 30.151 29.762 0.250 0.000 1.382 174 H HN -0.593 7.919 8.280 0.385 0.000 0.577 175 I N -0.343 120.161 120.570 -0.111 0.000 2.584 175 I HA -0.257 nan 4.170 nan 0.000 0.255 175 I C 1.357 177.438 176.117 -0.060 0.000 1.145 175 I CA 1.521 62.716 61.300 -0.174 0.000 1.462 175 I CB 0.435 38.326 38.000 -0.182 0.000 1.102 175 I HN -0.283 7.798 8.210 -0.062 0.092 0.433 176 V N -5.324 114.474 119.914 -0.194 0.000 2.591 176 V HA -0.106 nan 4.120 nan 0.000 0.249 176 V C 0.455 176.112 176.094 -0.728 0.000 1.053 176 V CA 1.892 63.948 62.300 -0.406 0.000 1.068 176 V CB -0.252 31.224 31.823 -0.579 0.000 0.689 176 V HN -0.369 7.716 8.190 -0.175 0.000 0.462 177 Y N -1.561 118.545 120.300 -0.325 0.000 2.919 177 Y HA 0.555 nan 4.550 nan 0.000 0.341 177 Y C -2.585 173.305 175.900 -0.017 0.000 1.045 177 Y CA -3.593 54.316 58.100 -0.317 0.000 1.218 177 Y CB -0.669 37.449 38.460 -0.571 0.000 1.137 177 Y HN 0.014 7.910 8.280 -0.454 0.112 0.577 178 P HA 0.106 nan 4.420 nan 0.000 0.276 178 P C -0.046 177.314 177.300 0.099 0.000 1.230 178 P CA -0.281 62.915 63.100 0.160 0.000 0.776 178 P CB 0.758 32.509 31.700 0.085 0.000 0.888 179 A N 4.511 127.366 122.820 0.058 0.000 1.940 179 A HA -0.301 nan 4.320 nan 0.000 0.219 179 A C 0.686 178.235 177.584 -0.058 0.000 1.176 179 A CA 3.063 55.098 52.037 -0.004 0.000 0.631 179 A CB -0.518 18.460 19.000 -0.035 0.000 0.814 179 A HN 0.646 8.846 8.150 0.082 0.000 0.446 180 T N -6.392 108.060 114.554 -0.171 0.000 3.252 180 T HA -0.104 nan 4.350 nan 0.000 0.250 180 T C 0.695 175.231 174.700 -0.273 0.000 1.123 180 T CA -1.071 60.879 62.100 -0.251 0.000 1.006 180 T CB -1.410 67.221 68.868 -0.396 0.000 0.992 180 T HN -0.162 7.927 8.240 -0.230 0.013 0.547 181 W N 4.290 125.402 121.300 -0.312 0.000 2.771 181 W HA -0.223 nan 4.660 nan 0.000 0.407 181 W C -1.740 174.659 176.519 -0.201 0.000 1.221 181 W CA -0.163 57.015 57.345 -0.279 0.000 1.539 181 W CB -0.958 28.363 29.460 -0.232 0.000 1.647 181 W HN -0.260 7.765 8.180 0.050 0.185 0.469 182 N N 7.953 126.349 118.700 -0.506 0.000 2.452 182 N HA -0.062 nan 4.740 nan 0.000 0.266 182 N C -1.104 174.022 175.510 -0.640 0.000 1.209 182 N CA -0.943 51.850 53.050 -0.428 0.000 0.929 182 N CB 0.918 39.194 38.487 -0.352 0.000 1.063 182 N HN -0.344 7.696 8.380 -0.499 0.041 0.472 183 P HA -0.118 nan 4.420 nan 0.000 0.216 183 P C 0.140 177.346 177.300 -0.157 0.000 1.153 183 P CA 1.950 64.977 63.100 -0.122 0.000 0.844 183 P CB 0.624 32.354 31.700 0.051 0.000 0.787 184 T N -4.589 109.882 114.554 -0.138 0.000 2.732 184 T HA -0.155 nan 4.350 nan 0.000 0.261 184 T C 2.858 177.484 174.700 -0.124 0.000 1.040 184 T CA 3.273 65.317 62.100 -0.095 0.000 1.145 184 T CB -0.544 68.284 68.868 -0.067 0.000 0.866 184 T HN -0.139 8.185 8.240 -0.148 -0.172 0.427 185 V N 2.069 121.881 119.914 -0.171 0.000 2.759 185 V HA -0.190 nan 4.120 nan 0.000 0.256 185 V C 1.210 177.168 176.094 -0.227 0.000 1.080 185 V CA 3.088 65.289 62.300 -0.166 0.000 1.101 185 V CB -0.650 31.078 31.823 -0.160 0.000 0.698 185 V HN 0.264 8.678 8.190 -0.183 -0.334 0.477 186 M N -2.661 116.711 119.600 -0.380 0.000 2.560 186 M HA 0.164 nan 4.480 nan 0.000 0.297 186 M C 0.442 176.638 176.300 -0.173 0.000 1.201 186 M CA -1.582 53.448 55.300 -0.450 0.000 0.973 186 M CB -0.668 31.223 32.600 -1.182 0.000 1.401 186 M HN -0.409 7.599 8.290 -0.431 0.023 0.497 187 G N 0.526 109.275 108.800 -0.085 0.000 2.458 187 G HA2 -0.410 nan 3.960 nan 0.000 0.237 187 G HA3 -0.410 nan 3.960 nan 0.000 0.237 187 G C -1.021 173.911 174.900 0.053 0.000 1.113 187 G CA 1.118 46.222 45.100 0.007 0.000 0.655 187 G HN 0.129 8.154 8.290 -0.120 0.193 0.513 188 K N -0.511 119.961 120.400 0.119 0.000 2.522 188 K HA 0.358 nan 4.320 nan 0.000 0.275 188 K C -2.055 174.722 176.600 0.294 0.000 1.006 188 K CA -1.206 55.180 56.287 0.165 0.000 0.890 188 K CB 2.512 35.102 32.500 0.151 0.000 1.475 188 K HN -0.369 7.856 8.250 0.129 0.102 0.441 189 E N -0.189 120.130 120.200 0.199 0.000 2.285 189 E HA 0.206 nan 4.350 nan 0.000 0.254 189 E C -0.657 175.962 176.600 0.031 0.000 1.011 189 E CA -1.531 54.988 56.400 0.199 0.000 0.873 189 E CB 1.623 31.398 29.700 0.126 0.000 1.229 189 E HN 0.176 8.613 8.360 0.128 0.000 0.422 190 K N 0.210 120.601 120.400 -0.015 0.000 2.572 190 K HA 0.281 nan 4.320 nan 0.000 0.244 190 K C -1.142 175.477 176.600 0.032 0.000 0.965 190 K CA -1.428 54.806 56.287 -0.089 0.000 0.943 190 K CB 0.894 33.240 32.500 -0.257 0.000 1.154 190 K HN 0.311 8.600 8.250 0.064 0.000 0.447 191 D N 5.303 125.739 120.400 0.059 0.000 2.502 191 D HA -0.184 nan 4.640 nan 0.000 0.249 191 D C -0.020 176.306 176.300 0.043 0.000 1.188 191 D CA 1.610 55.651 54.000 0.068 0.000 0.890 191 D CB -0.078 40.772 40.800 0.082 0.000 1.140 191 D HN 0.308 8.702 8.370 0.041 0.000 0.505 192 R N -0.256 120.262 120.500 0.030 0.000 3.641 192 R HA -0.536 nan 4.340 nan 0.000 0.286 192 R C 0.647 176.922 176.300 -0.042 0.000 1.153 192 R CA 1.104 57.213 56.100 0.015 0.000 0.775 192 R CB -1.929 28.388 30.300 0.028 0.000 1.215 192 R HN 0.665 8.963 8.270 0.046 0.000 0.474 193 K N -1.040 119.302 120.400 -0.097 0.000 2.152 193 K HA -0.278 nan 4.320 nan 0.000 0.206 193 K C 1.824 178.444 176.600 0.033 0.000 1.048 193 K CA 2.788 58.943 56.287 -0.221 0.000 0.933 193 K CB -0.573 31.809 32.500 -0.197 0.000 0.721 193 K HN -0.500 7.724 8.250 -0.044 0.000 0.447 194 G N -1.110 107.751 108.800 0.102 0.000 2.434 194 G HA2 -0.261 nan 3.960 nan 0.000 0.214 194 G HA3 -0.261 nan 3.960 nan 0.000 0.214 194 G C 0.343 175.413 174.900 0.284 0.000 1.202 194 G CA 1.676 46.916 45.100 0.233 0.000 0.788 194 G HN 0.197 8.824 8.290 0.070 -0.295 0.539 195 E N 2.383 122.685 120.200 0.170 0.000 2.058 195 E HA -0.287 nan 4.350 nan 0.000 0.194 195 E C 1.974 178.643 176.600 0.115 0.000 0.997 195 E CA 2.576 59.055 56.400 0.131 0.000 0.801 195 E CB -0.168 29.583 29.700 0.086 0.000 0.746 195 E HN -0.850 7.767 8.360 0.138 -0.175 0.450 196 L N -0.993 120.297 121.223 0.112 0.000 2.131 196 L HA -0.315 nan 4.340 nan 0.000 0.210 196 L C 1.157 178.188 176.870 0.269 0.000 1.092 196 L CA 2.781 57.730 54.840 0.182 0.000 0.759 196 L CB -0.516 41.633 42.059 0.150 0.000 0.903 196 L HN 0.067 8.348 8.230 0.086 0.000 0.435 197 F N 0.697 120.730 119.950 0.139 0.000 2.234 197 F HA -0.363 nan 4.527 nan 0.000 0.299 197 F C 1.298 176.990 175.800 -0.179 0.000 1.087 197 F CA 3.233 61.200 58.000 -0.054 0.000 1.340 197 F CB -0.064 38.963 39.000 0.045 0.000 1.031 197 F HN -0.483 7.936 8.300 0.390 0.115 0.500 198 F N 1.462 120.997 119.950 -0.691 0.000 2.026 198 F HA -0.492 nan 4.527 nan 0.000 0.296 198 F C 0.619 176.130 175.800 -0.481 0.000 1.133 198 F CA 3.000 60.373 58.000 -1.045 0.000 1.188 198 F CB -0.709 37.446 39.000 -1.408 0.000 0.968 198 F HN 0.044 8.191 8.300 -0.136 0.072 0.476 199 Y N -0.044 119.722 120.300 -0.889 0.000 2.049 199 Y HA -0.558 nan 4.550 nan 0.000 0.277 199 Y C 1.725 177.226 175.900 -0.664 0.000 1.143 199 Y CA 3.546 61.068 58.100 -0.962 0.000 1.115 199 Y CB -0.082 38.057 38.460 -0.535 0.000 0.975 199 Y HN -0.123 8.008 8.280 -0.248 0.000 0.487 200 M N -2.064 117.197 119.600 -0.564 0.000 2.143 200 M HA -0.528 nan 4.480 nan 0.000 0.258 200 M C 1.836 177.627 176.300 -0.848 0.000 1.071 200 M CA 3.055 57.893 55.300 -0.771 0.000 1.088 200 M CB -0.431 31.695 32.600 -0.791 0.000 1.360 200 M HN 0.086 8.237 8.290 -0.232 0.000 0.404 201 H N -2.059 116.639 119.070 -0.621 0.000 2.403 201 H HA -0.142 nan 4.556 nan 0.000 0.298 201 H C 2.447 177.597 175.328 -0.297 0.000 1.059 201 H CA 3.967 59.803 56.048 -0.354 0.000 1.363 201 H CB -0.437 29.112 29.762 -0.355 0.000 1.410 201 H HN -0.457 7.434 8.280 -0.422 0.135 0.528 202 Q N -0.106 119.470 119.800 -0.374 0.000 2.020 202 Q HA -0.402 nan 4.340 nan 0.000 0.202 202 Q C 2.331 178.099 176.000 -0.388 0.000 0.982 202 Q CA 3.457 59.066 55.803 -0.323 0.000 0.838 202 Q CB -0.166 28.299 28.738 -0.455 0.000 0.899 202 Q HN -0.007 7.945 8.270 -0.529 0.000 0.423 203 Q N -1.146 118.213 119.800 -0.734 0.000 2.112 203 Q HA -0.343 nan 4.340 nan 0.000 0.206 203 Q C 2.701 178.291 176.000 -0.684 0.000 0.987 203 Q CA 2.782 58.081 55.803 -0.840 0.000 0.858 203 Q CB -0.432 27.405 28.738 -1.501 0.000 0.905 203 Q HN 0.224 7.900 8.270 -0.990 0.000 0.420 204 M N -0.267 118.966 119.600 -0.611 0.000 2.082 204 M HA -0.433 nan 4.480 nan 0.000 0.258 204 M C 2.072 178.521 176.300 0.248 0.000 1.071 204 M CA 4.523 59.754 55.300 -0.115 0.000 1.103 204 M CB -0.015 32.713 32.600 0.214 0.000 1.307 204 M HN 0.057 7.925 8.290 -0.704 0.000 0.409 205 C N -2.526 116.904 119.300 0.216 0.000 2.472 205 C HA -0.151 nan 4.460 nan 0.000 0.278 205 C C 2.086 177.199 174.990 0.206 0.000 1.447 205 C CA 2.435 61.656 59.018 0.339 0.000 1.773 205 C CB -2.440 25.501 27.740 0.334 0.000 1.793 205 C HN -0.177 8.106 8.230 0.088 0.000 0.544 206 A N 1.197 124.054 122.820 0.062 0.000 1.935 206 A HA -0.135 nan 4.320 nan 0.000 0.214 206 A C 1.485 179.074 177.584 0.008 0.000 1.178 206 A CA 3.032 55.085 52.037 0.027 0.000 0.640 206 A CB -0.626 18.367 19.000 -0.012 0.000 0.825 206 A HN 0.673 8.680 8.150 -0.023 0.130 0.447 207 R N -0.489 120.007 120.500 -0.006 0.000 2.083 207 R HA -0.409 nan 4.340 nan 0.000 0.237 207 R C 2.020 178.197 176.300 -0.206 0.000 1.137 207 R CA 3.567 59.650 56.100 -0.028 0.000 0.951 207 R CB -0.130 30.238 30.300 0.114 0.000 0.851 207 R HN -0.174 8.065 8.270 -0.051 0.000 0.434 208 Y N 0.479 120.598 120.300 -0.302 0.000 2.053 208 Y HA -0.480 nan 4.550 nan 0.000 0.277 208 Y C 1.344 177.071 175.900 -0.288 0.000 1.159 208 Y CA 3.477 61.313 58.100 -0.440 0.000 1.125 208 Y CB -0.151 38.132 38.460 -0.295 0.000 0.969 208 Y HN 0.156 8.568 8.280 0.220 0.000 0.492 209 D N -2.682 117.654 120.400 -0.106 0.000 2.228 209 D HA -0.397 nan 4.640 nan 0.000 0.203 209 D C 2.736 178.931 176.300 -0.175 0.000 0.988 209 D CA 3.269 57.172 54.000 -0.161 0.000 0.864 209 D CB -0.940 39.848 40.800 -0.019 0.000 0.928 209 D HN 0.030 8.334 8.370 0.102 0.127 0.469 210 S N -0.182 115.446 115.700 -0.120 0.000 2.345 210 S HA -0.236 nan 4.470 nan 0.000 0.220 210 S C 1.810 176.359 174.600 -0.084 0.000 1.031 210 S CA 3.091 61.272 58.200 -0.031 0.000 0.996 210 S CB -0.069 63.184 63.200 0.088 0.000 0.882 210 S HN -0.212 8.015 8.310 -0.103 0.020 0.445 211 E N 0.729 120.797 120.200 -0.220 0.000 2.187 211 E HA -0.430 nan 4.350 nan 0.000 0.199 211 E C 2.758 179.195 176.600 -0.272 0.000 1.004 211 E CA 3.168 59.432 56.400 -0.227 0.000 0.813 211 E CB -0.482 28.960 29.700 -0.430 0.000 0.736 211 E HN -0.181 7.945 8.360 -0.294 0.057 0.468 212 R N -1.628 118.603 120.500 -0.448 0.000 2.070 212 R HA -0.278 nan 4.340 nan 0.000 0.233 212 R C 2.583 178.772 176.300 -0.185 0.000 1.137 212 R CA 3.180 59.064 56.100 -0.361 0.000 0.945 212 R CB -0.104 29.937 30.300 -0.432 0.000 0.845 212 R HN 0.245 8.163 8.270 -0.579 0.005 0.430 213 L N -1.405 119.726 121.223 -0.153 0.000 2.201 213 L HA -0.245 nan 4.340 nan 0.000 0.212 213 L C 2.855 179.683 176.870 -0.071 0.000 1.105 213 L CA 2.880 57.651 54.840 -0.115 0.000 0.775 213 L CB -0.645 41.330 42.059 -0.139 0.000 0.913 213 L HN -0.493 7.630 8.230 -0.178 0.000 0.440 214 S N 1.667 117.368 115.700 0.001 0.000 2.368 214 S HA -0.335 nan 4.470 nan 0.000 0.225 214 S C 1.943 176.556 174.600 0.023 0.000 1.030 214 S CA 3.894 62.149 58.200 0.091 0.000 0.999 214 S CB -0.906 62.388 63.200 0.157 0.000 0.844 214 S HN 0.556 8.832 8.310 -0.012 0.026 0.459 215 N N -1.376 117.321 118.700 -0.006 0.000 2.520 215 N HA -0.216 nan 4.740 nan 0.000 0.185 215 N C 0.028 175.516 175.510 -0.036 0.000 1.068 215 N CA 1.078 54.117 53.050 -0.017 0.000 0.911 215 N CB 0.326 38.803 38.487 -0.017 0.000 0.961 215 N HN -0.799 7.561 8.380 -0.017 0.009 0.446 216 G N -1.866 106.900 108.800 -0.057 0.000 2.212 216 G HA2 -0.306 nan 3.960 nan 0.000 0.255 216 G HA3 -0.306 nan 3.960 nan 0.000 0.255 216 G C -0.864 173.997 174.900 -0.064 0.000 1.062 216 G CA 0.277 45.335 45.100 -0.069 0.000 0.815 216 G HN -0.420 7.618 8.290 -0.060 0.216 0.497 217 L N -2.270 118.908 121.223 -0.075 0.000 2.299 217 L HA 0.410 nan 4.340 nan 0.000 0.268 217 L C -0.771 176.047 176.870 -0.085 0.000 1.012 217 L CA -2.118 52.678 54.840 -0.073 0.000 0.816 217 L CB 2.825 44.835 42.059 -0.082 0.000 1.355 217 L HN -0.032 8.147 8.230 -0.085 0.000 0.457 218 Q N -3.351 116.407 119.800 -0.071 0.000 2.260 218 Q HA 0.172 nan 4.340 nan 0.000 0.238 218 Q C -0.412 175.538 176.000 -0.084 0.000 0.948 218 Q CA -1.016 54.746 55.803 -0.067 0.000 0.895 218 Q CB 0.970 29.684 28.738 -0.039 0.000 1.218 218 Q HN 0.046 8.282 8.270 -0.056 0.000 0.470 219 R N -0.300 120.156 120.500 -0.074 0.000 2.740 219 R HA -0.261 nan 4.340 nan 0.000 0.263 219 R C -0.140 176.159 176.300 -0.002 0.000 0.997 219 R CA 1.269 57.335 56.100 -0.056 0.000 1.108 219 R CB 0.390 30.676 30.300 -0.024 0.000 0.969 219 R HN -0.147 8.324 8.270 -0.068 -0.242 0.431 220 M N 1.903 121.538 119.600 0.058 0.000 2.188 220 M HA -0.127 nan 4.480 nan 0.000 0.354 220 M C -0.375 176.011 176.300 0.144 0.000 1.342 220 M CA -1.020 54.371 55.300 0.152 0.000 1.117 220 M CB 0.787 33.594 32.600 0.345 0.000 1.670 220 M HN -0.010 8.679 8.290 0.066 -0.359 0.466 221 I N 7.107 127.751 120.570 0.124 0.000 2.598 221 I HA 0.060 nan 4.170 nan 0.000 0.284 221 I C -1.824 174.377 176.117 0.141 0.000 1.140 221 I CA -2.715 58.650 61.300 0.108 0.000 1.420 221 I CB 0.963 39.010 38.000 0.079 0.000 1.387 221 I HN 0.103 8.383 8.210 0.116 0.000 0.553 222 P HA 0.003 nan 4.420 nan 0.000 0.271 222 P C -1.151 176.218 177.300 0.114 0.000 1.218 222 P CA -0.870 62.322 63.100 0.154 0.000 0.780 222 P CB 0.726 32.526 31.700 0.167 0.000 0.901 223 F N 4.070 123.938 119.950 -0.136 0.000 2.661 223 F HA -0.065 nan 4.527 nan 0.000 0.356 223 F C -1.175 174.108 175.800 -0.862 0.000 1.244 223 F CA -1.190 56.580 58.000 -0.384 0.000 1.290 223 F CB -1.199 37.602 39.000 -0.331 0.000 1.677 223 F HN 0.200 8.534 8.300 0.176 0.072 0.649 224 H N 4.111 122.818 119.070 -0.606 0.000 2.436 224 H HA -0.095 nan 4.556 nan 0.000 0.294 224 H C -0.500 174.405 175.328 -0.704 0.000 1.048 224 H CA 2.074 57.804 56.048 -0.529 0.000 1.353 224 H CB 0.985 30.642 29.762 -0.173 0.000 1.414 224 H HN -0.109 7.988 8.280 -0.217 0.052 0.536 225 N N -2.416 115.824 118.700 -0.766 0.000 2.384 225 N HA -0.002 nan 4.740 nan 0.000 0.301 225 N C -0.444 174.406 175.510 -1.100 0.000 1.133 225 N CA -1.412 51.277 53.050 -0.601 0.000 0.853 225 N CB 1.639 39.967 38.487 -0.265 0.000 1.241 225 N HN -0.521 7.376 8.380 -0.805 0.000 0.502 226 F N -0.574 119.028 119.950 -0.579 0.000 2.530 226 F HA -0.036 nan 4.527 nan 0.000 0.292 226 F C 0.969 176.663 175.800 -0.177 0.000 1.109 226 F CA 1.856 59.618 58.000 -0.397 0.000 1.450 226 F CB 0.730 39.673 39.000 -0.095 0.000 1.114 226 F HN 0.424 8.754 8.300 0.050 0.000 0.560 227 D N -0.887 119.508 120.400 -0.008 0.000 2.104 227 D HA -0.255 nan 4.640 nan 0.000 0.194 227 D C 0.794 177.092 176.300 -0.005 0.000 0.994 227 D CA 2.688 56.688 54.000 -0.001 0.000 0.830 227 D CB -0.299 40.486 40.800 -0.025 0.000 0.959 227 D HN -0.707 7.891 8.370 -0.024 -0.242 0.452 228 E N -0.328 119.821 120.200 -0.085 0.000 2.493 228 E HA 0.077 nan 4.350 nan 0.000 0.255 228 E C -1.338 175.321 176.600 0.098 0.000 0.999 228 E CA -1.121 55.257 56.400 -0.037 0.000 0.934 228 E CB -0.686 28.948 29.700 -0.110 0.000 0.940 228 E HN 0.013 8.262 8.360 -0.185 0.000 0.473 229 P HA -0.137 nan 4.420 nan 0.000 0.267 229 P C -1.553 175.858 177.300 0.184 0.000 1.195 229 P CA 0.666 63.838 63.100 0.121 0.000 0.773 229 P CB 0.363 32.081 31.700 0.030 0.000 0.837 230 L N 1.632 122.966 121.223 0.186 0.000 2.325 230 L HA 0.203 nan 4.340 nan 0.000 0.279 230 L C -0.130 176.827 176.870 0.146 0.000 1.054 230 L CA -0.677 54.259 54.840 0.160 0.000 0.804 230 L CB 1.050 43.180 42.059 0.117 0.000 1.200 230 L HN 0.357 8.599 8.230 0.192 0.103 0.436 231 E N 2.008 122.287 120.200 0.132 0.000 2.422 231 E HA -0.151 nan 4.350 nan 0.000 0.260 231 E C 0.335 177.033 176.600 0.163 