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_M 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 0.000 174.553 174.700 -0.245 0.000 1.109 1 T CA 0.000 62.030 62.100 -0.116 0.000 1.349 1 T CB 0.000 68.825 68.868 -0.072 0.000 0.612 2 V N 1.902 121.629 119.914 -0.313 0.000 2.759 2 V HA -0.136 nan 4.120 nan 0.000 0.256 2 V C 1.213 177.137 176.094 -0.283 0.000 1.080 2 V CA 2.462 64.511 62.300 -0.418 0.000 1.101 2 V CB -0.526 31.061 31.823 -0.394 0.000 0.698 2 V HN 0.563 8.605 8.190 -0.247 0.000 0.477 3 A N 0.191 122.906 122.820 -0.175 0.000 1.835 3 A HA -0.314 nan 4.320 nan 0.000 0.215 3 A C 0.533 178.074 177.584 -0.073 0.000 1.199 3 A CA 3.552 55.522 52.037 -0.111 0.000 0.615 3 A CB -0.858 18.100 19.000 -0.069 0.000 0.838 3 A HN -0.074 7.971 8.150 -0.157 0.010 0.444 4 D N -1.869 118.512 120.400 -0.032 0.000 2.263 4 D HA -0.271 nan 4.640 nan 0.000 0.208 4 D C 2.148 178.516 176.300 0.114 0.000 0.971 4 D CA 2.835 56.863 54.000 0.047 0.000 0.867 4 D CB -0.654 40.194 40.800 0.080 0.000 0.929 4 D HN 0.047 8.392 8.370 -0.041 0.000 0.492 5 K N 0.459 120.857 120.400 -0.002 0.000 2.001 5 K HA -0.482 nan 4.320 nan 0.000 0.214 5 K C 2.362 179.032 176.600 0.115 0.000 1.050 5 K CA 3.112 59.392 56.287 -0.011 0.000 0.934 5 K CB -0.183 31.754 32.500 -0.938 0.000 0.718 5 K HN -0.063 8.089 8.250 -0.132 0.018 0.443 6 Q N -2.249 117.520 119.800 -0.052 0.000 2.077 6 Q HA -0.334 nan 4.340 nan 0.000 0.206 6 Q C 2.491 178.514 176.000 0.037 0.000 0.989 6 Q CA 2.883 58.668 55.803 -0.030 0.000 0.853 6 Q CB -0.034 28.642 28.738 -0.103 0.000 0.907 6 Q HN -0.576 7.595 8.270 -0.165 0.000 0.418 7 A N -3.646 119.207 122.820 0.055 0.000 2.248 7 A HA -0.159 nan 4.320 nan 0.000 0.210 7 A C 0.793 178.459 177.584 0.137 0.000 1.174 7 A CA 1.611 53.699 52.037 0.085 0.000 0.750 7 A CB -0.682 18.360 19.000 0.069 0.000 0.780 7 A HN -0.069 8.037 8.150 0.029 0.062 0.478 8 R N -3.373 117.242 120.500 0.191 0.000 2.121 8 R HA 0.083 nan 4.340 nan 0.000 0.206 8 R C 1.898 178.332 176.300 0.224 0.000 1.094 8 R CA 2.121 58.348 56.100 0.211 0.000 1.055 8 R CB 0.654 31.104 30.300 0.249 0.000 0.964 8 R HN -0.600 7.644 8.270 0.219 0.158 0.473 9 L N 0.273 121.647 121.223 0.251 0.000 1.976 9 L HA -0.350 nan 4.340 nan 0.000 0.209 9 L C 2.311 179.377 176.870 0.327 0.000 1.071 9 L CA 3.824 58.833 54.840 0.280 0.000 0.746 9 L CB -0.090 42.100 42.059 0.219 0.000 0.890 9 L HN -0.619 7.776 8.230 0.276 0.000 0.432 10 M N -2.713 116.964 119.600 0.128 0.000 2.117 10 M HA -0.284 nan 4.480 nan 0.000 0.262 10 M C -1.109 175.422 176.300 0.386 0.000 1.065 10 M CA 5.607 60.977 55.300 0.117 0.000 1.114 