0.000 1.108 231 E CA 0.629 57.110 56.400 0.135 0.000 0.943 231 E CB 0.786 30.562 29.700 0.127 0.000 0.961 231 E HN 0.276 8.710 8.360 0.124 0.000 0.443 232 G N -0.583 108.321 108.800 0.173 0.000 2.377 232 G HA2 0.371 nan 3.960 nan 0.000 0.299 232 G HA3 0.371 nan 3.960 nan 0.000 0.299 232 G C -1.760 173.299 174.900 0.265 0.000 1.150 232 G CA -0.434 44.781 45.100 0.192 0.000 0.847 232 G HN 0.016 8.400 8.290 0.156 0.000 0.501 233 Y N 3.923 124.260 120.300 0.060 0.000 2.474 233 Y HA 0.068 nan 4.550 nan 0.000 0.326 233 Y C -2.921 172.979 175.900 -0.000 0.000 1.160 233 Y CA 0.465 58.592 58.100 0.044 0.000 1.056 233 Y CB 4.253 42.742 38.460 0.049 0.000 1.330 233 Y HN 0.804 9.094 8.280 0.194 0.106 0.447 234 A N 5.818 128.203 122.820 -0.725 0.000 2.293 234 A HA 0.469 nan 4.320 nan 0.000 0.312 234 A C -1.799 175.152 177.584 -1.055 0.000 1.309 234 A CA -4.428 47.159 52.037 -0.750 0.000 0.839 234 A CB 0.544 19.153 19.000 -0.651 0.000 1.155 234 A HN 0.296 7.971 8.150 -0.792 0.000 0.501 235 P HA -0.182 nan 4.420 nan 0.000 0.220 235 P C -0.717 176.559 177.300 -0.040 0.000 1.148 235 P CA 1.150 64.069 63.100 -0.302 0.000 0.803 235 P CB 0.168 31.801 31.700 -0.112 0.000 0.782 236 H N -6.868 112.121 119.070 -0.135 0.000 2.880 236 H HA -0.286 nan 4.556 nan 0.000 0.304 236 H C -1.695 173.636 175.328 0.005 0.000 1.259 236 H CA 0.349 56.367 56.048 -0.049 0.000 1.153 236 H CB -1.887 27.854 29.762 -0.036 0.000 1.395 236 H HN 0.388 8.385 8.280 -0.397 0.045 0.420 237 L N -0.555 120.724 121.223 0.093 0.000 2.377 237 L HA 0.358 nan 4.340 nan 0.000 0.270 237 L C -1.214 175.784 176.870 0.212 0.000 0.991 237 L CA -0.906 54.012 54.840 0.129 0.000 0.851 237 L CB 1.711 43.788 42.059 0.029 0.000 1.218 237 L HN -0.290 7.969 8.230 0.049 0.000 0.420 238 T N -0.500 114.155 114.554 0.169 0.000 2.875 238 T HA 0.465 nan 4.350 nan 0.000 0.284 238 T C -0.108 174.689 174.700 0.161 0.000 0.995 238 T CA -2.452 59.736 62.100 0.146 0.000 1.060 238 T CB 1.168 70.092 68.868 0.093 0.000 0.967 238 T HN 0.116 8.443 8.240 0.145 0.000 0.476 239 S N 3.319 119.087 115.700 0.113 0.000 2.499 239 S HA 0.257 nan 4.470 nan 0.000 0.275 239 S C 1.657 176.324 174.600 0.112 0.000 1.257 239 S CA -1.288 56.981 58.200 0.116 0.000 1.050 239 S CB 0.768 63.959 63.200 -0.016 0.000 0.937 239 S HN 0.084 8.424 8.310 0.050 0.000 0.490 240 L N 1.684 123.004 121.223 0.162 0.000 2.450 240 L HA -0.071 nan 4.340 nan 0.000 0.224 240 L C 0.614 177.564 176.870 0.134 0.000 1.149 240 L CA 2.114 57.042 54.840 0.147 0.000 0.816 240 L CB -0.749 41.413 42.059 0.172 0.000 0.932 240 L HN -0.026 8.555 8.230 0.209 -0.225 0.449 241 V N -7.520 112.478 119.914 0.140 0.000 3.141 241 V HA -0.102 nan 4.120 nan 0.000 0.265 241 V C 0.426 176.558 176.094 0.063 0.000 1.126 241 V CA 0.301 62.670 62.300 0.116 0.000 1.141 241 V CB -0.965 30.922 31.823 0.107 0.000 0.743 241 V HN 0.240 8.453 8.190 0.142 0.062 0.492 242 S N -0.075 115.653 115.700 0.046 0.000 3.407 242 S HA 0.273 nan 4.470 nan 0.000 0.315 242 S C -0.316 174.298 174.600 0.024 0.000 1.211 242 S CA -0.279 57.937 58.200 0.026 0.000 1.148 242 S CB 1.115 64.322 63.200 0.012 0.000 1.511 242 S HN -0.719 7.562 8.310 0.055 0.061 0.604 243 G N 0.828 109.636 108.800 0.014 0.000 2.709 243 G HA2 0.131 nan 3.960 nan 0.000 0.208 243 G HA3 0.131 nan 3.960 nan 0.000 0.208 243 G C -0.944 173.962 174.900 0.009 0.000 1.129 243 G CA 0.141 45.250 45.100 0.015 0.000 0.793 243 G HN 0.229 8.524 8.290 0.008 0.000 0.524 244 L N 0.706 121.925 121.223 -0.006 0.000 2.425 244 L HA 0.044 nan 4.340 nan 0.000 0.225 244 L C -0.659 176.193 176.870 -0.030 0.000 1.222 244 L CA 0.617 55.444 54.840 -0.021 0.000 0.832 244 L CB 0.892 42.928 42.059 -0.037 0.000 1.238 244 L HN -0.754 7.471 8.230 -0.007 0.000 0.533 245 Q N -5.416 114.357 119.800 -0.046 0.000 2.534 245 Q HA 0.290 nan 4.340 nan 0.000 0.290 245 Q C -1.253 174.708 176.000 -0.065 0.000 0.991 245 Q CA -1.499 54.288 55.803 -0.027 0.000 0.783 245 Q CB 2.769 31.541 28.738 0.056 0.000 1.470 245 Q HN -0.209 8.032 8.270 -0.048 0.000 0.406 246 Y N 0.430 120.732 120.300 0.003 0.000 2.802 246 Y HA -0.308 nan 4.550 nan 0.000 0.351 246 Y C -0.117 175.775 175.900 -0.014 0.000 1.237 246 Y CA 1.383 59.484 58.100 0.002 0.000 1.599 246 Y CB -1.092 37.367 38.460 -0.001 0.000 1.214 246 Y HN -0.285 8.156 8.280 0.267 0.000 0.520 247 A N 6.160 129.034 122.820 0.090 0.000 2.567 247 A HA -0.144 nan 4.320 nan 0.000 0.240 247 A C -1.322 176.293 177.584 0.052 0.000 1.053 247 A CA 0.786 52.850 52.037 0.046 0.000 0.755 247 A CB 0.470 19.489 19.000 0.032 0.000 0.978 247 A HN 0.275 8.457 8.150 0.052 0.000 0.507 248 S N 2.018 117.720 115.700 0.003 0.000 2.509 248 S HA 0.210 nan 4.470 nan 0.000 0.297 248 S C -0.317 174.285 174.600 0.004 0.000 1.118 248 S CA -1.370 56.823 58.200 -0.011 0.000 1.074 248 S CB 1.691 64.828 63.200 -0.106 0.000 1.038 248 S HN -0.135 8.163 8.310 -0.020 0.000 0.498 249 R N 3.198 123.730 120.500 0.054 0.000 2.298 249 R HA 0.383 nan 4.340 nan 0.000 0.310 249 R C -1.486 174.878 176.300 0.107 0.000 1.068 249 R CA -2.793 53.353 56.100 0.077 0.000 0.957 249 R CB 1.116 31.490 30.300 0.125 0.000 1.003 249 R HN 0.041 8.361 8.270 0.083 0.000 0.454 250 P HA -0.001 nan 4.420 nan 0.000 0.274 250 P C -1.188 176.322 177.300 0.350 0.000 1.231 250 P CA -0.485 62.749 63.100 0.223 0.000 0.790 250 P CB 0.612 32.463 31.700 0.251 0.000 0.951 251 E N 0.341 120.683 120.200 0.236 0.000 2.425 251 E HA -0.273 nan 4.350 nan 0.000 0.258 251 E C 0.596 177.223 176.600 0.044 0.000 1.151 251 E CA -0.110 56.386 56.400 0.161 0.000 0.958 251 E CB -0.192 29.569 29.700 0.102 0.000 0.968 251 E HN -0.007 8.465 8.360 0.187 0.000 0.451 252 G N 0.254 109.013 108.800 -0.068 0.000 2.182 252 G HA2 -0.431 nan 3.960 nan 0.000 0.248 252 G HA3 -0.431 nan 3.960 nan 0.000 0.248 252 G C -1.563 172.896 174.900 -0.736 0.000 1.042 252 G CA 0.173 45.096 45.100 -0.294 0.000 0.775 252 G HN 0.051 8.355 8.290 0.022 0.000 0.501 253 Y N -0.890 119.475 120.300 0.109 0.000 2.341 253 Y HA 0.127 nan 4.550 nan 0.000 0.338 253 Y C -1.194 174.804 175.900 0.162 0.000 0.965 253 Y CA -1.978 56.205 58.100 0.139 0.000 1.108 253 Y CB 1.936 40.478 38.460 0.137 0.000 1.180 253 Y HN -0.889 7.409 8.280 0.029 0.000 0.458 254 S N 2.157 117.986 115.700 0.215 0.000 2.603 254 S HA 0.223 nan 4.470 nan 0.000 0.268 254 S C -1.019 173.749 174.600 0.280 0.000 1.317 254 S CA -0.773 57.539 58.200 0.187 0.000 1.012 254 S CB 0.944 64.174 63.200 0.050 0.000 0.926 254 S HN 0.549 8.958 8.310 0.164 0.000 0.539 255 I N 3.138 123.852 120.570 0.240 0.000 2.575 255 I HA -0.010 nan 4.170 nan 0.000 0.285 255 I C -1.603 174.616 176.117 0.171 0.000 1.085 255 I CA -0.433 61.032 61.300 0.275 0.000 1.403 255 I CB 0.966 39.195 38.000 0.382 0.000 1.409 255 I HN 0.033 8.374 8.210 0.219 0.000 0.557 256 H N 6.866 126.014 119.070 0.129 0.000 2.690 256 H HA 0.239 nan 4.556 nan 0.000 0.368 256 H C -1.342 174.025 175.328 0.065 0.000 1.150 256 H CA -1.147 54.956 56.048 0.092 0.000 1.174 256 H CB 3.086 32.903 29.762 0.091 0.000 1.684 256 H HN 0.373 8.838 8.280 0.307 0.000 0.538 257 D N 1.807 122.294 120.400 0.144 0.000 2.364 257 D HA 0.081 nan 4.640 nan 0.000 0.236 257 D C -0.869 175.479 176.300 0.081 0.000 1.221 257 D CA 1.138 55.175 54.000 0.062 0.000 0.891 257 D CB 0.537 41.344 40.800 0.013 0.000 1.190 257 D HN 0.107 8.548 8.370 0.119 0.000 0.449 258 L N -1.334 119.913 121.223 0.039 0.000 2.323 258 L HA 0.322 nan 4.340 nan 0.000 0.265 258 L C 0.403 177.301 176.870 0.047 0.000 1.012 258 L CA -1.234 53.649 54.840 0.072 0.000 0.820 258 L CB 2.385 44.505 42.059 0.101 0.000 1.334 258 L HN 0.246 8.469 8.230 -0.013 0.000 0.427 259 S N 1.074 116.824 115.700 0.083 0.000 2.465 259 S HA -0.317 nan 4.470 nan 0.000 0.241 259 S C -0.035 174.600 174.600 0.058 0.000 1.000 259 S CA 2.666 60.907 58.200 0.068 0.000 0.964 259 S CB -0.036 63.219 63.200 0.091 0.000 0.763 259 S HN 0.795 9.169 8.310 0.106 0.000 0.512 260 D N -0.478 119.960 120.400 0.063 0.000 2.429 260 D HA -0.046 nan 4.640 nan 0.000 0.242 260 D C -1.385 174.806 176.300 -0.182 0.000 1.076 260 D CA 0.885 54.874 54.000 -0.018 0.000 0.955 260 D CB 0.797 41.625 40.800 0.046 0.000 1.076 260 D HN 0.075 8.475 8.370 0.112 0.037 0.448 261 V N 0.159 119.894 119.914 -0.299 0.000 2.628 261 V HA 0.242 nan 4.120 nan 0.000 0.306 261 V C -1.426 174.505 176.094 -0.271 0.000 1.045 261 V CA -1.776 60.279 62.300 -0.408 0.000 0.905 261 V CB 2.790 34.164 31.823 -0.749 0.000 0.997 261 V HN -0.305 7.756 8.190 -0.216 0.000 0.436 262 D N 3.521 123.749 120.400 -0.287 0.000 2.341 262 D HA 0.051 nan 4.640 nan 0.000 0.245 262 D C 1.013 177.140 176.300 -0.289 0.000 1.106 262 D CA -0.068 53.792 54.000 -0.233 0.000 0.905 262 D CB 1.023 41.694 40.800 -0.216 0.000 1.202 262 D HN -0.033 8.146 8.370 -0.319 0.000 0.426 263 V N 0.530 120.322 119.914 -0.204 0.000 2.688 263 V HA -0.393 nan 4.120 nan 0.000 0.256 263 V C 1.751 177.592 176.094 -0.422 0.000 1.084 263 V CA 3.779 65.940 62.300 -0.231 0.000 1.103 263 V CB -0.898 30.859 31.823 -0.109 0.000 0.688 263 V HN 0.074 8.466 8.190 -0.145 -0.289 0.480 264 Q N -0.780 118.799 119.800 -0.368 0.000 2.123 264 Q HA -0.381 nan 4.340 nan 0.000 0.199 264 Q C 1.488 177.193 176.000 -0.491 0.000 0.966 264 Q CA 3.511 59.081 55.803 -0.389 0.000 0.845 264 Q CB -0.345 28.226 28.738 -0.278 0.000 0.907 264 Q HN 0.136 8.189 8.270 -0.291 0.043 0.439 265 D N 0.554 120.591 120.400 -0.605 0.000 2.234 265 D HA -0.165 nan 4.640 nan 0.000 0.205 265 D C 2.348 177.794 176.300 -1.423 0.000 0.962 265 D CA 2.910 56.364 54.000 -0.909 0.000 0.855 265 D CB 0.163 40.425 40.800 -0.896 0.000 0.951 265 D HN -0.310 7.825 8.370 -0.530 -0.083 0.500 266 M N -0.498 118.484 119.600 -1.030 0.000 2.080 266 M HA -0.327 nan 4.480 nan 0.000 0.260 266 M C 2.436 178.553 176.300 -0.304 0.000 1.068 266 M CA 3.230 58.248 55.300 -0.471 0.000 1.109 266 M CB -1.010 31.492 32.600 -0.164 0.000 1.342 266 M HN -0.405 7.379 8.290 -0.844 0.000 0.405 267 V N -0.525 119.074 119.914 -0.525 0.000 2.407 267 V HA -0.460 nan 4.120 nan 0.000 0.248 267 V C 2.365 178.316 176.094 -0.238 0.000 1.055 267 V CA 4.108 66.158 62.300 -0.417 0.000 1.049 267 V CB -1.108 30.425 31.823 -0.483 0.000 0.662 267 V HN -0.229 7.494 8.190 -0.615 0.098 0.455 268 R N -0.590 119.706 120.500 -0.341 0.000 2.070 268 R HA -0.323 nan 4.340 nan 0.000 0.233 268 R C 2.024 178.227 176.300 -0.161 0.000 1.137 268 R CA 3.825 59.759 56.100 -0.277 0.000 0.945 268 R CB -0.029 30.052 30.300 -0.366 0.000 0.845 268 R HN 0.188 7.992 8.270 -0.465 0.187 0.430 269 W N -1.873 119.326 121.300 -0.168 0.000 2.304 269 W HA -0.333 nan 4.660 nan 0.000 0.315 269 W C 2.380 178.849 176.519 -0.083 0.000 1.233 269 W CA 2.440 59.690 57.345 -0.158 0.000 1.261 269 W CB -1.006 28.424 29.460 -0.049 0.000 1.150 269 W HN 0.099 7.965 8.180 -0.523 0.000 0.494 270 R N -2.249 118.380 120.500 0.215 0.000 2.096 270 R HA -0.430 nan 4.340 nan 0.000 0.235 270 R C 2.035 178.362 176.300 0.045 0.000 1.127 270 R CA 3.626 59.808 56.100 0.137 0.000 0.968 270 R CB -0.257 30.179 30.300 0.228 0.000 0.861 270 R HN -0.494 7.899 8.270 0.216 0.006 0.440 271 E N -1.185 119.022 120.200 0.011 0.000 2.072 271 E HA -0.211 nan 4.350 nan 0.000 0.190 271 E C 2.706 179.293 176.600 -0.022 0.000 0.982 271 E CA 2.355 58.745 56.400 -0.016 0.000 0.803 271 E CB -0.696 28.983 29.700 -0.035 0.000 0.755 271 E HN -0.124 8.089 8.360 -0.003 0.145 0.453 272 R N -0.981 119.484 120.500 -0.058 0.000 2.152 272 R HA -0.238 nan 4.340 nan 0.000 0.232 272 R C 2.954 179.294 176.300 0.066 0.000 1.117 272 R CA 3.010 59.047 56.100 -0.104 0.000 0.981 272 R CB -0.162 29.813 30.300 -0.542 0.000 0.870 272 R HN 0.191 8.417 8.270 -0.075 0.000 0.451 273 I N 0.246 120.871 120.570 0.090 0.000 2.270 273 I HA -0.344 nan 4.170 nan 0.000 0.239 273 I C 1.362 177.446 176.117 -0.054 0.000 1.080 273 I CA 3.780 65.137 61.300 0.096 0.000 1.383 273 I CB 0.265 38.272 38.000 0.013 0.000 1.097 273 I HN -0.088 8.009 8.210 0.047 0.141 0.420 274 L N -1.934 119.242 121.223 -0.079 0.000 2.275 274 L HA -0.380 nan 4.340 nan 0.000 0.215 274 L C 2.266 179.065 176.870 -0.119 0.000 1.119 274 L CA 2.627 57.392 54.840 -0.125 0.000 0.790 274 L CB -1.108 40.891 42.059 -0.099 0.000 0.919 274 L HN -0.275 7.927 8.230 -0.047 0.000 0.443 275 D N 0.067 120.421 120.400 -0.076 0.000 2.078 275 D HA -0.283 nan 4.640 nan 0.000 0.193 275 D C 1.375 177.586 176.300 -0.148 0.000 0.990 275 D CA 3.480 57.432 54.000 -0.081 0.000 0.827 275 D CB -0.126 40.656 40.800 -0.030 0.000 0.975 275 D HN -0.145 8.199 8.370 -0.047 -0.002 0.451 276 A N -0.983 121.757 122.820 -0.133 0.000 2.093 276 A HA -0.296 nan 4.320 nan 0.000 0.222 276 A C 2.353 179.727 177.584 -0.350 0.000 1.162 276 A CA 2.754 54.640 52.037 -0.251 0.000 0.655 276 A CB -0.762 18.197 19.000 -0.068 0.000 0.805 276 A HN -0.685 7.449 8.150 -0.028 0.000 0.461 277 I N -2.649 117.713 120.570 -0.346 0.000 2.163 277 I HA -0.547 nan 4.170 nan 0.000 0.240 277 I C 1.372 177.122 176.117 -0.611 0.000 1.081 277 I CA 3.945 64.964 61.300 -0.468 0.000 1.353 277 I CB -0.466 37.315 38.000 -0.365 0.000 1.054 277 I HN -0.096 7.856 8.210 -0.269 0.096 0.407 278 N N -1.005 117.483 118.700 -0.354 0.000 2.104 278 N HA -0.259 nan 4.740 nan 0.000 0.190 278 N C 2.255 177.717 175.510 -0.081 0.000 1.024 278 N CA 2.900 55.829 53.050 -0.202 0.000 0.853 278 N CB -0.390 38.046 38.487 -0.086 0.000 1.008 278 N HN -0.769 7.389 8.380 -0.261 0.065 0.424 279 M N -1.996 117.507 119.600 -0.162 0.000 2.394 279 M HA -0.192 nan 4.480 nan 0.000 0.264 279 M C -0.796 175.509 176.300 0.009 0.000 1.073 279 M CA 2.522 57.753 55.300 -0.115 0.000 1.111 279 M CB 0.147 32.467 32.600 -0.466 0.000 1.401 279 M HN 0.359 8.511 8.290 -0.229 0.000 0.448 280 H N -7.416 111.585 119.070 -0.114 0.000 2.936 280 H HA -0.347 nan 4.556 nan 0.000 0.276 280 H C -1.395 173.999 175.328 0.111 0.000 1.216 280 H CA 1.066 57.133 56.048 0.032 0.000 1.132 280 H CB -3.011 26.835 29.762 0.140 0.000 1.303 280 H HN -0.643 7.121 8.280 -0.440 0.251 0.370 281 Y N -7.372 112.967 120.300 0.065 0.000 2.670 281 Y HA 0.864 nan 4.550 nan 0.000 0.334 281 Y C -2.992 172.930 175.900 0.038 0.000 1.185 281 Y CA -2.348 55.788 58.100 0.060 0.000 1.053 281 Y CB 2.936 41.444 38.460 0.079 0.000 1.298 281 Y HN -0.464 7.573 8.280 -0.405 0.000 0.459 282 I N -4.878 115.897 120.570 0.341 0.000 2.647 282 I HA 0.600 nan 4.170 nan 0.000 0.295 282 I C -1.529 174.778 176.117 0.316 0.000 1.078 282 I CA -1.957 59.512 61.300 0.282 0.000 1.048 282 I CB 3.711 41.738 38.000 0.044 0.000 1.239 282 I HN 0.043 8.456 8.210 0.338 0.000 0.421 283 V N -1.886 118.234 119.914 0.343 0.000 2.348 283 V HA 0.398 nan 4.120 nan 0.000 0.270 283 V C -0.544 175.665 176.094 0.190 0.000 1.037 283 V CA -2.580 59.830 62.300 0.182 0.000 0.872 283 V CB -0.552 31.293 31.823 0.036 0.000 1.002 283 V HN -0.106 8.375 8.190 0.486 0.000 0.464 284 D N 8.976 129.448 120.400 0.121 0.000 2.398 284 D HA 0.215 nan 4.640 nan 0.000 0.247 284 D C 1.104 177.445 176.300 0.069 0.000 1.227 284 D CA -1.027 53.036 54.000 0.105 0.000 0.980 284 D CB 1.022 41.861 40.800 0.065 0.000 1.106 284 D HN -0.342 8.085 8.370 0.095 0.000 0.493 285 K N -0.248 120.189 120.400 0.062 0.000 2.589 285 K HA -0.289 nan 4.320 nan 0.000 0.195 285 K C 0.091 176.701 176.600 0.017 0.000 1.040 285 K CA 2.353 58.663 56.287 0.038 0.000 0.950 285 K CB -0.713 31.811 32.500 0.040 0.000 0.781 285 K HN 0.524 8.818 8.250 0.074 0.000 0.486 286 D N -5.473 114.934 120.400 0.012 0.000 2.379 286 D HA -0.008 nan 4.640 nan 0.000 0.208 286 D C -0.156 176.137 176.300 -0.011 0.000 1.065 286 D CA -0.672 53.328 54.000 0.000 0.000 0.848 286 D CB -0.336 40.464 40.800 0.001 0.000 0.949 286 D HN -0.538 7.770 8.370 0.020 0.074 0.509 287 N N -3.567 115.123 118.700 -0.016 0.000 2.994 287 N HA -0.415 nan 4.740 nan 0.000 0.221 287 N C -1.158 174.333 175.510 -0.031 0.000 0.900 287 N CA 1.522 54.551 53.050 -0.035 0.000 1.008 287 N CB -1.576 36.884 38.487 -0.046 0.000 1.053 287 N HN 0.438 8.698 8.380 -0.004 0.117 0.580 288 N N 1.901 120.590 118.700 -0.018 0.000 2.488 288 N HA 0.040 nan 4.740 nan 0.000 0.274 288 N C -0.942 174.555 175.510 -0.022 0.000 1.111 288 N CA 0.437 53.469 53.050 -0.030 0.000 0.974 288 N CB 1.041 39.514 38.487 -0.022 0.000 1.089 288 N HN -0.458 8.180 8.380 -0.007 -0.262 0.465 289 K N 2.598 122.951 120.400 -0.078 0.000 2.315 289 K HA 0.197 nan 4.320 nan 0.000 0.291 289 K C -0.248 176.336 176.600 -0.027 0.000 1.074 289 K CA -0.262 55.965 56.287 -0.099 0.000 0.936 289 K CB -0.530 31.719 32.500 -0.418 0.000 1.049 289 K HN 0.172 8.358 8.250 -0.108 0.000 0.471 290 I N 0.833 121.436 120.570 0.054 0.000 2.488 290 I HA 0.548 nan 4.170 nan 0.000 0.299 290 I C -2.042 174.146 176.117 0.118 0.000 0.984 290 I CA -3.339 57.997 61.300 0.060 0.000 1.250 290 I CB 0.993 39.019 38.000 0.044 0.000 1.389 290 I HN 0.282 8.542 8.210 0.084 0.000 0.488 291 P HA 0.100 nan 4.420 nan 0.000 0.271 291 P C -0.720 176.706 177.300 0.210 0.000 1.216 291 P CA -0.184 63.025 63.100 0.182 0.000 0.771 291 P CB 0.123 31.915 31.700 0.153 0.000 0.864 292 L N 5.590 126.965 121.223 0.254 0.000 2.391 292 L HA -0.051 nan 4.340 nan 0.000 0.249 292 L C -0.553 176.597 176.870 0.468 0.000 1.308 292 L CA -0.838 54.186 54.840 0.307 0.000 1.209 292 L CB -1.347 40.789 42.059 0.128 0.000 1.401 292 L HN 0.269 8.579 8.230 0.283 0.090 0.416 293 D N 3.106 123.711 120.400 0.340 0.000 2.354 293 D HA -0.098 nan 4.640 nan 0.000 0.238 293 D C 1.012 177.373 176.300 0.101 0.000 1.250 293 D CA 0.134 54.271 54.000 0.227 0.000 0.911 293 D CB 2.131 43.066 40.800 0.226 0.000 1.163 293 D HN -0.345 8.134 8.370 0.296 0.069 0.456 294 I N -0.049 120.366 120.570 -0.258 0.000 2.113 294 I HA -0.477 nan 4.170 nan 0.000 0.238 294 I C 1.611 177.379 176.117 -0.582 0.000 1.070 294 I CA 3.557 64.307 61.300 -0.917 0.000 1.332 294 I CB 0.147 37.717 38.000 -0.717 0.000 1.044 294 I HN 0.122 8.241 8.210 -0.152 0.000 0.402 295 E N -1.933 118.038 120.200 -0.381 0.000 2.001 295 E HA -0.358 nan 4.350 nan 0.000 0.193 295 E C 2.913 179.353 176.600 -0.268 0.000 0.994 295 E CA 2.899 59.067 56.400 -0.386 0.000 0.815 295 E CB -0.085 29.236 29.700 -0.631 0.000 0.770 295 E HN -0.614 7.667 8.360 -0.333 -0.120 0.453 296 H N -1.090 118.001 119.070 0.035 0.000 2.421 296 H HA -0.183 nan 4.556 nan 0.000 0.298 296 H C 2.560 177.975 175.328 0.144 0.000 1.087 296 H CA 2.701 58.795 56.048 0.077 0.000 1.330 296 H CB -0.353 29.448 29.762 0.065 0.000 1.388 296 H HN 0.082 8.452 8.280 -0.452 -0.361 0.526 297 G N -1.653 107.335 108.800 0.314 0.000 2.550 297 G HA2 -0.468 nan 3.960 nan 0.000 0.222 297 G HA3 -0.468 nan 3.960 nan 0.000 0.222 297 G C 0.770 175.909 174.900 0.397 0.000 1.113 297 G CA 2.489 47.867 45.100 0.463 0.000 0.748 297 G HN -0.211 8.198 8.290 0.259 0.036 0.585 298 T N 2.211 116.962 114.554 0.327 0.000 3.035 298 T HA -0.078 nan 4.350 nan 0.000 0.259 298 T C 1.764 176.605 174.700 0.234 0.000 1.078 298 T CA 3.772 66.042 62.100 0.283 0.000 1.132 298 T CB -0.302 68.675 68.868 0.181 0.000 0.900 298 T HN -0.714 7.627 8.240 0.257 0.053 0.480 299 D N 2.851 123.362 120.400 0.185 0.000 2.123 299 D HA -0.091 nan 4.640 nan 0.000 0.200 299 D C 1.305 177.698 176.300 0.154 0.000 0.976 299 D CA 2.923 57.018 54.000 0.159 0.000 0.831 299 D CB 0.006 40.886 40.800 0.132 0.000 0.974 299 D HN -0.112 8.364 8.370 0.178 0.000 0.469 300 I N -4.061 116.596 120.570 0.146 0.000 2.928 300 I HA -0.055 nan 4.170 nan 0.000 0.266 300 I C 1.605 177.738 176.117 0.027 0.000 1.234 300 I CA 2.682 64.032 61.300 0.084 0.000 1.483 300 I CB -0.015 38.031 38.000 0.077 0.000 1.097 300 I HN -0.397 7.918 8.210 0.175 0.000 0.455 301 L N 0.846 122.113 121.223 0.074 0.000 2.162 301 L HA 0.004 nan 4.340 nan 0.000 0.205 301 L C 1.375 178.339 176.870 0.156 0.000 1.086 301 L CA 2.115 56.952 54.840 -0.005 0.000 0.778 301 L CB -0.053 41.990 42.059 -0.026 0.000 0.928 301 L HN 0.213 8.435 8.230 0.153 0.100 0.446 302 G N -1.605 107.445 108.800 0.417 0.000 2.402 302 G HA2 -0.416 nan 3.960 nan 0.000 0.216 302 G HA3 -0.416 nan 3.960 nan 0.000 0.216 302 G C 0.744 175.805 174.900 0.269 0.000 1.162 302 G CA 2.493 47.959 45.100 0.609 0.000 0.777 302 G HN -0.052 8.359 8.290 0.373 0.104 0.539 303 D N 0.871 121.342 120.400 0.118 0.000 2.097 303 D HA -0.324 nan 4.640 nan 0.000 0.195 303 D C 2.137 178.418 176.300 -0.032 0.000 0.989 303 D CA 2.819 56.821 54.000 0.003 0.000 0.827 303 D CB -0.720 40.094 40.800 0.022 0.000 0.966 303 D HN 0.162 8.619 8.370 0.144 0.000 0.456 304 I N -0.319 120.237 120.570 -0.024 0.000 2.127 304 I HA -0.403 nan 4.170 nan 0.000 0.241 304 I C 1.649 177.742 176.117 -0.041 0.000 1.075 304 I CA 3.420 64.683 61.300 -0.061 0.000 1.334 304 I CB 0.080 37.958 38.000 -0.204 0.000 1.040 304 I HN -0.932 7.272 8.210 -0.011 0.000 0.405 305 I N -2.016 118.541 120.570 -0.023 0.000 2.394 305 I HA -0.359 nan 4.170 nan 0.000 0.251 305 I C 1.160 177.345 176.117 0.113 0.000 1.136 305 I CA 1.814 63.133 61.300 0.031 0.000 1.425 305 I CB -0.228 37.747 38.000 -0.041 0.000 1.079 305 I HN -0.155 8.041 8.210 -0.024 0.000 0.425 306 E N -0.133 120.062 120.200 -0.008 0.000 2.023 306 E HA -0.285 nan 4.350 nan 0.000 0.196 306 E C -0.039 176.577 176.600 0.026 0.000 1.003 306 E CA 3.371 59.681 56.400 -0.150 0.000 0.809 306 E CB 0.143 29.419 29.700 -0.707 0.000 0.755 306 E HN -0.426 7.876 8.360 -0.056 0.024 0.449 307 S N -3.711 111.961 115.700 -0.047 0.000 2.687 307 S HA 0.317 nan 4.470 nan 0.000 0.283 307 S C -0.252 174.297 174.600 -0.085 0.000 1.170 307 S CA -0.499 57.661 58.200 -0.067 0.000 1.008 307 S CB 1.772 64.943 63.200 -0.048 0.000 1.026 307 S HN -0.501 7.768 8.310 -0.068 0.000 0.541 308 S N 0.363 116.020 115.700 -0.071 0.000 2.738 308 S HA 0.231 nan 4.470 nan 0.000 0.284 308 S C 1.451 176.034 174.600 -0.029 0.000 1.146 308 S CA -0.314 57.856 58.200 -0.049 0.000 0.997 308 S CB 1.815 64.996 63.200 -0.031 0.000 1.081 308 S HN 0.412 8.592 8.310 -0.062 0.094 0.553 309 D N 3.416 123.800 120.400 -0.028 0.000 2.149 309 D HA -0.209 nan 4.640 nan 0.000 0.198 309 D C 1.034 177.330 176.300 -0.007 0.000 0.990 309 D CA 3.150 57.134 54.000 -0.026 0.000 0.839 309 D CB -0.079 40.688 40.800 -0.056 0.000 0.948 309 D HN 0.561 8.909 8.370 -0.037 0.000 0.460 310 E N -2.122 118.082 120.200 0.007 0.000 2.510 310 E HA -0.181 nan 4.350 nan 0.000 0.202 310 E C -0.391 176.220 176.600 0.018 0.000 1.072 310 E CA 0.809 57.221 56.400 0.021 0.000 0.883 310 E CB -0.367 29.357 29.700 0.040 0.000 0.818 310 E HN 0.173 8.542 8.360 0.015 0.000 0.548 311 S N -0.052 115.655 115.700 0.012 0.000 2.429 311 S HA -0.088 nan 4.470 nan 0.000 0.292 311 S C 0.069 174.701 174.600 0.054 0.000 1.183 311 S CA -0.142 58.071 58.200 0.023 0.000 1.088 311 S CB 0.003 63.214 63.200 0.018 0.000 1.018 311 S HN -0.635 7.466 8.310 0.003 0.210 0.511 312 K N 4.834 125.269 120.400 0.059 0.000 2.113 312 K HA -0.273 nan 4.320 nan 0.000 0.208 312 K C -0.610 176.074 176.600 0.141 0.000 1.047 312 K CA 2.479 58.815 56.287 0.082 0.000 0.928 312 K CB 0.138 32.679 32.500 0.069 0.000 0.716 312 K HN -0.134 8.137 8.250 0.035 0.000 0.446 313 N N -4.634 114.214 118.700 0.247 0.000 2.249 313 N HA 0.167 nan 4.740 nan 0.000 0.296 313 N C -0.264 175.385 175.510 0.231 0.000 1.051 313 N CA -1.076 52.132 53.050 0.264 0.000 0.815 313 N CB 2.322 41.002 38.487 0.321 0.000 1.487 313 N HN -0.460 8.088 8.380 0.280 0.000 0.475 314 V N -1.409 118.571 119.914 0.110 0.000 2.690 314 V HA 0.298 nan 4.120 nan 0.000 0.240 314 V C 1.205 177.287 176.094 -0.021 0.000 1.078 314 V CA 1.830 64.151 62.300 0.035 0.000 1.102 314 V CB 0.573 32.417 31.823 0.035 0.000 0.800 314 V HN 0.430 8.682 8.190 0.102 0.000 0.479 315 E N 1.567 121.794 120.200 0.044 0.000 2.107 315 E HA -0.361 nan 4.350 nan 0.000 0.191 315 E C 1.742 178.408 176.600 0.109 0.000 0.982 315 E CA 2.801 59.254 56.400 0.088 0.000 0.809 315 E CB -0.347 29.422 29.700 0.116 0.000 0.756 315 E HN -0.282 8.257 8.360 0.071 -0.136 0.459 316 Y N 0.742 120.980 120.300 -0.104 0.000 2.206 316 Y HA -0.312 nan 4.550 nan 0.000 0.292 316 Y C 2.051 177.715 175.900 -0.392 0.000 1.123 316 Y CA 4.441 62.391 58.100 -0.250 0.000 1.142 316 Y CB 0.692 38.887 38.460 -0.442 0.000 1.006 316 Y HN -0.327 8.295 8.280 0.117 -0.272 0.518 317 Y N -3.926 116.287 120.300 -0.146 0.000 2.462 317 Y HA -0.023 nan 4.550 nan 0.000 0.261 317 Y C -0.132 175.349 175.900 -0.698 0.000 1.146 317 Y CA 0.655 58.588 58.100 -0.279 0.000 1.283 317 Y CB 0.267 38.654 38.460 -0.120 0.000 1.090 317 Y HN -0.300 7.892 8.280 -0.146 0.000 0.526 318 G N 0.210 108.380 108.800 -1.049 0.000 2.553 318 G HA2 -0.380 nan 3.960 nan 0.000 0.242 318 G HA3 -0.380 nan 3.960 nan 0.000 0.242 318 G C -1.542 173.011 174.900 -0.580 0.000 1.277 318 G CA 0.105 44.168 45.100 -1.728 0.000 0.910 318 G HN -0.312 7.508 8.290 -0.622 0.097 0.576 319 S N 0.432 115.952 115.700 -0.300 0.000 2.399 319 S HA 0.225 nan 4.470 nan 0.000 0.198 319 S C 0.133 174.842 174.600 0.181 0.000 1.294 319 S CA -1.344 56.847 58.200 -0.014 0.000 1.237 319 S CB 0.796 63.911 63.200 -0.141 0.000 1.286 319 S HN 0.121 8.213 8.310 -0.363 0.000 0.404 320 L N 6.270 127.626 121.223 0.221 0.000 2.081 320 L HA -0.419 nan 4.340 nan 0.000 0.212 320 L C 0.351 177.597 176.870 0.627 0.000 1.080 320 L CA 3.291 58.441 54.840 0.516 0.000 0.754 320 L CB -0.337 42.007 42.059 0.475 0.000 0.893 320 L HN -0.138 8.158 8.230 0.109 0.000 0.433 321 H N -0.386 118.938 119.070 0.424 0.000 2.253 321 H HA -0.440 nan 4.556 nan 0.000 0.296 321 H C 2.046 177.457 175.328 0.138 0.000 1.074 321 H CA 4.529 60.855 56.048 0.464 0.000 1.263 321 H CB -0.211 29.780 29.762 0.382 0.000 1.363 321 H HN -0.001 8.533 8.280 0.455 0.018 0.489 322 N N -0.251 118.182 118.700 -0.445 0.000 2.084 322 N HA -0.340 nan 4.740 nan 0.000 0.190 322 N C 2.179 177.343 175.510 -0.576 0.000 1.030 322 N CA 2.663 55.245 53.050 -0.781 0.000 0.849 322 N CB -0.632 37.562 38.487 -0.488 0.000 1.012 322 N HN -0.402 7.962 8.380 -0.027 0.000 0.423 323 W N -0.938 120.259 121.300 -0.171 0.000 2.335 323 W HA -0.304 nan 4.660 nan 0.000 0.311 323 W C 1.898 178.299 176.519 -0.196 0.000 1.213 323 W CA 3.033 60.340 57.345 -0.062 0.000 1.274 323 W CB -0.095 29.480 29.460 0.193 0.000 1.148 323 W HN 0.353 8.496 8.180 -0.062 0.000 0.498 324 G N -3.266 105.423 108.800 -0.184 0.000 2.469 324 G HA2 -0.463 nan 3.960 nan 0.000 0.220 324 G HA3 -0.463 nan 3.960 nan 0.000 0.220 324 G C 1.131 175.504 174.900 -0.879 0.000 1.136 324 G CA 2.200 46.738 45.100 -0.937 0.000 0.759 324 G HN 0.184 8.494 8.290 0.034 0.000 0.562 325 H N 1.563 120.109 119.070 -0.874 0.000 2.353 325 H HA -0.294 nan 4.556 nan 0.000 0.300 325 H C 2.397 177.522 175.328 -0.337 0.000 1.090 325 H CA 3.577 59.225 56.048 -0.666 0.000 1.327 325 H CB 0.239 29.401 29.762 -1.000 0.000 1.383 325 H HN -0.602 7.169 8.280 -0.639 0.125 0.508 326 V N -1.458 118.401 119.914 -0.093 0.000 2.220 326 V HA -0.489 nan 4.120 nan 0.000 0.246 326 V C 2.057 178.175 176.094 0.040 0.000 1.049 326 V CA 3.820 66.151 62.300 0.052 0.000 1.003 326 V CB -0.851 31.071 31.823 0.165 0.000 0.634 326 V HN -0.372 7.636 8.190 -0.145 0.096 0.444 327 M N -2.597 117.025 119.600 0.038 0.000 2.144 327 M HA -0.421 nan 4.480 nan 0.000 0.260 327 M C 2.253 178.537 176.300 -0.026 0.000 1.067 327 M CA 3.511 58.836 55.300 0.041 0.000 1.095 327 M CB -0.285 32.364 32.600 0.082 0.000 1.365 327 M HN -0.771 7.562 8.290 0.071 0.000 0.406 328 M N -3.072 116.428 119.600 -0.167 0.000 2.562 328 M HA -0.120 nan 4.480 nan 0.000 0.257 328 M C 0.735 176.981 176.300 -0.089 0.000 1.099 328 M CA 2.392 57.574 55.300 -0.197 0.000 1.099 328 M CB 0.291 32.650 32.600 -0.402 0.000 1.427 328 M HN -0.038 8.096 8.290 -0.260 0.000 0.489 329 A N -1.556 121.240 122.820 -0.040 0.000 2.070 329 A HA 0.120 nan 4.320 nan 0.000 0.202 329 A C 0.218 177.835 177.584 0.055 0.000 1.277 329 A CA 1.890 53.943 52.037 0.026 0.000 0.872 329 A CB 0.830 19.870 19.000 0.066 0.000 0.933 329 A HN 0.108 8.049 8.150 -0.042 0.184 0.475 330 N N -1.303 117.429 118.700 0.052 0.000 2.346 330 N HA -0.060 nan 4.740 nan 0.000 0.225 330 N C 1.402 176.945 175.510 0.054 0.000 1.144 330 N CA -0.389 52.696 53.050 0.059 0.000 0.837 330 N CB -0.960 37.561 38.487 0.057 0.000 1.069 330 N HN 0.285 8.694 8.380 0.048 0.000 0.487 331 I N -1.491 119.109 120.570 0.051 0.000 2.850 331 I HA -0.238 nan 4.170 nan 0.000 0.266 331 I C 0.295 176.405 176.117 -0.012 0.000 1.257 331 I CA 1.688 63.025 61.300 0.062 0.000 1.465 331 I CB -0.138 37.912 38.000 0.084 0.000 1.091 331 I HN -0.173 7.940 8.210 0.047 0.125 0.467 332 T N -0.489 114.050 114.554 -0.024 0.000 3.009 332 T HA -0.058 nan 4.350 nan 0.000 0.258 332 T C -1.138 173.533 174.700 -0.049 0.000 1.063 332 T CA 1.244 63.299 62.100 -0.074 0.000 1.139 332 T CB 0.709 69.563 68.868 -0.024 0.000 0.890 332 T HN 0.022 8.210 8.240 0.016 0.062 0.471 333 D N -1.467 118.939 120.400 0.009 0.000 3.117 333 D HA 0.422 nan 4.640 nan 0.000 0.241 333 D C -2.153 174.209 176.300 0.103 0.000 1.385 333 D CA -1.393 52.647 54.000 0.067 0.000 0.855 333 D CB 0.704 41.602 40.800 0.163 0.000 1.498 333 D HN -0.310 7.885 8.370 0.010 0.181 0.584 334 P HA -0.140 nan 4.420 nan 0.000 0.215 334 P C 0.853 178.208 177.300 0.092 0.000 1.157 334 P CA 1.805 64.954 63.100 0.082 0.000 0.856 334 P CB 0.123 31.873 31.700 0.084 0.000 0.786 335 D N -1.631 118.794 120.400 0.043 0.000 2.158 335 D HA -0.274 nan 4.640 nan 0.000 0.197 335 D C 0.550 176.870 176.300 0.034 0.000 0.995 335 D CA 1.995 56.001 54.000 0.011 0.000 0.846 335 D CB -0.236 40.529 40.800 -0.059 0.000 0.941 335 D HN 0.290 8.667 8.370 0.013 0.000 0.456 336 H N -3.320 115.695 119.070 -0.092 0.000 3.237 336 H HA -0.332 nan 4.556 nan 0.000 0.231 336 H C 0.991 176.246 175.328 -0.123 0.000 1.148 336 H CA 1.209 57.208 56.048 -0.081 0.000 1.155 336 H CB -0.978 28.748 29.762 -0.060 0.000 1.210 336 H HN -0.406 8.067 8.280 0.042 -0.169 0.317 337 R N -1.519 118.776 120.500 -0.343 0.000 2.174 337 R HA -0.325 nan 4.340 nan 0.000 0.253 337 R C 0.518 176.528 176.300 -0.483 0.000 1.165 337 R CA 2.734 58.542 56.100 -0.486 0.000 0.984 337 R CB -0.832 29.030 30.300 -0.728 0.000 0.873 337 R HN -0.218 7.944 8.270 -0.265 -0.051 0.456 338 F N -4.567 115.236 119.950 -0.245 0.000 2.721 338 F HA 0.157 nan 4.527 nan 0.000 0.301 338 F C -0.830 174.818 175.800 -0.253 0.000 1.096 338 F CA -1.633 56.248 58.000 -0.198 0.000 1.308 338 F CB 0.270 39.194 39.000 -0.127 0.000 1.086 338 F HN -0.845 7.451 8.300 -0.386 -0.228 0.587 339 Q N -4.877 114.688 119.800 -0.392 0.000 2.460 339 Q HA -0.351 nan 4.340 nan 0.000 0.248 339 Q C -0.263 175.722 176.000 -0.025 0.000 0.847 339 Q CA 1.186 56.768 55.803 -0.368 0.000 1.214 339 Q CB -1.796 26.858 28.738 -0.140 0.000 1.523 339 Q HN -0.494 7.417 8.270 -0.739 -0.084 0.602 340 E N 0.229 120.461 120.200 0.053 0.000 2.414 340 E HA -0.137 nan 4.350 nan 0.000 0.263 340 E C -0.614 176.079 176.600 0.156 0.000 1.000 340 E CA 0.485 56.946 56.400 0.103 0.000 0.914 340 E CB 0.591 30.347 29.700 0.095 0.000 0.948 340 E HN -0.517 7.792 8.360 -0.001 0.051 0.444 341 N N 5.706 124.432 118.700 0.043 0.000 2.438 341 N HA 0.194 nan 4.740 nan 0.000 0.267 341 N C -2.010 173.505 175.510 0.009 0.000 1.222 341 N CA -1.527 51.502 53.050 -0.035 0.000 0.930 341 N CB -0.760 37.600 38.487 -0.212 0.000 1.083 341 N HN 0.249 8.634 8.380 0.009 0.000 0.476 342 P HA -0.069 nan 4.420 nan 0.000 0.271 342 P C -0.412 177.009 177.300 0.202 0.000 1.238 342 P CA -0.017 63.145 63.100 0.103 0.000 0.794 342 P CB 0.661 32.405 31.700 0.073 0.000 0.959 343 G N -0.990 107.909 108.800 0.164 0.000 2.432 343 G HA2 -0.095 nan 3.960 nan 0.000 0.239 343 G HA3 -0.095 nan 3.960 nan 0.000 0.239 343 G C 1.163 176.171 174.900 0.180 0.000 1.291 343 G CA -0.703 44.498 45.100 0.169 0.000 0.863 343 G HN 0.039 8.399 8.290 0.118 0.000 0.560 344 V N -1.731 118.244 119.914 0.102 0.000 3.099 344 V HA -0.417 nan 4.120 nan 0.000 0.269 344 V C 1.339 177.455 176.094 