10 M CB -2.419 30.009 32.600 -0.287 0.000 1.361 10 M HN -0.558 7.774 8.290 0.069 0.000 0.408 11 P HA -0.301 nan 4.420 nan 0.000 0.217 11 P C 0.630 178.078 177.300 0.247 0.000 1.151 11 P CA 2.820 66.072 63.100 0.255 0.000 0.849 11 P CB -0.522 31.290 31.700 0.186 0.000 0.787 12 L N -5.434 115.954 121.223 0.275 0.000 2.093 12 L HA -0.254 nan 4.340 nan 0.000 0.208 12 L C 2.337 179.313 176.870 0.177 0.000 1.085 12 L CA 2.180 57.140 54.840 0.199 0.000 0.755 12 L CB 0.084 42.252 42.059 0.181 0.000 0.904 12 L HN -0.688 7.641 8.230 0.296 0.079 0.435 13 F N -3.283 116.771 119.950 0.173 0.000 2.802 13 F HA -0.192 nan 4.527 nan 0.000 0.300 13 F C 0.651 176.526 175.800 0.125 0.000 1.168 13 F CA 1.101 59.215 58.000 0.189 0.000 1.433 13 F CB -0.514 38.666 39.000 0.300 0.000 1.115 13 F HN -0.428 8.280 8.300 0.799 0.071 0.582 14 K N 0.561 121.103 120.400 0.236 0.000 2.110 14 K HA -0.140 nan 4.320 nan 0.000 0.260 14 K C -1.325 175.076 176.600 -0.333 0.000 1.126 14 K CA 0.626 56.823 56.287 -0.150 0.000 1.005 14 K CB -1.291 31.174 32.500 -0.058 0.000 1.336 14 K HN -0.353 7.930 8.250 0.336 0.168 0.369 15 H N -1.841 117.201 119.070 -0.046 0.000 3.138 15 H HA -0.360 nan 4.556 nan 0.000 0.337 15 H C -0.443 174.823 175.328 -0.102 0.000 1.347 15 H CA -0.178 55.810 56.048 -0.099 0.000 1.254 15 H CB -3.358 26.325 29.762 -0.131 0.000 1.456 15 H HN 0.234 8.273 8.280 -0.361 0.024 0.453 16 L N -0.102 121.066 121.223 -0.091 0.000 1.933 16 L HA -0.353 nan 4.340 nan 0.000 0.220 16 L C 0.967 177.768 176.870 -0.115 0.000 1.078 16 L CA 3.179 57.916 54.840 -0.171 0.000 0.773 16 L CB -0.347 41.528 42.059 -0.306 0.000 0.890 16 L HN -0.173 7.984 8.230 -0.122 0.000 0.434 17 T N 0.093 114.607 114.554 -0.066 0.000 2.653 17 T HA -0.548 nan 4.350 nan 0.000 0.267 17 T C 1.986 176.677 174.700 -0.015 0.000 1.037 17 T CA 4.230 66.343 62.100 0.020 0.000 1.159 17 T CB -1.020 67.903 68.868 0.092 0.000 0.859 17 T HN 0.262 8.437 8.240 -0.109 0.000 0.449 18 A N 0.485 123.289 122.820 -0.027 0.000 2.131 18 A HA -0.190 nan 4.320 nan 0.000 0.220 18 A C 2.232 179.781 177.584 -0.058 0.000 1.158 18 A CA 2.347 54.361 52.037 -0.039 0.000 0.665 18 A CB -0.877 18.099 19.000 -0.040 0.000 0.795 18 A HN 0.001 8.101 8.150 -0.025 0.035 0.460 19 L N -3.100 118.077 121.223 -0.077 0.000 2.395 19 L HA -0.212 nan 4.340 nan 0.000 0.218 19 L C 1.696 178.491 176.870 -0.125 0.000 1.130 19 L CA 2.126 56.907 54.840 -0.098 0.000 0.826 19 L CB -0.379 41.615 42.059 -0.108 0.000 0.941 19 L HN -0.072 8.081 8.230 -0.079 0.029 0.451 20 T N -0.872 113.612 114.554 -0.117 0.000 2.802 20 T HA -0.289 nan 4.350 nan 0.000 0.269 20 T