0.036 0.000 1.150 344 V CA 2.030 64.305 62.300 -0.041 0.000 1.165 344 V CB -0.822 30.871 31.823 -0.217 0.000 0.756 344 V HN 0.644 8.889 8.190 0.090 0.000 0.527 345 M N 0.785 120.448 119.600 0.106 0.000 2.562 345 M HA -0.085 nan 4.480 nan 0.000 0.257 345 M C 1.326 177.894 176.300 0.445 0.000 1.099 345 M CA 1.236 56.662 55.300 0.209 0.000 1.099 345 M CB -0.921 31.698 32.600 0.032 0.000 1.427 345 M HN -0.190 8.055 8.290 0.093 0.101 0.489 346 S N -0.572 115.330 115.700 0.337 0.000 2.481 346 S HA -0.164 nan 4.470 nan 0.000 0.231 346 S C -0.543 174.197 174.600 0.234 0.000 0.996 346 S CA 2.550 60.973 58.200 0.371 0.000 0.942 346 S CB -0.208 63.104 63.200 0.186 0.000 0.768 346 S HN -0.297 8.100 8.310 0.237 0.055 0.520 347 D N -1.644 118.890 120.400 0.223 0.000 2.490 347 D HA 0.197 nan 4.640 nan 0.000 0.232 347 D C -0.515 175.954 176.300 0.282 0.000 1.053 347 D CA -0.855 53.223 54.000 0.131 0.000 0.914 347 D CB 2.668 43.562 40.800 0.156 0.000 1.431 347 D HN -0.949 7.524 8.370 0.266 0.056 0.483 348 T N 1.270 116.023 114.554 0.331 0.000 3.014 348 T HA 0.095 nan 4.350 nan 0.000 0.263 348 T C 1.557 176.541 174.700 0.474 0.000 1.078 348 T CA 2.783 65.203 62.100 0.533 0.000 1.135 348 T CB -0.402 68.743 68.868 0.462 0.000 0.895 348 T HN 0.508 8.941 8.240 0.321 0.000 0.480 349 S N 0.995 116.900 115.700 0.342 0.000 2.406 349 S HA -0.135 nan 4.470 nan 0.000 0.228 349 S C 1.300 175.719 174.600 -0.302 0.000 1.020 349 S CA 3.139 61.358 58.200 0.032 0.000 0.965 349 S CB -0.069 63.074 63.200 -0.095 0.000 0.798 349 S HN -0.370 8.623 8.310 0.445 -0.416 0.488 350 T N -1.577 112.825 114.554 -0.254 0.000 2.939 350 T HA 0.217 nan 4.350 nan 0.000 0.254 350 T C 2.204 176.678 174.700 -0.376 0.000 1.041 350 T CA 2.387 64.260 62.100 -0.378 0.000 1.142 350 T CB 0.019 68.644 68.868 -0.405 0.000 0.874 350 T HN -0.334 8.114 8.240 -0.107 -0.272 0.452 351 S N 4.143 119.672 115.700 -0.285 0.000 2.570 351 S HA -0.474 nan 4.470 nan 0.000 0.300 351 S C 1.421 175.413 174.600 -1.014 0.000 1.224 351 S CA 3.161 61.097 58.200 -0.439 0.000 1.103 351 S CB -1.316 61.805 63.200 -0.132 0.000 1.009 351 S HN -0.016 8.225 8.310 -0.115 0.000 0.458 352 L N -0.119 120.447 121.223 -1.095 0.000 2.567 352 L HA 0.107 nan 4.340 nan 0.000 0.225 352 L C 1.367 177.882 176.870 -0.591 0.000 1.119 352 L CA 1.133 55.232 54.840 -1.234 0.000 0.871 352 L CB -0.225 41.259 42.059 -0.959 0.000 1.036 352 L HN -0.666 7.035 8.230 -0.802 0.048 0.459 353 R N -0.319 119.913 120.500 -0.446 0.000 2.062 353 R HA -0.239 nan 4.340 nan 0.000 0.229 353 R C 0.024 175.984 176.300 -0.566 0.000 1.128 353 R CA 2.413 58.335 56.100 -0.297 0.000 0.960 353 R CB -0.504 29.748 30.300 -0.079 0.000 0.855 353 R HN -0.737 7.202 8.270 -0.474 0.047 0.432 354 D N 1.091 121.128 120.400 -0.605 0.000 2.382 354 D HA 0.208 nan 4.640 nan 0.000 0.259 354 D C -0.758 175.336 176.300 -0.343 0.000 1.224 354 D CA -2.570 51.014 54.000 -0.692 0.000 0.894 354 D CB 0.341 40.996 40.800 -0.241 0.000 1.127 354 D HN -0.537 7.577 8.370 -0.426 0.000 0.487 355 P HA -0.186 nan 4.420 nan 0.000 0.217 355 P C 0.779 178.158 177.300 0.132 0.000 1.148 355 P CA 2.205 65.327 63.100 0.036 0.000 0.828 355 P CB -0.013 31.710 31.700 0.039 0.000 0.783 356 I N -5.307 115.286 120.570 0.038 0.000 2.567 356 I HA -0.405 nan 4.170 nan 0.000 0.257 356 I C 1.007 177.118 176.117 -0.009 0.000 1.184 356 I CA 2.318 63.636 61.300 0.031 0.000 1.451 356 I CB -0.746 37.237 38.000 -0.028 0.000 1.089 356 I HN -0.859 7.321 8.210 -0.013 0.022 0.441 357 F N 2.237 122.011 119.950 -0.293 0.000 2.085 357 F HA -0.592 nan 4.527 nan 0.000 0.299 357 F C 0.643 176.071 175.800 -0.620 0.000 1.096 357 F CA 4.577 62.237 58.000 -0.566 0.000 1.227 357 F CB 0.039 38.507 39.000 -0.888 0.000 0.983 357 F HN -0.363 7.800 8.300 -0.012 0.129 0.482 358 Y N -5.270 114.926 120.300 -0.174 0.000 2.395 358 Y HA -0.343 nan 4.550 nan 0.000 0.293 358 Y C 1.890 177.806 175.900 0.026 0.000 1.123 358 Y CA 3.035 61.039 58.100 -0.160 0.000 1.227 358 Y CB -0.626 37.744 38.460 -0.151 0.000 1.012 358 Y HN -0.691 7.509 8.280 -0.108 0.015 0.552 359 R N 0.838 121.454 120.500 0.193 0.000 2.073 359 R HA -0.395 nan 4.340 nan 0.000 0.234 359 R C 2.178 178.623 176.300 0.243 0.000 1.134 359 R CA 3.646 59.877 56.100 0.218 0.000 0.952 359 R CB -0.390 30.035 30.300 0.208 0.000 0.850 359 R HN -0.345 7.864 8.270 0.152 0.152 0.433 360 W N -1.577 119.751 121.300 0.048 0.000 2.425 360 W HA -0.204 nan 4.660 nan 0.000 0.277 360 W C 0.775 177.446 176.519 0.254 0.000 1.231 360 W CA 3.640 61.066 57.345 0.136 0.000 1.248 360 W CB 0.216 29.649 29.460 -0.045 0.000 1.117 360 W HN -0.265 8.055 8.180 0.232 0.000 0.568 361 H N -1.758 117.303 119.070 -0.016 0.000 2.525 361 H HA 0.039 nan 4.556 nan 0.000 0.275 361 H C 2.890 178.235 175.328 0.028 0.000 0.984 361 H CA 2.859 58.880 56.048 -0.045 0.000 1.264 361 H CB 0.096 29.737 29.762 -0.203 0.000 1.432 361 H HN -0.583 7.684 8.280 0.296 0.191 0.549 362 R N -0.014 120.604 120.500 0.197 0.000 2.119 362 R HA -0.187 nan 4.340 nan 0.000 0.222 362 R C 1.689 178.059 176.300 0.117 0.000 1.088 362 R CA 1.856 58.054 56.100 0.164 0.000 0.984 362 R CB -0.883 29.523 30.300 0.177 0.000 0.884 362 R HN 0.264 8.666 8.270 0.220 0.000 0.447 363 F N 1.891 121.762 119.950 -0.133 0.000 2.051 363 F HA -0.297 nan 4.527 nan 0.000 0.296 363 F C 1.583 177.198 175.800 -0.308 0.000 1.122 363 F CA 2.742 60.568 58.000 -0.290 0.000 1.201 363 F CB -0.191 38.464 39.000 -0.576 0.000 0.978 363 F HN -0.793 7.462 8.300 0.145 0.132 0.472 364 I N -4.744 115.518 120.570 -0.514 0.000 2.208 364 I HA -0.613 nan 4.170 nan 0.000 0.245 364 I C 1.316 177.356 176.117 -0.129 0.000 1.097 364 I CA 3.692 64.721 61.300 -0.452 0.000 1.363 364 I CB -0.738 37.146 38.000 -0.193 0.000 1.051 364 I HN -0.075 7.859 8.210 -0.460 0.000 0.413 365 D N 0.206 120.665 120.400 0.098 0.000 2.149 365 D HA -0.381 nan 4.640 nan 0.000 0.198 365 D C 2.063 178.435 176.300 0.120 0.000 0.990 365 D CA 3.710 57.882 54.000 0.286 0.000 0.839 365 D CB -0.146 40.801 40.800 0.245 0.000 0.948 365 D HN -0.428 7.969 8.370 0.045 0.000 0.460 366 N N -0.953 117.737 118.700 -0.017 0.000 2.166 366 N HA -0.250 nan 4.740 nan 0.000 0.186 366 N C 2.597 178.012 175.510 -0.158 0.000 1.019 366 N CA 3.177 56.198 53.050 -0.049 0.000 0.856 366 N CB -0.119 38.371 38.487 0.004 0.000 0.993 366 N HN 0.060 8.181 8.380 -0.050 0.229 0.426 367 I N 0.353 120.722 120.570 -0.334 0.000 2.163 367 I HA -0.522 nan 4.170 nan 0.000 0.240 367 I C 1.641 177.540 176.117 -0.363 0.000 1.081 367 I CA 4.219 65.266 61.300 -0.423 0.000 1.353 367 I CB -0.168 37.448 38.000 -0.641 0.000 1.054 367 I HN -0.571 7.279 8.210 -0.418 0.109 0.407 368 F N -1.266 118.510 119.950 -0.290 0.000 2.161 368 F HA -0.456 nan 4.527 nan 0.000 0.300 368 F C 2.290 177.836 175.800 -0.423 0.000 1.089 368 F CA 4.067 61.809 58.000 -0.430 0.000 1.282 368 F CB -0.983 37.568 39.000 -0.749 0.000 1.010 368 F HN -0.359 7.733 8.300 -0.346 0.000 0.485 369 Q N -2.257 117.490 119.800 -0.089 0.000 2.124 369 Q HA -0.357 nan 4.340 nan 0.000 0.202 369 Q C 2.881 178.803 176.000 -0.130 0.000 0.977 369 Q CA 3.191 58.947 55.803 -0.078 0.000 0.850 369 Q CB -0.828 27.910 28.738 -0.001 0.000 0.901 369 Q HN 0.631 8.766 8.270 -0.022 0.122 0.429 370 E N -0.047 120.065 120.200 -0.147 0.000 2.110 370 E HA -0.391 nan 4.350 nan 0.000 0.193 370 E C 2.318 178.783 176.600 -0.225 0.000 0.988 370 E CA 3.016 59.317 56.400 -0.165 0.000 0.804 370 E CB -0.288 29.314 29.700 -0.164 0.000 0.745 370 E HN -0.177 8.003 8.360 -0.147 0.092 0.458 371 H N 0.513 119.351 119.070 -0.386 0.000 2.357 371 H HA -0.167 nan 4.556 nan 0.000 0.301 371 H C 2.431 177.181 175.328 -0.963 0.000 1.082 371 H CA 2.726 58.431 56.048 -0.573 0.000 1.342 371 H CB 0.057 29.557 29.762 -0.436 0.000 1.389 371 H HN -0.538 7.534 8.280 -0.166 0.108 0.511 372 K N -1.984 118.001 120.400 -0.691 0.000 2.097 372 K HA -0.314 nan 4.320 nan 0.000 0.206 372 K C 2.532 178.905 176.600 -0.378 0.000 1.049 372 K CA 2.077 58.059 56.287 -0.509 0.000 0.933 372 K CB -0.533 31.876 32.500 -0.151 0.000 0.717 372 K HN -0.072 7.933 8.250 -0.408 0.000 0.442 373 K N -1.468 118.757 120.400 -0.292 0.000 2.097 373 K HA -0.181 nan 4.320 nan 0.000 0.206 373 K C 2.292 178.759 176.600 -0.221 0.000 1.049 373 K CA 2.261 58.429 56.287 -0.197 0.000 0.933 373 K CB 0.190 32.606 32.500 -0.141 0.000 0.717 373 K HN -0.147 7.748 8.250 -0.277 0.189 0.442 374 S N -2.549 112.981 115.700 -0.283 0.000 2.453 374 S HA -0.157 nan 4.470 nan 0.000 0.231 374 S C 0.687 175.174 174.600 -0.188 0.000 1.005 374 S CA 1.579 59.674 58.200 -0.176 0.000 0.949 374 S CB 0.562 63.773 63.200 0.018 0.000 0.774 374 S HN -0.358 7.741 8.310 -0.352 0.000 0.510 375 F N 2.679 122.500 119.950 -0.214 0.000 2.496 375 F HA -0.020 nan 4.527 nan 0.000 0.344 375 F C -0.080 175.517 175.800 -0.339 0.000 1.155 375 F CA -0.272 57.578 58.000 -0.251 0.000 1.302 375 F CB 0.079 38.959 39.000 -0.199 0.000 1.159 375 F HN -0.781 7.106 8.300 -0.688 0.000 0.595 376 H N 1.142 120.253 119.070 0.069 0.000 2.511 376 H HA 0.147 nan 4.556 nan 0.000 0.346 376 H C -1.433 173.795 175.328 -0.166 0.000 1.128 376 H CA -0.993 55.033 56.048 -0.036 0.000 1.342 376 H CB -0.067 29.677 29.762 -0.029 0.000 1.470 376 H HN 0.239 8.629 8.280 0.183 0.000 0.546 377 P HA -0.166 nan 4.420 nan 0.000 0.271 377 P C -1.228 175.969 177.300 -0.172 0.000 1.228 377 P CA 0.675 63.709 63.100 -0.110 0.000 0.797 377 P CB 0.425 32.147 31.700 0.037 0.000 0.914 378 Y N -0.603 119.779 120.300 0.137 0.000 2.327 378 Y HA -0.017 nan 4.550 nan 0.000 0.336 378 Y C 0.301 176.230 175.900 0.048 0.000 1.035 378 Y CA 0.357 58.511 58.100 0.089 0.000 1.165 378 Y CB 0.347 38.835 38.460 0.046 0.000 1.181 378 Y HN 0.239 8.615 8.280 0.160 0.000 0.494 379 T N 4.899 119.583 114.554 0.218 0.000 2.932 379 T HA 0.051 nan 4.350 nan 0.000 0.312 379 T C 1.088 175.824 174.700 0.061 0.000 1.071 379 T CA -0.035 62.131 62.100 0.110 0.000 1.128 379 T CB 0.540 69.458 68.868 0.083 0.000 0.984 379 T HN 0.321 8.709 8.240 0.248 0.000 0.549 380 K N 3.896 124.304 120.400 0.013 0.000 2.103 380 K HA -0.464 nan 4.320 nan 0.000 0.207 380 K C 2.146 178.732 176.600 -0.023 0.000 1.048 380 K CA 3.877 60.142 56.287 -0.037 0.000 0.930 380 K CB -0.111 32.373 32.500 -0.027 0.000 0.716 380 K HN 0.441 8.706 8.250 0.025 0.000 0.444 381 E N -0.220 119.983 120.200 0.006 0.000 2.035 381 E HA -0.303 nan 4.350 nan 0.000 0.204 381 E C 2.251 178.863 176.600 0.019 0.000 1.025 381 E CA 3.255 59.663 56.400 0.014 0.000 0.835 381 E CB -0.502 29.211 29.700 0.022 0.000 0.764 381 E HN 0.095 8.461 8.360 0.013 0.003 0.457 382 E N -1.395 118.829 120.200 0.040 0.000 2.085 382 E HA -0.265 nan 4.350 nan 0.000 0.194 382 E C 1.116 177.720 176.600 0.007 0.000 0.994 382 E CA 2.261 58.692 56.400 0.051 0.000 0.801 382 E CB -0.747 29.042 29.700 0.149 0.000 0.743 382 E HN 0.135 8.529 8.360 0.056 0.000 0.453 383 L N -4.857 116.329 121.223 -0.061 0.000 2.465 383 L HA -0.114 nan 4.340 nan 0.000 0.224 383 L C 0.006 176.821 176.870 -0.093 0.000 1.145 383 L CA 0.865 55.600 54.840 -0.175 0.000 0.834 383 L CB 0.251 42.107 42.059 -0.338 0.000 0.944 383 L HN -0.387 7.727 8.230 -0.038 0.093 0.451 384 S N -1.078 114.611 115.700 -0.018 0.000 2.420 384 S HA 0.092 nan 4.470 nan 0.000 0.313 384 S C -1.438 173.244 174.600 0.137 0.000 1.079 384 S CA -0.252 57.971 58.200 0.040 0.000 1.104 384 S CB 0.467 63.676 63.200 0.014 0.000 0.969 384 S HN -0.489 7.627 8.310 -0.012 0.187 0.471 385 F N 8.629 128.563 119.950 -0.027 0.000 2.487 385 F HA 0.185 nan 4.527 nan 0.000 0.364 385 F C -2.000 173.796 175.800 -0.007 0.000 1.126 385 F CA -3.336 54.658 58.000 -0.010 0.000 1.135 385 F CB 0.294 39.294 39.000 -0.000 0.000 1.127 385 F HN 0.236 8.976 8.300 0.242 -0.294 0.559 386 P HA 0.027 nan 4.420 nan 0.000 0.267 386 P C -0.423 176.748 177.300 -0.215 0.000 1.205 386 P CA 0.460 63.514 63.100 -0.077 0.000 0.765 386 P CB 0.123 31.801 31.700 -0.036 0.000 0.828 387 G N 2.189 110.896 108.800 -0.156 0.000 2.336 387 G HA2 -0.368 nan 3.960 nan 0.000 0.233 387 G HA3 -0.368 nan 3.960 nan 0.000 0.233 387 G C -1.039 173.749 174.900 -0.186 0.000 1.053 387 G CA 0.386 45.389 45.100 -0.161 0.000 0.625 387 G HN 0.367 8.597 8.290 -0.099 0.000 0.511 388 V N 2.884 122.622 119.914 -0.293 0.000 2.455 388 V HA 0.007 nan 4.120 nan 0.000 0.273 388 V C -1.058 174.993 176.094 -0.072 0.000 1.045 388 V CA -0.152 62.017 62.300 -0.218 0.000 0.976 388 V CB -0.209 31.377 31.823 -0.395 0.000 0.993 388 V HN -0.713 7.147 8.190 -0.418 0.079 0.475 389 E N 8.043 128.227 120.200 -0.026 0.000 2.129 389 E HA 0.250 nan 4.350 nan 0.000 0.268 389 E C -0.255 176.368 176.600 0.038 0.000 0.900 389 E CA -1.699 54.708 56.400 0.011 0.000 0.755 389 E CB 2.802 32.504 29.700 0.003 0.000 1.117 389 E HN 0.231 8.442 8.360 -0.033 0.129 0.410 390 V N 9.061 129.013 119.914 0.063 0.000 2.415 390 V HA -0.165 nan 4.120 nan 0.000 0.252 390 V C 0.063 176.194 176.094 0.062 0.000 1.043 390 V CA 1.704 64.050 62.300 0.076 0.000 1.149 390 V CB -1.853 30.031 31.823 0.102 0.000 1.143 390 V HN 0.751 8.982 8.190 0.069 0.000 0.478 391 V N 7.443 127.389 119.914 0.053 0.000 3.305 391 V HA -0.049 nan 4.120 nan 0.000 0.269 391 V C 0.310 176.434 176.094 0.049 0.000 1.157 391 V CA 0.604 62.930 62.300 0.044 0.000 1.157 391 V CB -0.396 31.448 31.823 0.036 0.000 0.772 391 V HN 0.545 8.671 8.190 0.054 0.096 0.498 392 G N -3.379 105.459 108.800 0.064 0.000 2.361 392 G HA2 -0.115 nan 3.960 nan 0.000 0.305 392 G HA3 -0.115 nan 3.960 nan 0.000 0.305 392 G C -3.095 171.860 174.900 0.093 0.000 1.367 392 G CA 0.166 45.309 45.100 0.071 0.000 0.951 392 G HN -0.703 7.603 8.290 0.071 0.027 0.615 393 V N -1.901 118.078 119.914 0.108 0.000 3.160 393 V HA 0.805 nan 4.120 nan 0.000 0.310 393 V C -1.391 174.777 176.094 0.123 0.000 1.181 393 V CA -2.320 60.066 62.300 0.145 0.000 1.047 393 V CB 3.620 35.571 31.823 0.214 0.000 1.068 393 V HN 0.244 8.492 8.190 0.096 0.000 0.441 394 S N -0.857 114.920 115.700 0.128 0.000 2.552 394 S HA 0.522 nan 4.470 nan 0.000 0.272 394 S C -2.059 172.594 174.600 0.087 0.000 1.150 394 S CA 0.123 58.381 58.200 0.096 0.000 0.849 394 S CB 3.839 67.077 63.200 0.064 0.000 1.113 394 S HN -0.134 8.264 8.310 0.146 0.000 0.458 395 I N -1.843 118.772 120.570 0.076 0.000 2.404 395 I HA 0.632 nan 4.170 nan 0.000 0.293 395 I C -2.097 174.055 176.117 0.059 0.000 0.992 395 I CA -1.987 59.354 61.300 0.069 0.000 1.149 395 I CB 1.762 39.857 38.000 0.158 0.000 1.315 395 I HN 0.622 9.220 8.210 0.072 -0.345 0.446 396 N N 7.068 125.797 118.700 0.048 0.000 2.558 396 N HA 0.366 nan 4.740 nan 0.000 0.242 396 N C -0.726 174.824 175.510 0.067 0.000 0.979 396 N CA -0.272 52.803 53.050 0.041 0.000 0.931 396 N CB 0.885 39.385 38.487 0.022 0.000 1.122 396 N HN -0.142 8.251 8.380 0.022 0.000 0.508 397 S N 6.888 122.623 115.700 0.058 0.000 3.320 397 S HA 0.082 nan 4.470 nan 0.000 0.185 397 S C 0.158 174.774 174.600 0.028 0.000 1.028 397 S CA 1.040 59.276 58.200 0.059 0.000 1.641 397 S CB 0.747 63.953 63.200 0.011 0.000 0.630 397 S HN 0.438 8.770 8.310 0.036 0.000 0.555 398 K N 1.023 121.426 120.400 0.005 0.000 2.148 398 K HA -0.123 nan 4.320 nan 0.000 0.204 398 K C -0.576 176.021 176.600 -0.005 0.000 1.050 398 K CA 1.782 58.065 56.287 -0.006 0.000 0.942 398 K CB 0.493 32.980 32.500 -0.022 0.000 0.724 398 K HN -0.237 8.420 8.250 -0.003 -0.409 0.446 399 T N -0.754 113.798 114.554 -0.004 0.000 2.831 399 T HA 0.227 nan 4.350 nan 0.000 0.287 399 T C -2.260 172.443 174.700 0.005 0.000 1.070 399 T CA -1.883 60.215 62.100 -0.002 0.000 1.010 399 T CB 3.279 72.142 68.868 -0.008 0.000 1.264 399 T HN -0.692 7.525 8.240 -0.007 0.019 0.532 400 A N -0.269 122.556 122.820 0.008 0.000 2.407 400 A HA 0.107 nan 4.320 nan 0.000 0.248 400 A C 0.139 177.729 177.584 0.011 0.000 1.082 400 A CA 0.463 52.508 52.037 0.014 0.000 0.785 400 A CB 0.019 19.029 19.000 0.017 0.000 1.020 400 A HN 0.111 8.264 8.150 0.006 0.000 0.489 401 N N -1.947 116.763 118.700 0.018 0.000 2.678 401 N HA -0.352 nan 4.740 nan 0.000 0.249 401 N C -1.261 174.247 175.510 -0.004 0.000 1.119 401 N CA 1.414 54.474 53.050 0.016 0.000 0.718 401 N CB -1.584 36.919 38.487 0.028 0.000 1.060 401 N HN 0.082 8.478 8.380 0.028 0.000 0.552 402 V N -9.447 110.452 119.914 -0.025 0.000 2.769 402 V HA 0.807 nan 4.120 nan 0.000 0.312 402 V C -1.805 174.225 176.094 -0.106 0.000 1.061 402 V CA -2.817 59.454 62.300 -0.049 0.000 0.931 402 V CB 3.668 35.470 31.823 -0.035 0.000 1.010 402 V HN -0.843 7.268 8.190 -0.020 0.067 0.433 403 I N 2.932 123.400 120.570 -0.170 0.000 2.693 403 I HA 0.431 nan 4.170 nan 0.000 0.303 403 I C -2.118 173.918 176.117 -0.134 0.000 1.025 403 I CA -2.105 59.059 61.300 -0.227 0.000 1.086 403 I CB 3.494 41.204 38.000 -0.484 0.000 1.268 403 I HN 0.622 8.631 8.210 -0.160 0.105 0.440 404 T N 7.445 121.946 114.554 -0.088 0.000 2.809 404 T HA 0.448 nan 4.350 nan 0.000 0.284 404 T C -1.245 173.448 174.700 -0.011 0.000 0.992 404 T CA -0.625 61.449 62.100 -0.044 0.000 0.957 404 T CB 1.577 70.416 68.868 -0.048 0.000 0.942 404 T HN 0.165 8.354 8.240 -0.085 0.000 0.439 405 T N 7.722 122.295 114.554 0.032 0.000 2.918 405 T HA 0.664 nan 4.350 nan 0.000 0.283 405 T C -1.764 172.969 174.700 0.054 0.000 1.001 405 T CA -1.932 60.232 62.100 0.107 0.000 1.041 405 T CB 1.099 70.082 68.868 0.192 0.000 1.028 405 T HN 0.625 8.887 8.240 0.036 0.000 0.511 406 L N 1.268 122.549 121.223 0.097 0.000 2.301 406 L HA 0.645 nan 4.340 nan 0.000 0.249 406 L C -1.474 175.495 176.870 0.165 0.000 1.069 406 L CA -1.290 53.555 54.840 0.008 0.000 0.865 406 L CB 3.799 45.860 42.059 0.004 0.000 1.467 406 L HN -0.288 7.943 8.230 0.181 0.108 0.419 407 I N -0.490 120.138 120.570 0.097 0.000 2.392 407 I HA 0.419 nan 4.170 nan 0.000 0.295 407 I C -1.807 174.303 176.117 -0.013 0.000 0.985 407 I CA -2.113 59.273 61.300 0.144 0.000 1.221 407 I CB 1.377 39.497 38.000 0.201 0.000 1.366 407 I HN 0.215 8.421 8.210 -0.007 0.000 0.467 408 K N 8.800 129.079 120.400 -0.202 0.000 2.545 408 K HA 0.391 nan 4.320 nan 0.000 0.252 408 K C -1.325 174.955 176.600 -0.533 0.000 0.948 408 K CA -1.653 54.404 56.287 -0.383 0.000 0.827 408 K CB 2.589 34.795 32.500 -0.490 0.000 1.128 408 K HN 0.842 8.837 8.250 -0.245 0.108 0.429 409 E N 5.642 125.648 120.200 -0.324 0.000 2.398 409 E HA 0.093 nan 4.350 nan 0.000 0.263 409 E C -1.048 175.228 176.600 -0.539 0.000 1.046 409 E CA 0.553 56.669 56.400 -0.473 0.000 0.908 409 E CB 0.403 29.886 29.700 -0.363 0.000 0.963 409 E HN 0.393 8.638 8.360 -0.190 0.000 0.431 410 S N 1.704 116.957 115.700 -0.746 0.000 2.727 410 S HA 0.381 nan 4.470 nan 0.000 0.278 410 S C -2.069 172.083 174.600 -0.746 0.000 1.186 410 S CA -0.973 56.791 58.200 -0.727 0.000 0.836 410 S CB 2.698 65.417 63.200 -0.801 0.000 1.186 410 S HN 0.416 8.216 8.310 -0.851 0.000 0.499 411 L N 0.380 121.370 121.223 -0.388 0.000 2.309 411 L HA 0.581 nan 4.340 nan 0.000 0.261 411 L C -1.734 175.243 176.870 0.179 0.000 1.021 411 L CA -0.972 53.815 54.840 -0.089 0.000 0.823 411 L CB 3.169 45.196 42.059 -0.055 0.000 1.366 411 L HN 0.259 8.317 8.230 -0.286 0.000 0.423 412 L N -0.015 121.318 121.223 0.183 0.000 2.543 412 L HA 0.276 nan 4.340 nan 0.000 0.265 412 L C -2.068 174.857 176.870 0.092 0.000 0.945 412 L CA -0.092 54.836 54.840 0.146 0.000 0.869 412 L CB 3.134 45.282 42.059 0.147 0.000 1.294 412 L HN -0.140 8.170 8.230 0.133 0.000 0.405 413 E N 6.536 126.779 120.200 0.073 0.000 1.941 413 E HA 0.212 nan 4.350 nan 0.000 0.275 413 E C 0.749 177.439 176.600 0.150 0.000 1.113 413 E CA -0.872 55.601 56.400 0.120 0.000 0.878 413 E CB -0.020 29.781 29.700 0.168 0.000 1.070 413 E HN 0.269 8.652 8.360 0.039 0.000 0.399 414 L N 6.163 127.457 121.223 0.119 0.000 2.083 414 L HA -0.381 nan 4.340 nan 0.000 0.209 414 L C 1.460 178.413 176.870 0.139 0.000 1.083 414 L CA 3.010 57.917 54.840 0.113 0.000 0.752 414 L CB -0.351 41.770 42.059 0.104 0.000 0.899 414 L HN 0.932 9.224 8.230 0.104 0.000 0.433 415 S N -0.692 115.106 115.700 0.164 0.000 2.434 415 S HA -0.506 nan 4.470 nan 0.000 0.250 415 S C 2.149 176.845 174.600 0.159 0.000 1.102 415 S CA 3.053 61.391 58.200 0.229 0.000 1.104 415 S CB -0.483 62.722 63.200 0.008 0.000 0.957 415 S HN -0.211 8.181 8.310 0.138 0.000 0.456 416 H N -0.305 118.796 119.070 0.052 0.000 2.326 416 H HA -0.170 nan 4.556 nan 0.000 0.301 416 H C 1.584 176.799 175.328 -0.187 0.000 1.081 416 H CA 2.860 58.828 56.048 -0.133 0.000 1.334 416 H CB 0.097 29.718 29.762 -0.235 0.000 1.385 416 H HN -0.833 7.560 8.280 0.240 0.032 0.504 417 G N -3.224 105.566 108.800 -0.015 0.000 2.404 417 G HA2 -0.127 nan 3.960 nan 0.000 0.214 417 G HA3 -0.127 nan 3.960 nan 0.000 0.214 417 G C -0.354 174.526 174.900 -0.034 0.000 1.189 417 G CA 0.797 45.838 45.100 -0.098 0.000 0.789 417 G HN -0.298 8.026 8.290 0.058 0.000 0.533 418 I N -3.590 117.008 120.570 0.046 0.000 3.076 418 I HA 0.442 nan 4.170 nan 0.000 0.313 418 I C -1.890 174.260 176.117 0.055 0.000 1.053 418 I CA -3.244 58.086 61.300 0.050 0.000 1.048 418 I CB 2.149 40.185 38.000 0.061 0.000 1.264 418 I HN -0.329 7.819 8.210 0.078 0.108 0.498 419 N N 1.608 120.291 118.700 -0.027 0.000 2.415 419 N HA -0.057 nan 4.740 nan 0.000 0.250 419 N C -0.023 175.410 175.510 -0.129 0.000 1.127 419 N CA -0.519 52.418 53.050 -0.188 0.000 0.945 419 N CB -0.660 37.693 38.487 -0.224 0.000 1.196 419 N HN -0.013 8.357 8.380 -0.017 0.000 0.499 420 F N 1.600 121.552 119.950 0.003 0.000 2.161 420 F HA -0.135 nan 4.527 nan 0.000 0.300 420 F C 1.391 177.185 175.800 -0.010 0.000 1.089 420 F CA 0.773 58.774 58.000 0.001 0.000 1.282 420 F CB -0.206 38.794 39.000 0.001 0.000 1.010 420 F HN -0.332 7.822 8.300 -0.242 0.000 0.485 421 G N -0.514 108.077 108.800 -0.348 0.000 3.548 421 G HA2 -0.551 nan 3.960 nan 0.000 0.224 421 G HA3 -0.551 nan 3.960 nan 0.000 0.224 421 G C 0.423 175.361 174.900 0.064 0.000 1.351 421 G CA 1.532 46.521 45.100 -0.184 0.000 0.905 421 G HN -0.235 7.507 8.290 -1.079 -0.100 0.561 422 T N 0.641 115.330 114.554 0.225 0.000 3.348 422 T HA 0.129 nan 4.350 nan 0.000 0.233 422 T C 0.245 175.108 174.700 0.272 0.000 0.960 422 T CA 0.193 62.426 62.100 0.223 0.000 1.343 422 T CB 0.921 69.861 68.868 0.121 0.000 1.068 422 T HN 0.189 8.493 8.240 0.192 0.052 0.410 423 D N 1.544 122.062 120.400 0.196 0.000 2.352 423 D HA -0.105 nan 4.640 nan 0.000 0.238 423 D C 0.453 176.647 176.300 -0.178 0.000 1.286 423 D CA -0.285 53.735 54.000 0.034 0.000 0.923 423 D CB 0.640 41.463 40.800 0.039 0.000 1.146 423 D HN -0.473 8.036 8.370 0.232 0.000 0.471 424 Q N -2.289 117.400 119.800 -0.185 0.000 2.016 424 Q HA -0.210 nan 4.340 nan 0.000 0.200 424 Q C 0.105 175.878 176.000 -0.378 0.000 0.978 424 Q CA 2.785 58.412 55.803 -0.293 0.000 0.833 424 Q CB 0.842 29.488 28.738 -0.155 0.000 0.895 424 Q HN 0.024 8.234 8.270 -0.100 0.000 0.427 425 S N -4.331 111.253 115.700 -0.194 0.000 2.543 425 S HA 0.347 nan 4.470 nan 0.000 0.273 425 S C -2.602 171.983 174.600 -0.025 0.000 1.152 425 S CA -0.390 57.743 58.200 -0.111 0.000 0.910 425 S CB 2.275 65.437 63.200 -0.063 0.000 1.105 425 S HN -0.700 7.637 8.310 -0.129 -0.104 0.465 426 V N 1.118 121.048 119.914 0.026 0.000 2.409 426 V HA 0.741 nan 4.120 nan 0.000 0.291 426 V C -1.630 174.500 176.094 0.061 0.000 1.020 426 V CA -2.734 59.599 62.300 0.056 0.000 0.848 426 V CB 1.429 33.307 31.823 0.091 0.000 0.990 426 V HN 0.798 9.009 8.190 0.035 0.000 0.430 427 K N 4.875 125.304 120.400 0.049 0.000 2.270 427 K HA 0.731 nan 4.320 nan 0.000 0.255 427 K C -2.077 174.559 176.600 0.060 0.000 0.936 427 K CA -2.528 53.789 56.287 0.050 0.000 0.809 427 K CB 2.966 35.480 32.500 0.022 0.000 1.131 427 K HN 0.654 8.828 8.250 0.042 0.101 0.427 428 V N 4.140 124.107 119.914 0.089 0.000 2.318 428 V HA 0.286 nan 4.120 nan 0.000 0.271 428 V C -1.503 174.658 176.094 0.111 0.000 1.030 428 V CA -2.426 59.942 62.300 0.113 0.000 0.844 428 V CB 0.691 32.602 31.823 0.148 0.000 1.015 428 V HN 0.075 8.326 8.190 0.102 0.000 0.460 429 K N 11.302 131.711 120.400 0.016 0.000 2.363 429 K HA 0.064 nan 4.320 nan 0.000 0.289 429 K C -1.014 175.515 176.600 -0.117 0.000 1.063 429 K CA 0.051 56.262 56.287 -0.127 0.000 0.967 429 K CB 0.046 32.468 32.500 -0.131 0.000 0.987 429 K HN 0.725 8.990 8.250 0.023 0.000 0.473 430 Y N 3.388 123.599 120.300 -0.149 0.000 2.618 430 Y HA 0.283 nan 4.550 nan 0.000 0.326 430 Y C -2.125 173.586 175.900 -0.315 0.000 1.168 430 Y CA -3.042 54.987 58.100 -0.119 0.000 1.269 430 Y CB 2.456 40.933 38.460 0.028 0.000 1.388 430 Y HN 0.244 8.029 8.280 -0.650 0.105 0.528 431 H N -0.687 118.496 119.070 0.189 0.000 2.609 431 H HA 0.448 nan 4.556 nan 0.000 0.344 431 H C -1.255 174.207 175.328 0.222 0.000 1.040 431 H CA -1.272 54.814 56.048 0.064 0.000 1.216 431 H CB 2.877 32.681 29.762 0.069 0.000 1.529 431 H HN -0.120 8.418 8.280 0.430 0.000 0.519 432 H N 1.508 120.710 119.070 0.219 0.000 2.797 432 H HA 0.375 nan 4.556 nan 0.000 0.372 432 H C -2.082 173.368 175.328 0.203 0.000 1.168 432 H CA -2.442 53.740 56.048 0.225 0.000 1.163 432 H CB 2.367 32.194 29.762 0.108 0.000 1.778 432 H HN 0.808 8.860 8.280 -0.184 0.118 0.551 433 L N 0.136 121.674 121.223 0.524 0.000 2.452 433 L HA 0.104 nan 4.340 nan 0.000 0.267 433 L C -1.058 176.122 176.870 0.516 0.000 1.188 433 L CA 0.842 55.933 54.840 0.418 0.000 0.821 433 L CB 1.280 43.515 42.059 0.292 0.000 1.102 433 L HN 0.372 8.948 8.230 0.577 0.000 0.470 434 D N 0.991 121.608 120.400 0.362 0.000 3.158 434 D HA 0.298 nan 4.640 nan 0.000 0.314 434 D C -2.153 174.262 176.300 0.192 0.000 1.308 434 D CA -1.993 52.168 54.000 0.268 0.000 1.001 434 D CB 2.826 43.727 40.800 0.169 0.000 1.389 434 D HN 0.367 8.928 8.370 0.318 0.000 0.595 435 H N -4.800 114.315 119.070 0.075 0.000 3.064 435 H HA 0.329 nan 4.556 nan 0.000 0.352 435 H C -1.685 173.604 175.328 -0.065 0.000 1.260 435 H CA -1.652 54.383 56.048 -0.022 0.000 1.160 435 H CB 2.768 32.488 29.762 -0.071 0.000 1.879 435 H HN -0.114 7.987 8.280 -0.299 0.000 0.544 436 E N 1.593 121.819 120.200 0.043 0.000 2.398 436 E HA 0.050 nan 4.350 nan 0.000 0.263 436 E C -1.297 175.377 176.600 0.123 0.000 1.046 436 E CA -1.636 54.778 56.400 0.023 0.000 0.908 436 E CB 0.763 30.464 29.700 0.002 0.000 0.963 436 E HN 0.229 8.488 8.360 0.034 0.121 0.431 437 P HA -0.008 nan 4.420 nan 0.000 0.271 437 P C -2.202 175.332 177.300 0.390 0.000 1.233 437 P CA 0.389 63.654 63.100 0.276 0.000 0.789 437 P CB 0.591 32.465 31.700 0.291 0.000 0.951 438 F N -5.854 114.131 119.950 0.059 0.000 2.807 438 F HA 0.369 nan 4.527 nan 0.000 0.316 438 F C -2.397 173.343 175.800 -0.101 0.000 1.162 438 F CA -2.314 55.655 58.000 -0.052 0.000 0.910 438 F CB 1.782 40.709 39.000 -0.123 0.000 1.314 438 F HN -0.288 8.221 8.300 0.348 0.000 0.454 439 T N -0.569 113.824 114.554 -0.267 0.000 2.916 439 T HA 0.621 nan 4.350 nan 0.000 0.292 439 T C -1.619 172.757 174.700 -0.539 0.000 1.055 439 T CA -1.580 60.266 62.100 -0.423 0.000 1.009 439 T CB 2.864 71.632 68.868 -0.167 0.000 1.118 439 T HN -0.160 8.056 8.240 -0.040 0.000 0.497 440 Y N 1.834 122.046 120.300 -0.146 0.000 2.313 440 Y HA 0.216 nan 4.550 nan 0.000 0.332 440 Y C -1.315 174.573 175.900 -0.019 0.000 1.071 440 Y CA -0.839 57.247 58.100 -0.024 0.000 1.169 440 Y CB 1.235 39.695 38.460 -0.000 0.000 1.192 440 Y HN 0.499 8.544 8.280 -0.217 0.105 0.487 441 N N 3.512 122.280 118.700 0.114 0.000 2.446 441 N HA 0.428 nan 4.740 nan 0.000 0.265 441 N C -2.211 173.366 175.510 0.112 0.000 0.975 441 N CA -0.806 52.291 53.050 0.079 0.000 0.928 441 N CB 2.514 41.029 38.487 0.046 0.000 1.160 441 N HN -0.090 8.357 8.380 0.113 0.000 0.495 442 I N 6.062 126.692 120.570 0.099 0.000 2.418 442 I HA 0.613 nan 4.170 nan 0.000 0.287 442 I C -2.554 173.605 176.117 0.071 0.000 1.008 442 I CA -1.947 59.415 61.300 0.103 0.000 1.104 442 I CB 3.000 41.074 38.000 0.123 0.000 1.264 442 I HN 0.471 8.723 8.210 0.070 0.000 0.438 443 V N 9.006 128.962 119.914 0.070 0.000 2.532 443 V HA 0.675 nan 4.120 nan 0.000 0.295 443 V C -1.555 174.575 176.094 0.060 0.000 1.041 443 V CA -1.617 60.718 62.300 0.058 0.000 0.926 443 V CB 1.334 33.187 31.823 0.049 0.000 0.992 443 V HN 0.799 8.925 8.190 0.077 0.110 0.457 444 V N 5.310 125.257 119.914 0.055 0.000 2.841 444 V HA 0.407 nan 4.120 nan 0.000 0.310 444 V C -2.046 174.067 176.094 0.032 0.000 1.090 444 V CA -1.222 61.109 62.300 0.051 0.000 0.930 444 V CB 4.331 36.195 31.823 0.070 0.000 1.014 444 V HN 0.886 9.020 8.190 0.053 0.088 0.425 445 E N 6.337 126.546 120.200 0.016 0.000 2.070 445 E HA 0.272 nan 4.350 nan 0.000 0.261 445 E C -1.357 175.229 176.600 -0.023 0.000 0.926 445 E CA -2.358 54.042 56.400 -0.000 0.000 0.760 445 E CB 1.255 30.954 29.700 -0.002 0.000 1.133 445 E HN 0.729 8.981 8.360 0.017 0.118 0.420 446 N N 8.216 126.899 118.700 -0.027 0.000 2.739 446 N HA 0.018 nan 4.740 nan 0.000 0.266 446 N C 0.728 176.203 175.510 -0.058 0.000 1.168 446 N CA -1.307 51.707 53.050 -0.060 0.000 1.055 446 N CB -0.355 38.100 38.487 -0.053 0.000 1.393 446 N HN 0.347 8.631 8.380 -0.010 0.090 0.514 447 N N 4.242 122.904 118.700 -0.064 0.000 2.192 447 N HA -0.339 nan 4.740 nan 0.000 0.188 447 N C -0.081 175.397 175.510 -0.053 0.000 1.013 447 N CA 2.359 55.378 53.050 -0.051 0.000 0.863 447 N CB -0.007 38.449 38.487 -0.051 0.000 0.990 447 N HN -0.240 8.065 8.380 -0.072 0.032 0.430 448 S N -0.616 115.040 115.700 -0.073 0.000 2.533 448 S HA 0.005 nan 4.470 nan 0.000 0.282 448 S C 1.060 175.628 174.600 -0.053 0.000 1.304 448 S CA 0.306 58.466 58.200 -0.066 0.000 1.063 448 S CB 0.361 63.508 63.200 -0.088 0.000 0.881 448 S HN -0.695 7.527 8.310 -0.095 0.031 0.493 449 G N 1.572 110.349 108.800 -0.039 0.000 2.479 449 G HA2 -0.241 nan 3.960 nan 0.000 0.220 449 G HA3 -0.241 nan 3.960 nan 0.000 0.220 449 G C -0.938 173.941 174.900 -0.035 0.000 1.115 449 G CA 0.849 45.930 45.100 -0.032 0.000 0.757 449 G HN 0.431 8.700 8.290 -0.036 0.000 0.560 450 A N -0.986 121.810 122.820 -0.041 0.000 2.310 450 A HA 0.129 nan 4.320 nan 0.000 0.299 450 A C -0.678 176.864 177.584 -0.069 0.000 1.147 450 A CA -1.572 50.438 52.037 -0.046 0.000 0.818 450 A CB 1.056 20.035 19.000 -0.036 0.000 1.096 450 A HN -0.667 7.420 8.150 -0.044 0.037 0.495 451 E N 1.139 121.289 120.200 -0.083 0.000 2.652 451 E HA -0.310 nan 4.350 nan 0.000 0.255 451 E C -1.027 175.464 176.600 -0.182 0.000 0.952 451 E CA 0.993 57.314 56.400 -0.132 0.000 0.947 451 E CB 0.084 29.684 29.700 -0.167 0.000 0.912 451 E HN 0.361 8.680 8.360 -0.067 0.000 0.489 452 K N 4.842 125.157 120.400 -0.142 0.000 2.185 452 K HA 0.235 nan 4.320 nan 0.000 0.269 452 K C -1.226 175.383 176.600 0.014 0.000 0.987 452 K CA -1.573 54.677 56.287 -0.061 0.000 0.865 452 K CB 1.774 34.243 32.500 -0.051 0.000 1.090 452 K HN 0.573 8.679 8.250 -0.104 0.082 0.450 453 H N 3.732 122.991 119.070 0.315 0.000 2.552 453 H HA 0.494 nan 4.556 nan 0.000 0.311 453 H C -0.341 175.270 175.328 0.473 0.000 1.071 453 H CA -0.929 55.375 56.048 0.427 0.000 1.307 453 H CB 0.785 30.837 29.762 0.483 0.000 1.416 453 H HN 0.500 8.943 8.280 0.271 0.000 0.464 454 S N 3.284 119.293 115.700 0.515 0.000 2.648 454 S HA 0.751 nan 4.470 nan 0.000 0.305 454 S C -0.711 173.997 174.600 0.179 0.000 1.094 454 S CA -1.663 56.677 58.200 0.233 0.000 0.983 454 S CB 2.189 65.515 63.200 0.209 0.000 1.101 454 S HN 0.698 9.294 8.310 0.477 0.000 0.514 455 T N 2.259 116.795 114.554 -0.030 0.000 2.791 455 T HA 0.379 nan 4.350 nan 0.000 0.288 455 T C -1.336 173.241 174.700 -0.206 0.000 0.999 455 T CA -0.519 61.559 62.100 -0.036 0.000 0.952 455 T CB 0.672 69.584 68.868 0.073 0.000 0.938 455 T HN 0.633 8.626 8.240 -0.218 0.116 0.444 456 V N 7.429 127.107 119.914 -0.394 0.000 2.318 456 V HA 0.375 nan 4.120 nan 0.000 0.271 456 V C -0.885 175.004 176.094 -0.342 0.000 1.030 456 V CA -1.093 60.915 62.300 -0.487 0.000 0.844 456 V CB -0.349 30.855 31.823 -1.031 0.000 1.015 456 V HN 1.051 8.838 8.190 -0.494 0.107 0.460 457 R N 7.534 127.961 