C -0.286 174.349 174.700 -0.109 0.000 1.062 20 T CA 2.663 64.688 62.100 -0.124 0.000 1.133 20 T CB -0.091 68.731 68.868 -0.077 0.000 0.852 20 T HN -0.141 7.879 8.240 -0.092 0.165 0.485 21 R N 0.320 120.770 120.500 -0.084 0.000 2.310 21 R HA 0.350 nan 4.340 nan 0.000 0.324 21 R C -1.129 175.127 176.300 -0.073 0.000 0.955 21 R CA -0.425 55.631 56.100 -0.073 0.000 0.830 21 R CB 1.357 31.625 30.300 -0.053 0.000 1.154 21 R HN -0.764 7.434 8.270 -0.075 0.027 0.458 22 E N 2.455 122.609 120.200 -0.077 0.000 2.445 22 E HA 0.189 nan 4.350 nan 0.000 0.279 22 E C -0.244 176.321 176.600 -0.059 0.000 1.018 22 E CA -1.407 54.952 56.400 -0.068 0.000 0.816 22 E CB 4.250 33.904 29.700 -0.077 0.000 1.356 22 E HN 0.213 8.523 8.360 -0.084 0.000 0.462 23 K N 1.679 122.051 120.400 -0.047 0.000 2.449 23 K HA -0.100 nan 4.320 nan 0.000 0.237 23 K C -0.316 176.259 176.600 -0.041 0.000 1.265 23 K CA -0.225 56.040 56.287 -0.038 0.000 1.193 23 K CB -1.370 31.113 32.500 -0.029 0.000 1.515 23 K HN 0.226 8.449 8.250 -0.045 0.000 0.259 24 L N 3.678 124.869 121.223 -0.053 0.000 2.530 24 L HA 0.034 nan 4.340 nan 0.000 0.273 24 L C -1.205 175.642 176.870 -0.038 0.000 1.141 24 L CA -1.454 53.352 54.840 -0.056 0.000 0.905 24 L CB 0.416 42.429 42.059 -0.076 0.000 1.202 24 L HN -0.548 7.586 8.230 -0.057 0.062 0.473 25 P HA -0.199 nan 4.420 nan 0.000 0.217 25 P C -1.336 175.953 177.300 -0.017 0.000 1.158 25 P CA 1.640 64.730 63.100 -0.017 0.000 0.887 25 P CB 0.157 31.852 31.700 -0.008 0.000 0.792 26 L N -6.255 114.957 121.223 -0.019 0.000 3.020 26 L HA 0.068 nan 4.340 nan 0.000 0.273 26 L C 0.359 177.215 176.870 -0.024 0.000 1.018 26 L CA -1.264 53.564 54.840 -0.021 0.000 0.950 26 L CB 2.392 44.443 42.059 -0.014 0.000 1.510 26 L HN -0.879 7.340 8.230 -0.019 0.000 0.404 27 D N 0.837 121.222 120.400 -0.025 0.000 2.203 27 D HA -0.415 nan 4.640 nan 0.000 0.199 27 D C 0.976 177.268 176.300 -0.014 0.000 0.997 27 D CA 3.147 57.133 54.000 -0.024 0.000 0.863 27 D CB -0.406 40.382 40.800 -0.019 0.000 0.928 27 D HN 0.428 8.783 8.370 -0.024 0.000 0.458 28 Q N -1.095 118.700 119.800 -0.009 0.000 2.242 28 Q HA -0.364 nan 4.340 nan 0.000 0.211 28 Q C 2.086 178.086 176.000 -0.000 0.000 0.992 28 Q CA 2.467 58.268 55.803 -0.004 0.000 0.889 28 Q CB -1.180 27.556 28.738 -0.002 0.000 0.913 28 Q HN 0.284 8.506 8.270 -0.011 0.042 0.422 29 R N -1.135 119.364 120.500 -0.001 0.000 2.159 29 R HA -0.358 nan 4.340 nan 0.000 0.249 29 R C 1.875 178.179 176.300 0.006 0.000 1.136 29 R CA 2.053 58.156 56.100 0.005 0.000 0.951 29 R CB -0.258 30.044 30.300 0.004 0.000 0.876 29 R HN -0.515 7.727 8.270 -0.005 0.025 