120.500 -0.120 0.000 2.207 457 R HA 0.598 nan 4.340 nan 0.000 0.334 457 R C -1.061 175.263 176.300 0.040 0.000 1.013 457 R CA -1.064 55.026 56.100 -0.017 0.000 0.858 457 R CB 0.576 30.978 30.300 0.170 0.000 1.094 457 R HN 0.424 8.645 8.270 -0.083 0.000 0.457 458 I N 4.097 124.616 120.570 -0.084 0.000 2.493 458 I HA 0.635 nan 4.170 nan 0.000 0.298 458 I C -1.493 174.635 176.117 0.019 0.000 0.998 458 I CA -1.021 60.304 61.300 0.042 0.000 1.137 458 I CB 2.675 40.574 38.000 -0.169 0.000 1.310 458 I HN 0.762 8.761 8.210 -0.178 0.105 0.445 459 F N 4.465 124.584 119.950 0.281 0.000 2.593 459 F HA 0.787 nan 4.527 nan 0.000 0.320 459 F C -1.552 174.488 175.800 0.399 0.000 1.060 459 F CA -1.576 56.643 58.000 0.365 0.000 0.940 459 F CB 4.271 43.535 39.000 0.441 0.000 1.268 459 F HN 0.427 8.997 8.300 0.618 0.102 0.475 460 L N 1.266 122.822 121.223 0.554 0.000 2.406 460 L HA 0.671 nan 4.340 nan 0.000 0.272 460 L C -2.363 174.696 176.870 0.314 0.000 0.980 460 L CA -1.342 53.730 54.840 0.385 0.000 0.831 460 L CB 3.545 45.752 42.059 0.247 0.000 1.253 460 L HN 0.891 9.341 8.230 0.553 0.112 0.406 461 A N 5.980 128.892 122.820 0.154 0.000 2.483 461 A HA 0.840 nan 4.320 nan 0.000 0.286 461 A C -3.476 174.113 177.584 0.007 0.000 1.207 461 A CA -2.703 49.257 52.037 -0.128 0.000 0.764 461 A CB 1.981 20.481 19.000 -0.834 0.000 1.341 461 A HN 1.017 9.174 8.150 0.197 0.112 0.428 462 P HA 0.310 nan 4.420 nan 0.000 0.294 462 P C -1.450 175.629 177.300 -0.367 0.000 1.294 462 P CA -0.782 62.045 63.100 -0.454 0.000 0.827 462 P CB 1.275 32.652 31.700 -0.538 0.000 0.992 463 K N 1.220 121.391 120.400 -0.381 0.000 2.166 463 K HA -0.059 nan 4.320 nan 0.000 0.201 463 K C 0.537 176.895 176.600 -0.403 0.000 1.052 463 K CA 1.205 57.281 56.287 -0.352 0.000 0.969 463 K CB 0.894 33.184 32.500 -0.351 0.000 0.761 463 K HN -0.244 7.719 8.250 -0.478 0.000 0.459 464 Y N -1.896 118.247 120.300 -0.261 0.000 2.326 464 Y HA -0.153 nan 4.550 nan 0.000 0.333 464 Y C -0.393 175.386 175.900 -0.202 0.000 1.240 464 Y CA 1.926 59.900 58.100 -0.209 0.000 1.365 464 Y CB 0.707 39.041 38.460 -0.211 0.000 1.289 464 Y HN -0.873 7.229 8.280 -0.298 0.000 0.548 465 D N 1.075 121.509 120.400 0.057 0.000 2.511 465 D HA 0.114 nan 4.640 nan 0.000 0.276 465 D C -0.548 175.738 176.300 -0.022 0.000 1.220 465 D CA -0.791 53.198 54.000 -0.019 0.000 1.077 465 D CB 2.001 42.786 40.800 -0.025 0.000 1.126 465 D HN 0.204 8.538 8.370 0.123 0.109 0.583 466 E N -1.826 118.344 120.200 -0.050 0.000 2.394 466 E HA 0.008 nan 4.350 nan 0.000 0.191 466 E C -1.229 175.342 176.600 -0.048 0.000 1.044 466 E CA 0.878 57.240 56.400 -0.062 0.000 0.939 466 E CB -0.529 29.131 29.700 -0.067 0.000 1.089 466 E HN 0.327 8.655 8.360 -0.053 0.000 0.456 467 L N -2.608 118.598 121.223 -0.030 0.000 2.920 467 L HA 0.231 nan 4.340 nan 0.000 0.168 467 L C 0.354 177.220 176.870 -0.008 0.000 1.141 467 L CA 0.633 55.460 54.840 -0.022 0.000 0.859 467 L CB 0.725 42.772 42.059 -0.020 0.000 1.398 467 L HN -0.136 7.962 8.230 -0.017 0.121 0.517 468 N N -2.465 116.247 118.700 0.021 0.000 3.449 468 N HA 0.030 nan 4.740 nan 0.000 0.312 468 N C -2.148 173.439 175.510 0.128 0.000 1.582 468 N CA -0.830 52.261 53.050 0.067 0.000 0.850 468 N CB 1.657 40.167 38.487 0.039 0.000 1.822 468 N HN -0.577 7.812 8.380 0.016 0.000 0.577 469 N N -0.429 118.359 118.700 0.146 0.000 2.421 469 N HA -0.093 nan 4.740 nan 0.000 0.260 469 N C -1.506 173.959 175.510 -0.076 0.000 1.173 469 N CA 0.712 53.754 53.050 -0.014 0.000 0.960 469 N CB 0.072 38.457 38.487 -0.171 0.000 1.273 469 N HN 0.204 8.674 8.380 0.150 0.000 0.497 470 K N 3.569 123.921 120.400 -0.079 0.000 2.616 470 K HA 0.270 nan 4.320 nan 0.000 0.241 470 K C -0.346 176.199 176.600 -0.092 0.000 0.961 470 K CA -1.411 54.832 56.287 -0.073 0.000 0.942 470 K CB 1.169 33.642 32.500 -0.044 0.000 1.153 470 K HN -0.294 7.917 8.250 -0.066 0.000 0.452 471 L N 6.444 127.611 121.223 -0.094 0.000 2.930 471 L HA 0.000 nan 4.340 nan 0.000 0.250 471 L C -0.812 176.025 176.870 -0.055 0.000 1.320 471 L CA -0.874 53.911 54.840 -0.093 0.000 1.163 471 L CB -1.718 40.290 42.059 -0.085 0.000 1.542 471 L HN 0.829 9.007 8.230 -0.086 0.000 0.428 472 E N 1.540 121.705 120.200 -0.059 0.000 2.081 472 E HA 0.003 nan 4.350 nan 0.000 0.270 472 E C -1.302 175.269 176.600 -0.050 0.000 1.180 472 E CA -1.203 55.172 56.400 -0.041 0.000 0.926 472 E CB -0.648 29.028 29.700 -0.040 0.000 1.035 472 E HN -0.248 7.961 8.360 -0.070 0.109 0.418 473 P HA -0.125 nan 4.420 nan 0.000 0.222 473 P C 0.732 178.028 177.300 -0.007 0.000 1.153 473 P CA 2.425 65.526 63.100 0.003 0.000 0.798 473 P CB 0.297 32.009 31.700 0.021 0.000 0.796 474 D N -0.358 120.024 120.400 -0.030 0.000 2.097 474 D HA -0.323 nan 4.640 nan 0.000 0.197 474 D C 1.401 177.701 176.300 -0.000 0.000 0.984 474 D CA 3.373 57.364 54.000 -0.014 0.000 0.826 474 D CB -0.427 40.361 40.800 -0.020 0.000 0.973 474 D HN 0.310 8.660 8.370 -0.035 0.000 0.460 475 E N -1.759 118.428 120.200 -0.021 0.000 2.085 475 E HA -0.350 nan 4.350 nan 0.000 0.194 475 E C 2.480 179.047 176.600 -0.055 0.000 0.994 475 E CA 2.994 59.375 56.400 -0.033 0.000 0.801 475 E CB -0.159 29.511 29.700 -0.050 0.000 0.743 475 E HN 0.114 8.458 8.360 -0.027 0.000 0.453 476 Q N -1.427 118.312 119.800 -0.103 0.000 2.291 476 Q HA -0.245 nan 4.340 nan 0.000 0.205 476 Q C 2.258 178.197 176.000 -0.102 0.000 0.970 476 Q CA 2.573 58.230 55.803 -0.244 0.000 0.876 476 Q CB -0.250 28.194 28.738 -0.490 0.000 0.935 476 Q HN 0.119 8.155 8.270 -0.092 0.179 0.455 477 R N -1.443 119.144 120.500 0.145 0.000 2.200 477 R HA -0.269 nan 4.340 nan 0.000 0.234 477 R C 1.716 178.144 176.300 0.213 0.000 1.127 477 R CA 2.613 58.892 56.100 0.297 0.000 0.989 477 R CB -0.490 29.934 30.300 0.206 0.000 0.869 477 R HN -0.206 8.005 8.270 0.093 0.116 0.459 478 R N -2.930 117.637 120.500 0.112 0.000 2.148 478 R HA -0.092 nan 4.340 nan 0.000 0.223 478 R C 1.176 177.519 176.300 0.072 0.000 1.088 478 R CA 1.291 57.449 56.100 0.096 0.000 0.985 478 R CB -0.135 30.203 30.300 0.065 0.000 0.880 478 R HN -0.656 7.618 8.270 0.067 0.036 0.451 479 L N -1.467 119.769 121.223 0.021 0.000 2.316 479 L HA 0.063 nan 4.340 nan 0.000 0.207 479 L C 0.804 177.703 176.870 0.049 0.000 1.070 479 L CA 0.738 55.567 54.840 -0.019 0.000 0.820 479 L CB 0.111 42.092 42.059 -0.130 0.000 0.992 479 L HN -0.353 7.699 8.230 -0.008 0.173 0.466 480 F N -0.657 119.301 119.950 0.013 0.000 2.512 480 F HA -0.304 nan 4.527 nan 0.000 0.406 480 F C 0.247 176.202 175.800 0.257 0.000 0.990 480 F CA 2.567 60.618 58.000 0.086 0.000 1.137 480 F CB -0.244 38.693 39.000 -0.105 0.000 0.960 480 F HN -0.213 8.098 8.300 0.017 0.000 0.533 481 I N -0.381 120.517 120.570 0.548 0.000 2.465 481 I HA 0.403 nan 4.170 nan 0.000 0.291 481 I C -1.643 174.634 176.117 0.267 0.000 1.014 481 I CA -2.165 59.343 61.300 0.347 0.000 1.093 481 I CB 3.315 41.416 38.000 0.169 0.000 1.267 481 I HN 0.733 9.169 8.210 0.566 0.114 0.431 482 E N 6.654 126.860 120.200 0.009 0.000 2.217 482 E HA -0.034 nan 4.350 nan 0.000 0.279 482 E C -1.117 175.402 176.600 -0.135 0.000 1.068 482 E CA 0.364 56.484 56.400 -0.467 0.000 0.882 482 E CB 0.480 29.969 29.700 -0.352 0.000 1.039 482 E HN 0.053 8.797 8.360 0.159 -0.289 0.418 483 L N 5.548 126.711 121.223 -0.100 0.000 2.375 483 L HA 0.141 nan 4.340 nan 0.000 0.215 483 L C -1.040 175.827 176.870 -0.006 0.000 1.108 483 L CA 0.483 55.346 54.840 0.038 0.000 0.830 483 L CB 1.083 43.265 42.059 0.206 0.000 0.959 483 L HN 0.812 8.831 8.230 -0.168 0.111 0.457 484 D N -3.115 117.239 120.400 -0.077 0.000 2.683 484 D HA 0.189 nan 4.640 nan 0.000 0.246 484 D C -3.039 173.248 176.300 -0.022 0.000 1.238 484 D CA -0.374 53.614 54.000 -0.020 0.000 0.759 484 D CB 2.685 43.479 40.800 -0.010 0.000 1.349 484 D HN -0.817 7.458 8.370 -0.160 0.000 0.426 485 K N 2.082 122.528 120.400 0.078 0.000 2.651 485 K HA 0.476 nan 4.320 nan 0.000 0.259 485 K C -1.884 174.807 176.600 0.151 0.000 1.017 485 K CA -0.238 56.071 56.287 0.036 0.000 0.897 485 K CB 1.715 34.224 32.500 0.015 0.000 1.262 485 K HN 0.143 8.481 8.250 0.146 0.000 0.460 486 F N 0.649 120.584 119.950 -0.025 0.000 2.675 486 F HA 0.433 nan 4.527 nan 0.000 0.324 486 F C -2.392 173.442 175.800 0.057 0.000 1.106 486 F CA -2.510 55.491 58.000 0.002 0.000 0.970 486 F CB 2.574 41.558 39.000 -0.028 0.000 1.385 486 F HN 0.015 8.086 8.300 -0.382 0.000 0.489 487 F N -0.225 119.764 119.950 0.064 0.000 2.436 487 F HA 0.431 nan 4.527 nan 0.000 0.340 487 F C -2.278 173.659 175.800 0.229 0.000 1.113 487 F CA -1.686 56.230 58.000 -0.141 0.000 1.022 487 F CB 2.195 40.804 39.000 -0.652 0.000 1.128 487 F HN -0.041 8.494 8.300 0.392 0.000 0.466 488 Y N 7.200 127.331 120.300 -0.281 0.000 2.638 488 Y HA 0.233 nan 4.550 nan 0.000 0.339 488 Y C -2.270 173.452 175.900 -0.297 0.000 1.084 488 Y CA -1.280 56.605 58.100 -0.359 0.000 1.068 488 Y CB 4.721 43.204 38.460 0.038 0.000 1.294 488 Y HN -0.231 8.144 8.280 0.158 0.000 0.480 489 T N 3.932 118.118 114.554 -0.612 0.000 2.841 489 T HA 0.588 nan 4.350 nan 0.000 0.283 489 T C -1.584 172.943 174.700 -0.288 0.000 1.000 489 T CA -0.648 61.276 62.100 -0.293 0.000 0.977 489 T CB 1.229 69.964 68.868 -0.221 0.000 0.979 489 T HN -0.004 7.436 8.240 -1.334 0.000 0.446 490 L N 5.902 127.072 121.223 -0.090 0.000 2.372 490 L HA 0.431 nan 4.340 nan 0.000 0.273 490 L C -0.499 176.343 176.870 -0.046 0.000 0.989 490 L CA -1.022 53.823 54.840 0.007 0.000 0.841 490 L CB 2.210 44.326 42.059 0.094 0.000 1.225 490 L HN 0.836 8.900 8.230 -0.109 0.100 0.414 491 T N 2.504 117.035 114.554 -0.038 0.000 2.701 491 T HA 0.215 nan 4.350 nan 0.000 0.303 491 T C -0.946 173.736 174.700 -0.029 0.000 1.030 491 T CA -2.134 59.941 62.100 -0.042 0.000 1.010 491 T CB -1.087 67.764 68.868 -0.029 0.000 1.007 491 T HN 0.133 8.564 8.240 -0.010 -0.197 0.532 492 P HA -0.293 nan 4.420 nan 0.000 0.268 492 P C -0.696 176.596 177.300 -0.014 0.000 1.208 492 P CA 0.554 63.638 63.100 -0.028 0.000 0.777 492 P CB 0.117 31.801 31.700 -0.026 0.000 0.875 493 G N 2.278 111.070 108.800 -0.014 0.000 2.542 493 G HA2 -0.420 nan 3.960 nan 0.000 0.235 493 G HA3 -0.420 nan 3.960 nan 0.000 0.235 493 G C -1.473 173.431 174.900 0.006 0.000 1.286 493 G CA -0.371 44.726 45.100 -0.005 0.000 0.904 493 G HN -0.067 8.106 8.290 -0.023 0.103 0.577 494 K N 2.990 123.398 120.400 0.012 0.000 2.419 494 K HA -0.171 nan 4.320 nan 0.000 0.282 494 K C -0.819 175.802 176.600 0.035 0.000 1.056 494 K CA 1.038 57.339 56.287 0.023 0.000 1.035 494 K CB -0.223 32.290 32.500 0.021 0.000 0.921 494 K HN 0.116 8.371 8.250 0.009 0.000 0.472 495 N N 5.480 124.209 118.700 0.049 0.000 2.269 495 N HA 0.304 nan 4.740 nan 0.000 0.304 495 N C -1.688 173.865 175.510 0.073 0.000 1.072 495 N CA -0.514 52.582 53.050 0.076 0.000 0.802 495 N CB 4.255 42.808 38.487 0.109 0.000 1.348 495 N HN 0.549 8.854 8.380 0.045 0.102 0.484 496 T N -2.434 112.166 114.554 0.076 0.000 2.841 496 T HA 0.659 nan 4.350 nan 0.000 0.283 496 T C -1.229 173.481 174.700 0.017 0.000 1.000 496 T CA -1.620 60.510 62.100 0.048 0.000 0.977 496 T CB 1.819 70.709 68.868 0.037 0.000 0.979 496 T HN 0.293 8.588 8.240 0.092 0.000 0.446 497 I N 2.026 122.560 120.570 -0.060 0.000 2.530 497 I HA 0.549 nan 4.170 nan 0.000 0.297 497 I C -1.543 174.497 176.117 -0.129 0.000 1.011 497 I CA -1.390 59.754 61.300 -0.261 0.000 1.107 497 I CB 3.374 41.171 38.000 -0.339 0.000 1.285 497 I HN 0.413 8.616 8.210 -0.012 0.000 0.436 498 V N 5.058 124.874 119.914 -0.163 0.000 2.588 498 V HA 0.596 nan 4.120 nan 0.000 0.304 498 V C -1.475 174.528 176.094 -0.151 0.000 1.042 498 V CA -1.353 60.894 62.300 -0.090 0.000 0.877 498 V CB 1.794 33.580 31.823 -0.062 0.000 0.996 498 V HN 0.118 8.160 8.190 -0.248 0.000 0.425 499 R N 7.279 127.720 120.500 -0.099 0.000 2.510 499 R HA 0.344 nan 4.340 nan 0.000 0.294 499 R C -1.888 174.336 176.300 -0.127 0.000 1.056 499 R CA -1.761 54.234 56.100 -0.175 0.000 0.918 499 R CB 2.962 33.113 30.300 -0.247 0.000 1.187 499 R HN 0.331 8.585 8.270 -0.026 0.000 0.437 500 N N 6.419 125.009 118.700 -0.182 0.000 2.518 500 N HA 0.142 nan 4.740 nan 0.000 0.283 500 N C 0.782 176.162 175.510 -0.216 0.000 1.119 500 N CA -0.423 52.509 53.050 -0.196 0.000 0.983 500 N CB 0.874 39.278 38.487 -0.138 0.000 1.139 500 N HN 0.464 8.724 8.380 -0.199 0.000 0.465 501 H N 3.477 122.365 119.070 -0.303 0.000 2.375 501 H HA -0.540 nan 4.556 nan 0.000 0.289 501 H C 1.784 177.114 175.328 0.005 0.000 1.121 501 H CA 4.296 60.236 56.048 -0.180 0.000 1.207 501 H CB -0.050 29.757 29.762 0.074 0.000 1.355 501 H HN 0.648 8.790 8.280 -0.230 0.000 0.486 502 Q N -1.442 117.945 119.800 -0.688 0.000 2.124 502 Q HA -0.265 nan 4.340 nan 0.000 0.202 502 Q C 0.966 176.835 176.000 -0.218 0.000 0.977 502 Q CA 2.411 57.854 55.803 -0.599 0.000 0.850 502 Q CB -0.753 27.753 28.738 -0.387 0.000 0.901 502 Q HN 0.337 8.261 8.270 -0.476 0.061 0.429 503 D N -2.555 117.737 120.400 -0.180 0.000 2.344 503 D HA 0.169 nan 4.640 nan 0.000 0.242 503 D C -0.399 175.854 176.300 -0.079 0.000 1.159 503 D CA -0.983 52.944 54.000 -0.120 0.000 0.859 503 D CB -0.522 40.185 40.800 -0.155 0.000 0.925 503 D HN -0.688 7.524 8.370 -0.219 0.026 0.510 504 S N 0.642 116.321 115.700 -0.034 0.000 2.544 504 S HA -0.161 nan 4.470 nan 0.000 0.290 504 S C 0.749 175.342 174.600 -0.012 0.000 1.276 504 S CA 0.678 58.883 58.200 0.009 0.000 1.075 504 S CB 0.330 63.574 63.200 0.074 0.000 0.849 504 S HN -0.750 7.439 8.310 -0.041 0.097 0.494 505 S N 9.082 124.771 115.700 -0.018 0.000 2.727 505 S HA 0.004 nan 4.470 nan 0.000 0.226 505 S C 0.171 174.725 174.600 -0.077 0.000 0.963 505 S CA 1.700 59.887 58.200 -0.022 0.000 0.950 505 S CB -0.689 62.516 63.200 0.008 0.000 0.779 505 S HN 0.390 8.850 8.310 -0.002 -0.151 0.532 506 V N -6.542 113.267 119.914 -0.175 0.000 3.635 506 V HA 0.382 nan 4.120 nan 0.000 0.266 506 V C -0.992 175.032 176.094 -0.116 0.000 1.316 506 V CA 0.014 62.066 62.300 -0.413 0.000 1.060 506 V CB 0.830 32.013 31.823 -1.066 0.000 0.820 506 V HN -0.761 7.260 8.190 -0.121 0.096 0.447 507 T N -1.105 113.454 114.554 0.008 0.000 2.928 507 T HA 0.486 nan 4.350 nan 0.000 0.284 507 T C -0.842 173.925 174.700 0.112 0.000 1.008 507 T CA -2.042 60.124 62.100 0.110 0.000 1.057 507 T CB 1.447 70.394 68.868 0.131 0.000 1.018 507 T HN -0.712 7.520 8.240 -0.014 0.000 0.493 508 I N 4.190 124.837 120.570 0.128 0.000 2.474 508 I HA -0.065 nan 4.170 nan 0.000 0.287 508 I C -0.846 175.315 176.117 0.073 0.000 1.048 508 I CA -1.326 60.026 61.300 0.088 0.000 1.383 508 I CB 1.360 39.414 38.000 0.091 0.000 1.412 508 I HN -0.014 8.288 8.210 0.153 0.000 0.531 509 S N 8.053 123.774 115.700 0.034 0.000 2.338 509 S HA 0.006 nan 4.470 nan 0.000 0.197 509 S C 0.058 174.667 174.600 0.015 0.000 0.990 509 S CA 0.961 59.179 58.200 0.029 0.000 0.920 509 S CB 0.843 64.043 63.200 0.000 0.000 0.903 509 S HN -0.254 8.223 8.310 0.015 -0.157 0.542 510 K N 2.721 123.103 120.400 -0.029 0.000 2.285 510 K HA 0.066 nan 4.320 nan 0.000 0.286 510 K C -0.561 175.991 176.600 -0.079 0.000 1.072 510 K CA -0.996 55.263 56.287 -0.046 0.000 0.913 510 K CB 0.267 32.727 32.500 -0.066 0.000 1.067 510 K HN -0.188 8.035 8.250 -0.046 0.000 0.479 511 V N 4.527 124.423 119.914 -0.030 0.000 3.214 511 V HA 0.230 nan 4.120 nan 0.000 0.306 511 V C -0.606 175.464 176.094 -0.039 0.000 1.078 511 V CA -1.234 61.050 62.300 -0.027 0.000 1.077 511 V CB 1.074 32.911 31.823 0.024 0.000 1.121 511 V HN 0.032 8.224 8.190 0.003 0.000 0.468 512 R N 3.325 123.813 120.500 -0.019 0.000 2.518 512 R HA 0.260 nan 4.340 nan 0.000 0.296 512 R C -1.402 174.915 176.300 0.027 0.000 1.080 512 R CA -1.085 55.019 56.100 0.007 0.000 0.922 512 R CB 2.110 32.433 30.300 0.038 0.000 1.184 512 R HN 0.072 8.339 8.270 -0.003 0.000 0.445 513 T N 4.139 118.701 114.554 0.014 0.000 2.898 513 T HA 0.125 nan 4.350 nan 0.000 0.301 513 T C 0.934 175.648 174.700 0.023 0.000 1.049 513 T CA -0.793 61.308 62.100 0.002 0.000 1.095 513 T CB 1.145 69.999 68.868 -0.023 0.000 0.976 513 T HN 0.154 8.399 8.240 0.009 0.000 0.539 514 F N 5.488 125.337 119.950 -0.169 0.000 2.225 514 F HA -0.445 nan 4.527 nan 0.000 0.302 514 F C 0.898 176.665 175.800 -0.054 0.000 1.068 514 F CA 3.684 61.604 58.000 -0.132 0.000 1.327 514 F CB 0.455 39.303 39.000 -0.254 0.000 1.043 514 F HN 0.383 9.037 8.300 0.047 -0.326 0.506 515 D N -2.103 118.316 120.400 0.032 0.000 2.144 515 D HA -0.251 nan 4.640 nan 0.000 0.200 515 D C 2.611 178.892 176.300 -0.031 0.000 0.978 515 D CA 3.273 57.298 54.000 0.042 0.000 0.833 515 D CB -0.653 40.191 40.800 0.074 0.000 0.961 515 D HN -0.616 7.716 8.370 0.007 0.042 0.470 516 Q N -0.574 119.205 119.800 -0.035 0.000 2.030 516 Q HA -0.306 nan 4.340 nan 0.000 0.204 516 Q C 2.556 178.506 176.000 -0.083 0.000 0.986 516 Q CA 2.888 58.670 55.803 -0.034 0.000 0.843 516 Q CB -0.016 28.722 28.738 -0.001 0.000 0.904 516 Q HN -0.585 7.673 8.270 -0.020 0.000 0.420 517 L N -1.569 119.562 121.223 -0.154 0.000 2.042 517 L HA -0.306 nan 4.340 nan 0.000 0.210 517 L C 2.410 179.096 176.870 -0.307 0.000 1.076 517 L CA 2.168 56.855 54.840 -0.254 0.000 0.749 517 L CB -0.684 41.138 42.059 -0.395 0.000 0.893 517 L HN -0.570 7.579 8.230 -0.135 0.000 0.432 518 G N -2.388 106.200 108.800 -0.353 0.000 2.517 518 G HA2 -0.331 nan 3.960 nan 0.000 0.222 518 G HA3 -0.331 nan 3.960 nan 0.000 0.222 518 G C -0.272 174.563 174.900 -0.109 0.000 1.109 518 G CA 1.348 46.325 45.100 -0.205 0.000 0.746 518 G HN 0.092 8.116 8.290 -0.443 0.000 0.576 519 A N 0.478 123.243 122.820 -0.091 0.000 2.134 519 A HA 0.405 nan 4.320 nan 0.000 0.223 519 A C -0.613 176.928 177.584 -0.072 0.000 1.738 519 A CA -0.044 51.955 52.037 -0.062 0.000 0.722 519 A CB 1.476 20.453 19.000 -0.039 0.000 1.346 519 A HN -0.242 7.712 8.150 -0.098 0.138 0.557 520 G N -1.843 106.917 108.800 -0.066 0.000 2.931 520 G HA2 -0.185 nan 3.960 nan 0.000 0.675 520 G HA3 -0.185 nan 3.960 nan 0.000 0.675 520 G C -1.967 172.908 174.900 -0.040 0.000 1.339 520 G CA -0.304 44.756 45.100 -0.067 0.000 0.866 520 G HN -0.333 7.923 8.290 -0.057 0.000 0.616 521 E N 1.621 121.804 120.200 -0.028 0.000 2.393 521 E HA 0.332 nan 4.350 nan 0.000 0.265 521 E C -0.241 176.350 176.600 -0.016 0.000 0.941 521 E CA -1.036 55.363 56.400 -0.002 0.000 0.801 521 E CB 2.280 32.008 29.700 0.048 0.000 1.313 521 E HN 0.258 8.595 8.360 -0.038 0.000 0.435 522 G N 0.707 109.508 108.800 0.003 0.000 2.873 522 G HA2 0.186 nan 3.960 nan 0.000 0.340 522 G HA3 0.186 nan 3.960 nan 0.000 0.340 522 G C -1.637 173.287 174.900 0.041 0.000 1.171 522 G CA -0.124 44.975 45.100 -0.001 0.000 1.113 522 G HN 0.298 8.594 8.290 0.011 0.000 0.471 523 V N 2.811 122.784 119.914 0.098 0.000 2.840 523 V HA 0.134 nan 4.120 nan 0.000 0.234 523 V C 0.040 176.216 176.094 0.137 0.000 1.159 523 V CA 1.167 63.554 62.300 0.145 0.000 1.194 523 V CB 0.651 32.619 31.823 0.241 0.000 0.971 523 V HN 0.481 8.725 8.190 0.091 0.000 0.494 524 S N 0.275 116.093 115.700 0.196 0.000 4.228 524 S HA 0.232 nan 4.470 nan 0.000 0.207 524 S C -1.210 173.312 174.600 -0.130 0.000 1.152 524 S CA -0.302 57.922 58.200 0.040 0.000 1.645 524 S CB 1.717 64.950 63.200 0.054 0.000 1.307 524 S HN -0.631 7.942 8.310 0.438 0.000 0.761 525 E N -0.599 119.462 120.200 -0.231 0.000 2.903 525 E HA 0.158 nan 4.350 nan 0.000 0.300 525 E C -2.084 174.361 176.600 -0.258 0.000 1.063 525 E CA 0.149 56.362 56.400 -0.311 0.000 1.040 525 E CB 1.299 30.884 29.700 -0.191 0.000 1.244 525 E HN 0.187 8.465 8.360 -0.137 0.000 0.400 526 D N -0.835 119.388 120.400 -0.295 0.000 2.723 526 D HA 0.436 nan 4.640 nan 0.000 0.205 526 D C -0.487 175.723 176.300 -0.151 0.000 1.295 526 D CA -0.922 52.992 54.000 -0.143 0.000 1.112 526 D CB 2.527 43.316 40.800 -0.019 0.000 1.193 526 D HN -0.067 7.983 8.370 -0.533 0.000 0.610 527 S N -1.521 114.141 115.700 -0.062 0.000 3.733 527 S HA 0.211 nan 4.470 nan 0.000 0.178 527 S C 1.315 175.895 174.600 -0.033 0.000 1.032 527 S CA 1.117 59.275 58.200 -0.070 0.000 1.191 527 S CB 0.580 63.712 63.200 -0.114 0.000 1.657 527 S HN -0.082 8.210 8.310 -0.031 0.000 0.863 528 T N 2.606 117.103 114.554 -0.096 0.000 3.088 528 T HA 0.049 nan 4.350 nan 0.000 0.259 528 T C 0.173 174.749 174.700 -0.208 0.000 1.122 528 T CA 2.627 64.636 62.100 -0.153 0.000 1.095 528 T CB -0.617 68.169 68.868 -0.137 0.000 0.930 528 T HN 0.327 8.483 8.240 -0.140 0.000 0.508 529 E N 0.935 121.086 120.200 -0.082 0.000 2.025 529 E HA -0.198 nan 4.350 nan 0.000 0.198 529 E C 0.969 177.607 176.600 0.062 0.000 0.955 529 E CA 0.304 56.702 56.400 -0.002 0.000 0.862 529 E CB -0.464 29.241 29.700 0.008 0.000 0.837 529 E HN -0.565 7.716 8.360 -0.079 0.032 0.488 530 Y N -0.014 120.273 120.300 -0.021 0.000 2.787 530 Y HA -0.518 nan 4.550 nan 0.000 0.499 530 Y C -0.821 175.088 175.900 0.015 0.000 0.866 530 Y CA 2.362 60.456 58.100 -0.010 0.000 3.325 530 Y CB -0.735 37.703 38.460 -0.036 0.000 0.742 530 Y HN 0.161 8.531 8.280 0.150 0.000 0.564 531 C N -7.263 111.818 119.300 -0.364 0.000 3.724 531 C HA 0.354 nan 4.460 nan 0.000 0.325 531 C C -1.155 173.797 174.990 -0.063 0.000 2.763 531 C CA -1.885 56.937 59.018 -0.327 0.000 1.574 531 C CB -0.085 27.348 27.740 -0.511 0.000 3.199 531 C HN -0.178 7.924 8.230 -0.108 0.063 0.384 532 S N -0.424 115.293 115.700 0.028 0.000 2.364 532 S HA 0.170 nan 4.470 nan 0.000 0.274 532 S C -0.601 174.189 174.600 0.315 0.000 1.016 532 S CA 1.174 59.478 58.200 0.173 0.000 1.332 532 S CB 1.310 64.528 63.200 0.030 0.000 1.056 532 S HN 0.163 8.477 8.310 0.007 0.000 0.525 533 C N -0.308 119.131 119.300 0.231 0.000 2.590 533 C HA 0.195 nan 4.460 nan 0.000 0.354 533 C C 0.089 175.354 174.990 0.459 0.000 1.622 533 C CA 0.982 60.222 59.018 0.369 0.000 2.050 533 C CB 1.126 29.025 27.740 0.265 0.000 1.960 533 C HN -0.404 7.780 8.230 0.127 0.122 0.550 534 G N -1.284 107.901 108.800 0.642 0.000 2.719 534 G HA2 -0.285 nan 3.960 nan 0.000 0.686 534 G HA3 -0.285 nan 3.960 nan 0.000 0.686 534 G C -1.537 173.545 174.900 0.304 0.000 1.201 534 G CA -0.613 44.735 45.100 0.413 0.000 0.768 534 G HN -0.074 8.732 8.290 0.860 0.000 0.629 535 W N 1.943 123.223 121.300 -0.033 0.000 2.190 535 W HA 0.029 nan 4.660 nan 0.000 0.330 535 W C -1.282 175.248 176.519 0.018 0.000 1.299 535 W CA -1.847 55.465 57.345 -0.056 0.000 1.215 535 W CB 1.173 30.721 29.460 0.147 0.000 1.147 535 W HN 0.687 9.033 8.180 0.403 0.076 0.563 536 P HA -0.126 nan 4.420 nan 0.000 0.268 536 P C -0.416 176.855 177.300 -0.049 0.000 1.208 536 P CA 0.032 63.015 63.100 -0.194 0.000 0.777 536 P CB 0.550 31.977 31.700 -0.455 0.000 0.875 537 E N 3.941 124.183 120.200 0.070 0.000 2.016 537 E HA -0.386 nan 4.350 nan 0.000 0.190 537 E C 1.143 177.930 176.600 0.311 0.000 0.985 537 E CA 3.377 59.927 56.400 0.250 0.000 0.802 537 E CB -0.125 29.741 29.700 0.276 0.000 0.762 537 E HN 0.640 9.043 8.360 0.072 0.000 0.448 538 H N -3.448 115.698 119.070 0.127 0.000 2.520 538 H HA -0.176 nan 4.556 nan 0.000 0.295 538 H C 0.190 175.694 175.328 0.293 0.000 1.096 538 H CA 2.125 58.252 56.048 0.132 0.000 1.249 538 H CB -1.053 28.680 29.762 -0.048 0.000 1.365 538 H HN 0.245 8.726 8.280 0.336 0.000 0.556 539 M N -2.259 117.399 119.600 0.096 0.000 2.475 539 M HA 0.193 nan 4.480 nan 0.000 0.283 539 M C -0.166 176.384 176.300 0.416 0.000 1.165 539 M CA -2.641 52.833 55.300 0.289 0.000 0.976 539 M CB -0.747 32.001 32.600 0.248 0.000 1.428 539 M HN -0.737 7.440 8.290 -0.088 0.060 0.495 540 L N 1.195 122.632 121.223 0.357 0.000 2.131 540 L HA -0.187 nan 4.340 nan 0.000 0.210 540 L C -1.117 175.799 176.870 0.077 0.000 1.092 540 L CA 2.804 57.794 54.840 0.250 0.000 0.759 540 L CB 0.489 42.673 42.059 0.209 0.000 0.903 540 L HN -0.148 8.147 8.230 0.404 0.178 0.435 541 I N -3.588 116.954 120.570 -0.048 0.000 2.478 541 I HA 0.208 nan 4.170 nan 0.000 0.287 541 I C -2.601 173.470 176.117 -0.078 0.000 1.042 541 I CA -3.321 57.891 61.300 -0.147 0.000 1.067 541 I CB 1.872 39.648 38.000 -0.374 0.000 1.233 541 I HN -0.544 7.660 8.210 0.024 0.021 0.431 542 P HA 0.005 nan 4.420 nan 0.000 0.270 542 P C -1.408 175.821 177.300 -0.118 0.000 1.221 542 P CA -0.230 62.823 63.100 -0.077 0.000 0.788 542 P CB 0.682 32.319 31.700 -0.105 0.000 0.904 543 R N 1.433 121.884 120.500 -0.082 0.000 2.127 543 R HA -0.376 nan 4.340 nan 0.000 0.238 543 R C 0.812 177.084 176.300 -0.045 0.000 1.134 543 R CA 1.889 57.908 56.100 -0.136 0.000 0.975 543 R CB 0.460 30.496 30.300 -0.440 0.000 0.865 543 R HN 0.235 8.837 8.270 -0.033 -0.352 0.447 544 G N -2.321 106.483 108.800 0.007 0.000 2.561 544 G HA2 -0.411 nan 3.960 nan 0.000 0.289 544 G HA3 -0.411 nan 3.960 nan 0.000 0.289 544 G C -1.061 173.911 174.900 0.119 0.000 1.169 544 G CA 0.187 45.385 45.100 0.163 0.000 0.980 544 G HN -0.520 7.740 8.290 0.010 0.036 0.550 545 S N -0.549 115.228 115.700 0.128 0.000 2.625 545 S HA 0.275 nan 4.470 nan 0.000 0.271 545 S C 0.191 174.885 174.600 0.158 0.000 1.161 545 S CA -1.040 57.229 58.200 0.114 0.000 0.820 545 S CB 2.816 66.060 63.200 0.072 0.000 1.137 545 S HN -0.464 7.928 8.310 0.136 0.000 0.470 546 H N 3.995 123.129 119.070 0.106 0.000 2.423 546 H HA -0.172 nan 4.556 nan 0.000 0.297 546 H C -0.412 174.949 175.328 0.056 0.000 1.075 546 H CA 2.360 58.467 56.048 0.098 0.000 1.342 546 H CB 0.326 30.140 29.762 0.087 0.000 1.395 546 H HN 0.661 9.083 8.280 0.235 0.000 0.530 547 K N -5.173 115.175 120.400 -0.086 0.000 2.147 547 K HA -0.187 nan 4.320 nan 0.000 0.205 547 K C 0.399 176.947 176.600 -0.086 0.000 1.049 547 K CA 0.468 56.693 56.287 -0.103 0.000 0.936 547 K CB -0.109 32.369 32.500 -0.037 0.000 0.722 547 K HN -0.217 8.027 8.250 0.025 0.021 0.446 548 G N 0.839 109.618 108.800 -0.035 0.000 3.055 548 G HA2 -0.289 nan 3.960 nan 0.000 0.654 548 G HA3 -0.289 nan 3.960 nan 0.000 0.654 548 G C -1.398 173.553 174.900 0.087 0.000 1.134 548 G CA -0.599 44.513 45.100 0.019 0.000 1.049 548 G HN -0.587 7.518 8.290 -0.020 0.173 0.458 549 M N 2.580 122.281 119.600 0.169 0.000 2.283 549 M HA 0.149 nan 4.480 nan 0.000 0.314 549 M C -2.080 174.447 176.300 0.378 0.000 1.153 549 M CA -0.464 54.983 55.300 0.246 0.000 1.084 549 M CB 3.173 35.960 32.600 0.310 0.000 1.468 549 M HN 0.199 8.595 8.290 0.176 0.000 0.474 550 E N 0.675 121.042 120.200 0.278 0.000 2.224 550 E HA 0.705 nan 4.350 nan 0.000 0.265 550 E C -1.446 175.145 176.600 -0.015 0.000 0.878 550 E CA -1.142 55.377 56.400 0.199 0.000 0.759 550 E CB 2.608 32.392 29.700 0.140 0.000 1.164 550 E HN 0.143 8.595 8.360 0.153 0.000 0.414 551 F N 4.531 124.465 119.950 -0.026 0.000 2.814 551 F HA 0.702 nan 4.527 nan 0.000 0.353 551 F C -1.336 174.435 175.800 -0.047 0.000 1.177 551 F CA -1.333 56.643 58.000 -0.040 0.000 1.036 551 F CB 5.004 43.993 39.000 -0.018 0.000 1.455 551 F HN 0.821 9.276 8.300 0.258 0.000 0.520 552 E N -0.404 119.912 120.200 0.194 0.000 2.265 552 E HA 0.351 nan 4.350 nan 0.000 0.262 552 E C -2.024 174.724 176.600 0.247 0.000 0.889 552 E CA -1.344 55.129 56.400 0.120 0.000 0.789 552 E CB 3.581 33.279 29.700 -0.002 0.000 1.221 552 E HN 0.536 8.985 8.360 0.289 0.084 0.414 553 L N 8.394 129.772 121.223 0.258 0.000 2.287 553 L HA 0.371 nan 4.340 nan 0.000 0.280 553 L C -2.183 174.947 176.870 0.432 0.000 1.055 553 L CA -0.761 54.299 54.840 0.367 0.000 0.863 553 L CB 0.983 43.253 42.059 0.351 0.000 1.245 553 L HN 0.073 8.416 8.230 0.188 0.000 0.432 554 F N 8.947 129.144 119.950 0.411 0.000 2.411 554 F HA 0.512 nan 4.527 nan 0.000 0.352 554 F C -1.814 174.237 175.800 0.418 0.000 1.123 554 F CA -2.801 55.438 58.000 0.400 0.000 1.044 554 F CB 2.053 41.333 39.000 0.466 0.000 1.135 554 F HN 0.389 9.009 8.300 0.740 0.124 0.461 555 V N 8.127 128.458 119.914 0.694 0.000 2.630 555 V HA 0.642 nan 4.120 nan 0.000 0.305 555 V C -2.066 174.207 176.094 0.297 0.000 1.046 555 V CA -1.848 60.688 62.300 0.394 0.000 0.934 555 V CB 2.596 34.567 31.823 0.246 0.000 1.003 555 V HN 0.976 9.497 8.190 0.744 0.115 0.451 556 M N 3.598 123.283 119.600 0.143 0.000 2.530 556 M HA 0.739 nan 4.480 nan 0.000 0.307 556 M C -2.237 174.056 176.300 -0.012 0.000 1.161 556 M CA -1.496 53.817 55.300 0.023 0.000 0.903 556 M CB 4.433 36.966 32.600 -0.111 0.000 1.711 556 M HN 0.672 9.050 8.290 0.147 0.000 0.451 557 L N 5.218 126.437 121.223 -0.007 0.000 2.316 557 L HA 0.592 nan 4.340 nan 0.000 0.280 557 L C -1.758 174.947 176.870 -0.276 0.000 1.006 557 L CA -0.651 54.139 54.840 -0.082 0.000 0.836 557 L CB 0.877 43.017 42.059 0.134 0.000 1.221 557 L HN 0.561 8.820 8.230 0.047 0.000 0.418 558 T N 4.793 119.091 114.554 -0.426 0.000 2.937 558 T HA 0.371 nan 4.350 nan 0.000 0.283 558 T C -1.515 172.605 174.700 -0.968 0.000 1.012 558 T CA -1.655 60.105 62.100 -0.568 0.000 0.997 558 T CB 2.011 70.751 68.868 -0.212 0.000 1.136 558 T HN 0.485 8.556 8.240 -0.282 0.000 0.551 559 D N 0.375 120.333 120.400 -0.736 0.000 2.255 559 D HA 0.230 nan 4.640 nan 0.000 0.249 559 D C 0.166 176.356 176.300 -0.184 0.000 1.078 559 D CA -0.543 53.175 54.000 -0.470 0.000 0.896 559 D CB 1.787 42.558 40.800 -0.048 0.000 1.194 559 D HN 0.308 8.412 8.370 -0.443 0.000 0.429 560 H N 5.515 124.541 119.070 -0.072 0.000 2.448 560 H HA -0.095 nan 4.556 nan 0.000 0.292 560 H C 2.041 177.278 175.328 -0.151 0.000 1.035 560 H CA 3.125 59.117 56.048 -0.093 0.000 1.349 560 H CB 0.947 30.692 29.762 -0.028 0.000 1.425 560 H HN 0.347 8.651 8.280 0.185 0.087 0.539 561 D N -1.164 119.157 120.400 -0.133 0.000 2.183 561 D HA -0.180 nan 4.640 nan 0.000 0.203 561 D C 1.327 177.519 176.300 -0.180 0.000 0.969 561 D CA 3.054 56.952 54.000 -0.171 0.000 0.842 561 D CB -0.269 40.510 40.800 -0.034 0.000 0.957 561 D HN -0.042 8.607 8.370 0.055 -0.246 0.484 562 E N 0.092 120.204 120.200 -0.145 0.000 2.006 562 E HA -0.265 nan 4.350 nan 0.000 0.192 562 E C 1.132 177.592 176.600 -0.233 0.000 0.993 562 E CA 2.467 58.773 56.400 -0.156 0.000 0.808 562 E CB 0.401 30.025 29.700 -0.127 0.000 0.764 562 E HN -0.764 7.756 8.360 -0.088 -0.213 0.449 563 D N -3.143 117.077 120.400 -0.300 0.000 2.178 563 D HA -0.050 nan 4.640 nan 0.000 0.201 563 D C 0.640 176.706 176.300 -0.391 0.000 0.980 563 D CA 1.758 55.563 54.000 -0.324 0.000 0.842 563 D CB 0.585 41.217 40.800 -0.281 0.000 0.948 563 D HN -0.225 7.860 8.370 -0.287 0.114 0.472 564 T N 0.924 115.118 114.554 -0.600 0.000 2.814 564 T HA -0.004 nan 4.350 nan 0.000 0.297 564 T C 0.518 175.051 174.700 -0.278 0.000 0.956 564 T CA 0.479 62.275 62.100 -0.507 0.000 1.123 564 T CB 0.427 68.913 68.868 -0.636 0.000 0.902 564 T HN -0.371 7.373 8.240 -0.676 0.091 0.528 565 V N 4.153 123.955 119.914 -0.187 0.000 2.694 565 V HA -0.031 nan 4.120 nan 0.000 0.306 565 V C -0.765 175.258 176.094 -0.117 0.000 1.054 565 V CA -0.439 61.787 62.300 -0.123 0.000 1.161 565 V CB 0.250 32.026 31.823 -0.077 0.000 0.916 565 V HN -0.282 7.800 8.190 -0.180 0.000 0.490 566 A N 4.771 127.534 122.820 -0.095 0.000 2.303 566 A HA 0.463 nan 4.320 nan 0.000 0.317 566 A C -0.628 176.925 177.584 -0.053 0.000 1.149 566 A CA -0.211 51.778 52.037 -0.079 0.000 0.822 566 A CB 1.098 20.053 19.000 -0.074 0.000 1.131 566 A HN 0.307 8.405 8.150 -0.087 0.000 0.493 567 G N -0.056 108.718 108.800 -0.043 0.000 2.313 567 G HA2 0.013 nan 3.960 nan 0.000 0.296 567 G HA3 0.013 nan 3.960 nan 0.000 0.296 567 G C -2.281 172.605 174.900 -0.024 0.000 1.356 567 G CA -0.098 44.986 45.100 -0.028 0.000 0.833 567 G HN -0.081 8.180 8.290 -0.048 0.000 0.552 568 L N 0.513 121.727 121.223 -0.014 0.000 2.406 568 L HA 0.410 nan 4.340 nan 0.000 0.270 568 L C -0.502 176.365 176.870 -0.005 0.000 0.982 568 L CA 0.281 55.115 54.840 -0.011 0.000 0.843 568 L CB 1.388 43.442 42.059 -0.009 0.000 1.225 568 L HN 0.277 8.501 8.230 -0.010 0.000 0.412 569 S N 3.757 119.454 115.700 -0.005 0.000 3.576 569 S HA 0.163 nan 4.470 nan 0.000 0.179 569 S C -0.932 173.668 174.600 -0.000 0.000 0.977 569 S CA -0.582 57.618 58.200 -0.001 0.000 1.189 569 S CB 0.842 64.041 63.200 -0.001 0.000 1.443 569 S HN 0.548 8.853 8.310 -0.009 