0.440 30 D N -0.462 119.938 120.400 0.001 0.000 2.485 30 D HA 0.281 nan 4.640 nan 0.000 0.229 30 D C -1.044 175.260 176.300 0.006 0.000 1.101 30 D CA -0.331 53.672 54.000 0.006 0.000 0.906 30 D CB -0.441 40.361 40.800 0.003 0.000 1.019 30 D HN -0.052 8.307 8.370 -0.004 0.008 0.516 31 E N 3.103 123.309 120.200 0.009 0.000 2.171 31 E HA -0.397 nan 4.350 nan 0.000 0.197 31 E C 0.661 177.269 176.600 0.012 0.000 0.997 31 E CA 2.855 59.261 56.400 0.009 0.000 0.810 31 E CB -0.200 29.507 29.700 0.010 0.000 0.738 31 E HN 0.016 8.328 8.360 0.009 0.053 0.467 32 R N -1.914 118.595 120.500 0.015 0.000 2.206 32 R HA -0.385 nan 4.340 nan 0.000 0.240 32 R C 1.611 177.920 176.300 0.016 0.000 1.117 32 R CA 2.326 58.438 56.100 0.019 0.000 0.915 32 R CB -0.637 29.677 30.300 0.022 0.000 0.888 32 R HN 0.018 8.297 8.270 0.015 0.000 0.432 33 L N -3.328 117.901 121.223 0.011 0.000 2.549 33 L HA -0.210 nan 4.340 nan 0.000 0.230 33 L C 1.213 178.085 176.870 0.003 0.000 1.162 33 L CA 1.257 56.100 54.840 0.005 0.000 0.834 33 L CB -0.970 41.088 42.059 -0.002 0.000 0.947 33 L HN -0.066 8.090 8.230 0.010 0.079 0.452 34 K N 0.350 120.753 120.400 0.005 0.000 2.163 34 K HA -0.439 nan 4.320 nan 0.000 0.222 34 K C 1.075 177.680 176.600 0.007 0.000 0.990 34 K CA 2.788 59.078 56.287 0.006 0.000 0.959 34 K CB -1.569 30.937 32.500 0.009 0.000 0.882 34 K HN -0.427 7.780 8.250 0.006 0.046 0.472 35 G N -3.617 105.189 108.800 0.011 0.000 3.502 35 G HA2 0.094 nan 3.960 nan 0.000 0.267 35 G HA3 0.094 nan 3.960 nan 0.000 0.267 35 G C -1.578 173.332 174.900 0.017 0.000 1.090 35 G CA -0.667 44.442 45.100 0.015 0.000 0.795 35 G HN 0.036 8.290 8.290 0.011 0.043 0.535 36 V N -0.246 119.674 119.914 0.009 0.000 2.577 36 V HA 0.335 nan 4.120 nan 0.000 0.303 36 V C -1.601 174.489 176.094 -0.008 0.000 1.042 36 V CA -0.460 61.844 62.300 0.006 0.000 0.872 36 V CB 1.300 33.124 31.823 0.002 0.000 0.998 36 V HN -0.526 7.588 8.190 0.004 0.078 0.423 37 G N 7.120 115.916 108.800 -0.006 0.000 5.609 37 G HA2 0.178 nan 3.960 nan 0.000 0.195 37 G HA3 0.178 nan 3.960 nan 0.000 0.195 37 G C -0.533 174.361 174.900 -0.010 0.000 0.749 37 G CA 1.089 46.176 45.100 -0.021 0.000 0.662 37 G HN 0.326 8.620 8.290 0.006 0.000 0.288 38 I N -4.260 116.316 120.570 0.011 0.000 3.928 38 I HA 0.163 nan 4.170 nan 0.000 0.335 38 I C -1.078 175.073 176.117 0.057 0.000 1.325 38 I CA 0.363 61.685 61.300 0.037 0.000 1.107 38 I CB 0.286 38.320 38.000 0.056 0.000 1.014 38 I HN -0.487 7.731 8.210 0.013 0.000 0.400 39 L N 3.270 124.504 121.223 0.017 0.000 2.356 39 L HA 0.583 nan 4.340 nan 0.000 0.264 39 L C -2.501 174.348 176.870 -0.035 0.000 1.029 39 L CA -3.515 51.324 54.840 -0.002 0.000 0.897 39 L CB 1.192 43.187 42.059 -0.107 0.000 1.256 39 L HN -0.646 7.523 8.230 -0.014 0.053 0.444 40 P HA 0.157 nan 4.420 nan 0.000 0.268 40 P C -0.987 176.294 177.300 -0.031 0.000 1.282 40 P CA -0.224 62.861 63.100 -0.024 0.000 0.880 40 P CB -0.609 31.085 31.700 -0.009 0.000 0.971 41 R N 4.691 125.159 120.500 -0.052 0.000 3.750 41 R HA -0.405 nan 4.340 nan 0.000 0.495 41 R C -0.033 176.247 176.300 -0.033 0.000 0.241 41 R CA 1.488 57.558 56.100 -0.049 0.000 1.551 41 R CB -2.228 28.047 30.300 -0.040 0.000 0.956 41 R HN -0.227 8.003 8.270 -0.067 0.000 0.584 42 G N 1.619 110.411 108.800 -0.013 0.000 3.263 42 G HA2 0.004 nan 3.960 nan 0.000 0.246 42 G HA3 0.004 nan 3.960 nan 0.000 0.246 42 G C -0.747 174.161 174.900 0.012 0.000 0.982 42 G CA -0.199 44.903 45.100 0.003 0.000 1.897 42 G HN 0.401 8.683 8.290 -0.012 0.000 0.624 43 T N -0.002 114.562 114.554 0.016 0.000 2.794 43 T HA 0.005 nan 4.350 nan 0.000 0.304 43 T C 0.057 174.795 174.700 0.063 0.000 0.973 43 T CA -0.871 61.254 62.100 0.042 0.000 0.972 43 T CB 0.491 69.386 68.868 0.045 0.000 0.952 43 T HN -0.559 7.590 8.240 0.001 0.092 0.509 44 L N 3.177 124.444 121.223 0.073 0.000 2.455 44 L HA 0.068 nan 4.340 nan 0.000 0.272 44 L C 0.642 177.584 176.870 0.120 0.000 1.174 44 L CA 0.383 55.264 54.840 0.069 0.000 0.869 44 L CB 0.374 42.444 42.059 0.018 0.000 1.130 44 L HN -0.042 8.236 8.230 0.081 0.000 0.474 45 F N 6.572 126.473 119.950 -0.082 0.000 2.495 45 F HA -0.208 nan 4.527 nan 0.000 0.339 45 F C -0.346 175.427 175.800 -0.046 0.000 1.226 45 F CA -0.571 57.363 58.000 -0.110 0.000 0.998 45 F CB -0.867 38.060 39.000 -0.121 0.000 1.180 45 F HN 0.238 8.654 8.300 0.192 0.000 0.611 46 S N 7.702 123.399 115.700 -0.005 0.000 2.701 46 S HA 0.118 nan 4.470 nan 0.000 0.317 46 S C 1.327 175.752 174.600 -0.293 0.000 1.149 46 S CA -1.204 56.937 58.200 -0.099 0.000 1.052 46 S CB -0.155 63.059 63.200 0.023 0.000 1.257 46 S HN 0.055 8.431 8.310 0.164 0.032 0.532 47 C N 8.279 127.123 119.300 -0.760 0.000 2.413 47 C HA -0.255 nan 4.460 nan 0.000 0.276 47 C C 0.809 175.441 174.990 -0.597 0.000 1.236 47 C CA 2.830 61.174 59.018 -1.124 0.000 1.735 47 C CB -1.010 26.019 27.740 -1.185 0.000 2.031 47 C HN 0.458 8.293 8.230 -0.659 0.000 0.474 48 F N -5.649 114.148 119.950 -0.254 0.000 2.641 48 F HA -0.166 nan 4.527 nan 0.000 0.298 48 F C 0.194 175.869 175.800 -0.209 0.000 1.146 48 F CA 1.005 58.864 58.000 -0.235 0.000 1.464 48 F CB -0.421 38.449 39.000 -0.218 0.000 1.101 48 F HN -0.744 7.398 8.300 -0.263 0.000 0.585 49 H N 1.012 120.088 119.070 0.010 