0.000 0.874 570 E N 0.428 120.628 120.200 0.000 0.000 2.446 570 E HA 0.209 nan 4.350 nan 0.000 0.269 570 E C -1.666 174.936 176.600 0.003 0.000 0.977 570 E CA -0.298 56.103 56.400 0.001 0.000 0.854 570 E CB 1.480 31.182 29.700 0.003 0.000 1.545 570 E HN 0.045 8.404 8.360 -0.001 0.000 0.448 571 N N -0.299 118.403 118.700 0.004 0.000 2.250 571 N HA -0.136 nan 4.740 nan 0.000 0.256 571 N C -1.419 174.098 175.510 0.012 0.000 1.302 571 N CA 0.075 53.129 53.050 0.007 0.000 0.894 571 N CB 0.357 38.847 38.487 0.006 0.000 1.067 571 N HN 0.015 8.397 8.380 0.002 0.000 0.487 572 A N -1.859 120.970 122.820 0.015 0.000 2.404 572 A HA 0.046 nan 4.320 nan 0.000 0.273 572 A C -1.386 176.210 177.584 0.021 0.000 1.144 572 A CA 0.241 52.289 52.037 0.018 0.000 0.806 572 A CB 0.453 19.464 19.000 0.018 0.000 1.080 572 A HN 0.011 8.169 8.150 0.014 0.000 0.509 573 V N 4.032 123.962 119.914 0.026 0.000 5.000 573 V HA 0.185 nan 4.120 nan 0.000 0.311 573 V C -0.597 175.525 176.094 0.046 0.000 1.608 573 V CA -0.691 61.631 62.300 0.036 0.000 0.814 573 V CB 1.945 33.784 31.823 0.028 0.000 1.241 573 V HN -0.082 8.123 8.190 0.025 0.000 0.451 574 C N 3.369 122.704 119.300 0.058 0.000 3.424 574 C HA 0.215 nan 4.460 nan 0.000 0.577 574 C C 0.027 175.050 174.990 0.055 0.000 1.086 574 C CA -0.295 58.762 59.018 0.065 0.000 1.153 574 C CB -3.252 24.537 27.740 0.081 0.000 1.411 574 C HN 0.460 8.724 8.230 0.057 0.000 0.636 575 S N 3.063 118.790 115.700 0.044 0.000 2.559 575 S HA 0.152 nan 4.470 nan 0.000 0.226 575 S C 0.549 175.174 174.600 0.042 0.000 1.000 575 S CA 1.014 59.237 58.200 0.039 0.000 0.948 575 S CB 1.208 64.422 63.200 0.023 0.000 0.870 575 S HN 0.214 8.469 8.310 0.039 0.079 0.497 576 D N 3.278 123.703 120.400 0.042 0.000 2.103 576 D HA -0.261 nan 4.640 nan 0.000 0.190 576 D C 0.413 176.741 176.300 0.047 0.000 0.997 576 D CA 2.967 56.987 54.000 0.033 0.000 0.833 576 D CB -0.219 40.596 40.800 0.026 0.000 0.961 576 D HN -0.088 8.252 8.370 0.043 0.056 0.447 577 A N -0.807 122.063 122.820 0.084 0.000 2.728 577 A HA 0.090 nan 4.320 nan 0.000 0.258 577 A C 1.252 178.921 177.584 0.142 0.000 1.454 577 A CA -0.212 51.892 52.037 0.113 0.000 1.146 577 A CB -1.294 17.826 19.000 0.198 0.000 0.985 577 A HN -0.160 8.046 8.150 0.093 0.000 0.603 578 V N -2.232 117.736 119.914 0.090 0.000 2.380 578 V HA -0.444 nan 4.120 nan 0.000 0.251 578 V C 1.408 177.613 176.094 0.185 0.000 1.063 578 V CA 2.741 65.088 62.300 0.079 0.000 1.055 578 V CB -1.230 30.565 31.823 -0.046 0.000 0.657 578 V HN 0.238 8.386 8.190 0.055 0.075 0.455 579 S N 2.909 118.729 115.700 0.200 0.000 2.349 579 S HA -0.258 nan 4.470 nan 0.000 0.216 579 S C 1.676 176.673 174.600 0.661 0.000 1.033 579 S CA 3.213 61.661 58.200 0.414 0.000 1.021 579 S CB 0.055 63.338 63.200 0.138 0.000 0.968 579 S HN 0.236 8.496 8.310 0.085 0.101 0.426 580 Y N -2.585 117.928 120.300 0.355 0.000 2.546 580 Y HA 0.037 nan 4.550 nan 0.000 0.287 580 Y C 0.065 176.274 175.900 0.515 0.000 1.158 580 Y CA -0.127 58.158 58.100 0.308 0.000 1.307 580 Y CB -0.302 38.224 38.460 0.109 0.000 1.036 580 Y HN 0.082 8.521 8.280 0.264 0.000 0.532 581 C N -4.774 114.941 119.300 0.691 0.000 3.217 581 C HA 0.401 nan 4.460 nan 0.000 0.220 581 C C -0.847 174.443 174.990 0.500 0.000 2.519 581 C CA 0.008 59.426 59.018 0.666 0.000 1.255 581 C CB 3.161 31.255 27.740 0.590 0.000 1.291 581 C HN -0.535 7.955 8.230 0.609 0.106 0.714 582 G N -0.829 108.193 108.800 0.370 0.000 2.240 582 G HA2 -0.091 nan 3.960 nan 0.000 0.199 582 G HA3 -0.091 nan 3.960 nan 0.000 0.199 582 G C -2.712 172.278 174.900 0.151 0.000 1.342 582 G CA 0.164 45.426 45.100 0.271 0.000 1.145 582 G HN 0.025 8.514 8.290 0.332 0.000 0.477 583 A N -0.318 122.568 122.820 0.109 0.000 2.609 583 A HA 0.242 nan 4.320 nan 0.000 0.291 583 A C -1.822 175.788 177.584 0.043 0.000 1.096 583 A CA -0.829 51.244 52.037 0.060 0.000 0.684 583 A CB 2.459 21.478 19.000 0.032 0.000 1.282 583 A HN 0.055 8.282 8.150 0.129 0.000 0.412 584 R N -0.264 120.251 120.500 0.025 0.000 2.407 584 R HA 0.093 nan 4.340 nan 0.000 0.303 584 R C -0.614 175.692 176.300 0.010 0.000 0.981 584 R CA 0.067 56.172 56.100 0.008 0.000 0.905 584 R CB 0.676 30.973 30.300 -0.005 0.000 1.099 584 R HN 0.480 8.765 8.270 0.025 0.000 0.459 585 D N 0.445 120.849 120.400 0.007 0.000 2.713 585 D HA -0.313 nan 4.640 nan 0.000 0.231 585 D C -1.482 174.829 176.300 0.018 0.000 1.173 585 D CA 1.507 55.515 54.000 0.013 0.000 0.628 585 D CB -0.428 40.383 40.800 0.018 0.000 1.033 585 D HN 0.258 8.625 8.370 -0.004 0.000 0.419 586 D N -2.063 118.352 120.400 0.024 0.000 2.732 586 D HA 0.241 nan 4.640 nan 0.000 0.292 586 D C -1.620 174.705 176.300 0.042 0.000 1.135 586 D CA -1.551 52.463 54.000 0.024 0.000 1.071 586 D CB 2.467 43.275 40.800 0.014 0.000 1.457 586 D HN -0.455 7.917 8.370 0.029 0.015 0.547 587 R N -0.291 120.233 120.500 0.039 0.000 2.719 587 R HA 0.234 nan 4.340 nan 0.000 0.233 587 R C -0.676 175.680 176.300 0.092 0.000 1.257 587 R CA -1.574 54.569 56.100 0.072 0.000 1.109 587 R CB 1.861 32.192 30.300 0.052 0.000 1.447 587 R HN 0.209 8.489 8.270 0.018 0.000 0.537 588 Y N 2.118 122.434 120.300 0.026 0.000 2.637 588 Y HA 0.102 nan 4.550 nan 0.000 0.350 588 Y C -1.312 174.585 175.900 -0.005 0.000 1.069 588 Y CA -1.211 56.903 58.100 0.025 0.000 1.397 588 Y CB 0.425 38.894 38.460 0.015 0.000 1.163 588 Y HN 0.152 8.574 8.280 0.236 0.000 0.527 589 P HA -0.278 nan 4.420 nan 0.000 0.227 589 P C -1.632 175.569 177.300 -0.165 0.000 1.145 589 P CA 1.396 64.370 63.100 -0.209 0.000 0.769 589 P CB -0.102 31.470 31.700 -0.213 0.000 0.769 590 D N -3.546 116.771 120.400 -0.137 0.000 2.391 590 D HA 0.193 nan 4.640 nan 0.000 0.245 590 D C -0.512 175.796 176.300 0.014 0.000 1.069 590 D CA -2.271 51.696 54.000 -0.056 0.000 0.831 590 D CB 2.581 43.392 40.800 0.020 0.000 1.204 590 D HN -0.526 7.666 8.370 -0.104 0.116 0.503 591 K N 6.333 126.671 120.400 -0.104 0.000 2.059 591 K HA -0.347 nan 4.320 nan 0.000 0.212 591 K C 0.621 177.119 176.600 -0.171 0.000 1.050 591 K CA 1.933 58.136 56.287 -0.140 0.000 0.927 591 K CB 0.266 32.643 32.500 -0.204 0.000 0.714 591 K HN -0.089 8.070 8.250 -0.153 0.000 0.447 592 K N -2.334 117.910 120.400 -0.260 0.000 2.168 592 K HA -0.021 nan 4.320 nan 0.000 0.258 592 K C -0.090 176.390 176.600 -0.199 0.000 1.010 592 K CA -0.481 55.574 56.287 -0.388 0.000 0.929 592 K CB 0.582 32.529 32.500 -0.921 0.000 0.998 592 K HN -0.620 7.767 8.250 -0.233 -0.276 0.479 593 A N 2.161 124.891 122.820 -0.151 0.000 2.540 593 A HA -0.060 nan 4.320 nan 0.000 0.239 593 A C -0.131 177.382 177.584 -0.118 0.000 1.061 593 A CA 0.427 52.415 52.037 -0.081 0.000 0.758 593 A CB 0.481 19.517 19.000 0.060 0.000 0.991 593 A HN 0.438 8.486 8.150 -0.170 0.000 0.502 594 M N 3.480 122.853 119.600 -0.378 0.000 2.427 594 M HA -0.281 nan 4.480 nan 0.000 0.345 594 M C 0.868 176.876 176.300 -0.486 0.000 1.653 594 M CA 1.949 56.778 55.300 -0.785 0.000 1.138 594 M CB -0.592 31.052 32.600 -1.592 0.000 1.995 594 M HN 0.430 8.484 8.290 -0.395 0.000 0.459 595 G N 1.326 110.096 108.800 -0.051 0.000 3.134 595 G HA2 -0.191 nan 3.960 nan 0.000 0.195 595 G HA3 -0.191 nan 3.960 nan 0.000 0.195 595 G C -0.680 174.403 174.900 0.305 0.000 1.054 595 G CA -0.534 44.756 45.100 0.316 0.000 0.828 595 G HN -0.062 8.218 8.290 -0.015 0.000 0.462 596 F N 5.391 125.359 119.950 0.029 0.000 2.548 596 F HA -0.149 nan 4.527 nan 0.000 0.403 596 F C -1.789 173.844 175.800 -0.278 0.000 1.004 596 F CA -0.257 57.651 58.000 -0.153 0.000 1.177 596 F CB 0.837 39.736 39.000 -0.168 0.000 0.974 596 F HN -0.325 8.144 8.300 0.283 0.000 0.541 597 P HA -0.200 nan 4.420 nan 0.000 0.223 597 P C 0.038 176.784 177.300 -0.924 0.000 1.151 597 P CA 2.006 64.093 63.100 -1.689 0.000 0.787 597 P CB 0.145 30.784 31.700 -1.768 0.000 0.788 598 F N -2.293 117.402 119.950 -0.426 0.000 2.757 598 F HA 0.046 nan 4.527 nan 0.000 0.292 598 F C -0.065 175.714 175.800 -0.036 0.000 1.204 598 F CA -0.961 56.831 58.000 -0.347 0.000 1.417 598 F CB -1.972 36.603 39.000 -0.709 0.000 1.001 598 F HN 0.127 7.792 8.300 -0.835 0.134 0.508 599 D N 0.303 120.816 120.400 0.188 0.000 2.137 599 D HA -0.158 nan 4.640 nan 0.000 0.202 599 D C 0.592 177.005 176.300 0.188 0.000 0.970 599 D CA 2.433 56.591 54.000 0.265 0.000 0.837 599 D CB 0.248 41.242 40.800 0.323 0.000 0.981 599 D HN -0.081 8.269 8.370 0.141 0.105 0.475 600 R N -1.410 119.178 120.500 0.147 0.000 2.602 600 R HA 0.168 nan 4.340 nan 0.000 0.237 600 R C -1.316 174.982 176.300 -0.004 0.000 1.219 600 R CA -1.105 55.008 56.100 0.023 0.000 1.121 600 R CB 1.692 31.910 30.300 -0.137 0.000 1.408 600 R HN -0.887 7.522 8.270 0.230 0.000 0.559 601 K N -0.221 120.155 120.400 -0.040 0.000 2.401 601 K HA -0.133 nan 4.320 nan 0.000 0.278 601 K C -0.153 176.433 176.600 -0.023 0.000 1.018 601 K CA 0.887 57.157 56.287 -0.030 0.000 0.981 601 K CB 0.130 32.610 32.500 -0.034 0.000 0.933 601 K HN 0.181 8.393 8.250 -0.064 0.000 0.477 602 I N 6.630 127.175 120.570 -0.043 0.000 2.382 602 I HA 0.007 nan 4.170 nan 0.000 0.286 602 I C -0.917 175.198 176.117 -0.002 0.000 1.002 602 I CA -0.678 60.589 61.300 -0.056 0.000 1.135 602 I CB 1.063 38.921 38.000 -0.238 0.000 1.288 602 I HN 0.307 8.832 8.210 -0.041 -0.339 0.448 603 E N 6.268 126.495 120.200 0.044 0.000 2.435 603 E HA -0.096 nan 4.350 nan 0.000 0.195 603 E C -0.159 176.471 176.600 0.051 0.000 1.029 603 E CA 0.838 57.264 56.400 0.044 0.000 0.865 603 E CB 0.356 30.090 29.700 0.056 0.000 0.833 603 E HN 0.448 8.852 8.360 0.074 0.000 0.510 604 A N -1.898 120.965 122.820 0.072 0.000 2.322 604 A HA 0.221 nan 4.320 nan 0.000 0.269 604 A C 0.070 177.688 177.584 0.056 0.000 1.094 604 A CA 0.292 52.382 52.037 0.088 0.000 0.807 604 A CB 0.772 19.870 19.000 0.164 0.000 1.047 604 A HN -0.301 7.826 8.150 0.078 0.070 0.487 605 R N -2.013 118.519 120.500 0.053 0.000 2.265 605 R HA 0.142 nan 4.340 nan 0.000 0.194 605 R C 0.217 176.535 176.300 0.030 0.000 0.931 605 R CA -0.330 55.788 56.100 0.029 0.000 1.032 605 R CB 0.248 30.560 30.300 0.020 0.000 0.980 605 R HN -0.136 8.660 8.270 0.063 -0.488 0.497 606 T N -1.727 112.861 114.554 0.058 0.000 2.876 606 T HA 0.334 nan 4.350 nan 0.000 0.289 606 T C -0.601 174.179 174.700 0.134 0.000 1.014 606 T CA -1.842 60.294 62.100 0.060 0.000 0.986 606 T CB 2.738 71.626 68.868 0.033 0.000 1.021 606 T HN -0.639 7.880 8.240 0.075 -0.235 0.458 607 A N 7.933 130.839 122.820 0.144 0.000 2.084 607 A HA -0.234 nan 4.320 nan 0.000 0.221 607 A C 0.612 178.346 177.584 0.250 0.000 1.161 607 A CA 2.882 55.099 52.037 0.300 0.000 0.653 607 A CB -0.247 18.898 19.000 0.241 0.000 0.802 607 A HN 0.518 8.716 8.150 0.081 0.000 0.457 608 A N -2.385 120.499 122.820 0.107 0.000 1.929 608 A HA -0.206 nan 4.320 nan 0.000 0.216 608 A C 2.383 180.054 177.584 0.145 0.000 1.176 608 A CA 2.296 54.380 52.037 0.079 0.000 0.628 608 A CB 0.125 19.140 19.000 0.025 0.000 0.816 608 A HN -0.256 7.907 8.150 0.068 0.027 0.444 609 E N -0.178 120.123 120.200 0.169 0.000 2.153 609 E HA -0.320 nan 4.350 nan 0.000 0.194 609 E C 1.752 178.499 176.600 0.245 0.000 0.988 609 E CA 2.341 58.844 56.400 0.172 0.000 0.811 609 E CB -0.138 29.657 29.700 0.158 0.000 0.746 609 E HN -0.438 7.905 8.360 0.160 0.112 0.466 610 F N -2.651 117.393 119.950 0.156 0.000 2.699 610 F HA -0.171 nan 4.527 nan 0.000 0.298 610 F C -0.544 175.384 175.800 0.214 0.000 1.154 610 F CA 0.580 58.691 58.000 0.185 0.000 1.457 610 F CB 0.755 39.913 39.000 0.264 0.000 1.106 610 F HN -0.927 7.634 8.300 0.465 0.018 0.585 611 L N 1.128 122.503 121.223 0.252 0.000 2.530 611 L HA -0.151 nan 4.340 nan 0.000 0.273 611 L C -0.910 175.978 176.870 0.031 0.000 1.141 611 L CA 0.130 55.075 54.840 0.174 0.000 0.905 611 L CB 0.315 42.452 42.059 0.130 0.000 1.202 611 L HN -0.706 7.488 8.230 0.262 0.193 0.473 612 T N 3.581 118.118 114.554 -0.028 0.000 2.918 612 T HA 0.483 nan 4.350 nan 0.000 0.283 612 T C -0.673 174.043 174.700 0.027 0.000 1.001 612 T CA -2.937 59.143 62.100 -0.034 0.000 1.041 612 T CB -0.090 68.721 68.868 -0.095 0.000 1.028 612 T HN -0.418 7.784 8.240 -0.064 0.000 0.511 613 P HA -0.048 nan 4.420 nan 0.000 0.236 613 P C -0.987 176.351 177.300 0.064 0.000 1.172 613 P CA 1.548 64.672 63.100 0.040 0.000 0.759 613 P CB -0.402 31.310 31.700 0.020 0.000 0.843 614 N N -6.267 112.481 118.700 0.081 0.000 2.328 614 N HA 0.097 nan 4.740 nan 0.000 0.247 614 N C -1.799 173.780 175.510 0.115 0.000 1.165 614 N CA -1.020 52.106 53.050 0.128 0.000 0.873 614 N CB 0.132 38.747 38.487 0.213 0.000 1.125 614 N HN 0.194 8.535 8.380 0.057 0.074 0.513 615 M N -0.773 118.912 119.600 0.142 0.000 2.619 615 M HA 0.530 nan 4.480 nan 0.000 0.297 615 M C -1.461 175.021 176.300 0.303 0.000 1.229 615 M CA -0.356 55.106 55.300 0.270 0.000 0.860 615 M CB 5.333 38.144 32.600 0.351 0.000 1.741 615 M HN -0.004 8.209 8.290 0.123 0.150 0.462 616 G N 0.202 109.241 108.800 0.399 0.000 2.635 616 G HA2 0.222 nan 3.960 nan 0.000 0.295 616 G HA3 0.222 nan 3.960 nan 0.000 0.295 616 G C -3.003 171.935 174.900 0.063 0.000 1.359 616 G CA 0.403 45.599 45.100 0.160 0.000 1.232 616 G HN 0.234 8.931 8.290 0.680 0.000 0.597 617 L N 3.378 124.462 121.223 -0.232 0.000 2.292 617 L HA 0.578 nan 4.340 nan 0.000 0.284 617 L C -0.635 176.213 176.870 -0.037 0.000 1.065 617 L CA -0.409 54.281 54.840 -0.250 0.000 0.806 617 L CB 1.188 42.996 42.059 -0.418 0.000 1.175 617 L HN 0.264 8.349 8.230 -0.242 0.000 0.431 618 T N 6.329 120.921 114.554 0.063 0.000 2.892 618 T HA 0.283 nan 4.350 nan 0.000 0.311 618 T C -1.303 173.445 174.700 0.081 0.000 1.033 618 T CA -0.661 61.488 62.100 0.083 0.000 0.991 618 T CB 0.907 69.863 68.868 0.148 0.000 0.981 618 T HN 0.450 8.643 8.240 0.115 0.116 0.457 619 D N 6.194 126.616 120.400 0.036 0.000 2.371 619 D HA 0.047 nan 4.640 nan 0.000 0.256 619 D C -0.728 175.605 176.300 0.055 0.000 1.193 619 D CA -0.171 53.847 54.000 0.031 0.000 0.881 619 D CB 0.271 41.059 40.800 -0.021 0.000 1.143 619 D HN 0.213 8.594 8.370 0.018 0.000 0.473 620 I N -3.723 116.901 120.570 0.090 0.000 2.785 620 I HA 0.482 nan 4.170 nan 0.000 0.302 620 I C -1.457 174.729 176.117 0.115 0.000 1.069 620 I CA -2.875 58.471 61.300 0.077 0.000 1.045 620 I CB 3.393 41.423 38.000 0.049 0.000 1.236 620 I HN -0.437 7.843 8.210 0.117 0.000 0.429 621 K N 1.193 121.630 120.400 0.063 0.000 2.118 621 K HA 0.748 nan 4.320 nan 0.000 0.254 621 K C -1.007 175.584 176.600 -0.015 0.000 0.961 621 K CA -2.336 54.000 56.287 0.081 0.000 0.876 621 K CB 1.816 34.344 32.500 0.047 0.000 1.077 621 K HN 0.426 8.580 8.250 0.026 0.111 0.440 622 I N 1.116 121.684 120.570 -0.003 0.000 2.498 622 I HA 0.552 nan 4.170 nan 0.000 0.290 622 I C -2.070 174.045 176.117 -0.004 0.000 1.032 622 I CA -0.970 60.268 61.300 -0.102 0.000 1.073 622 I CB 2.969 40.793 38.000 -0.292 0.000 1.251 622 I HN 0.719 9.004 8.210 0.124 0.000 0.426 623 K N 3.433 123.830 120.400 -0.005 0.000 2.471 623 K HA 0.554 nan 4.320 nan 0.000 0.252 623 K C -1.599 175.062 176.600 0.102 0.000 0.938 623 K CA -2.371 53.936 56.287 0.034 0.000 0.796 623 K CB 3.033 35.515 32.500 -0.031 0.000 1.161 623 K HN 0.509 8.740 8.250 -0.032 0.000 0.425 624 F N 6.646 126.613 119.950 0.028 0.000 2.502 624 F HA -0.045 nan 4.527 nan 0.000 0.371 624 F C -1.471 174.424 175.800 0.158 0.000 1.083 624 F CA -1.168 56.864 58.000 0.053 0.000 1.174 624 F CB 0.558 39.559 39.000 0.001 0.000 1.096 624 F HN 0.301 8.633 8.300 0.270 0.130 0.545 625 H N 10.818 129.521 119.070 -0.611 0.000 3.215 625 H HA -0.053 nan 4.556 nan 0.000 0.253 625 H C -0.304 174.377 175.328 -1.078 0.000 1.102 625 H CA -0.009 55.696 56.048 -0.573 0.000 1.482 625 H CB -0.186 29.350 29.762 -0.376 0.000 1.542 625 H HN 0.168 8.135 8.280 -0.348 0.104 0.498 626 G N 0.000 108.210 108.800 -0.984 0.000 5.446 626 G HA2 0.000 nan 3.960 nan 0.000 0.244 626 G HA3 0.000 nan 3.960 nan 0.000 0.244 626 G CA 0.000 44.667 45.100 -0.721 0.000 0.502 626 G HN 0.000 7.994 8.290 -0.493 0.000 0.925