0.000 2.848 49 H HA -0.047 nan 4.556 nan 0.000 0.317 49 H C 0.471 175.777 175.328 -0.036 0.000 1.046 49 H CA 0.204 56.252 56.048 0.001 0.000 1.470 49 H CB 1.729 31.474 29.762 -0.028 0.000 1.483 49 H HN -0.730 7.569 8.280 0.127 0.057 0.548 50 A N 7.553 129.944 122.820 -0.715 0.000 1.927 50 A HA -0.465 nan 4.320 nan 0.000 0.220 50 A C 1.593 179.067 177.584 -0.182 0.000 1.185 50 A CA 3.477 55.324 52.037 -0.317 0.000 0.639 50 A CB -0.323 18.679 19.000 0.004 0.000 0.820 50 A HN 0.837 8.498 8.150 -0.816 0.000 0.451 51 R N -3.211 117.138 120.500 -0.252 0.000 2.120 51 R HA -0.346 nan 4.340 nan 0.000 0.234 51 R C 2.179 178.496 176.300 0.029 0.000 1.123 51 R CA 2.974 59.032 56.100 -0.070 0.000 0.975 51 R CB -0.867 29.417 30.300 -0.027 0.000 0.866 51 R HN 0.070 8.012 8.270 -0.528 0.012 0.446 52 H N -0.424 118.722 119.070 0.126 0.000 2.470 52 H HA -0.046 nan 4.556 nan 0.000 0.289 52 H C 2.800 178.208 175.328 0.133 0.000 1.033 52 H CA 1.820 57.972 56.048 0.173 0.000 1.331 52 H CB -0.412 29.550 29.762 0.334 0.000 1.414 52 H HN 0.323 8.523 8.280 -0.090 0.026 0.545 53 L N -0.628 120.707 121.223 0.187 0.000 2.072 53 L HA -0.318 nan 4.340 nan 0.000 0.205 53 L C 1.571 178.520 176.870 0.132 0.000 1.079 53 L CA 2.584 57.511 54.840 0.145 0.000 0.752 53 L CB -0.609 41.497 42.059 0.079 0.000 0.906 53 L HN -0.662 7.643 8.230 0.125 0.000 0.436 54 A N -0.701 122.177 122.820 0.098 0.000 1.865 54 A HA -0.433 nan 4.320 nan 0.000 0.217 54 A C 2.109 179.734 177.584 0.069 0.000 1.191 54 A CA 3.272 55.360 52.037 0.085 0.000 0.623 54 A CB -1.107 17.935 19.000 0.070 0.000 0.826 54 A HN -0.451 7.744 8.150 0.075 0.000 0.444 55 E N -1.668 118.580 120.200 0.081 0.000 2.070 55 E HA -0.436 nan 4.350 nan 0.000 0.197 55 E C 2.469 179.051 176.600 -0.029 0.000 1.004 55 E CA 2.996 59.429 56.400 0.055 0.000 0.805 55 E CB -0.129 29.642 29.700 0.118 0.000 0.744 55 E HN 0.329 8.647 8.360 0.110 0.109 0.451 56 A N -2.046 120.736 122.820 -0.064 0.000 2.019 56 A HA -0.184 nan 4.320 nan 0.000 0.219 56 A C 2.121 179.398 177.584 -0.512 0.000 1.164 56 A CA 2.911 54.756 52.037 -0.321 0.000 0.644 56 A CB -0.697 18.129 19.000 -0.290 0.000 0.805 56 A HN -0.076 7.973 8.150 0.031 0.120 0.449 57 T N 0.466 114.965 114.554 -0.091 0.000 3.023 57 T HA -0.171 nan 4.350 nan 0.000 0.266 57 T C 1.726 176.469 174.700 0.072 0.000 1.093 57 T CA 3.696 65.881 62.100 0.142 0.000 1.129 57 T CB -0.709 68.311 68.868 0.254 0.000 0.899 57 T HN -0.056 8.031 8.240 0.008 0.159 0.491 58 E N 2.733 122.939 120.200 0.011 0.000 2.049 58 E HA -0.340 nan 4.350 nan 0.000 0.198 58 E C 1.614 178.209 176.600 -0.009 0.000 1.007 58 E CA 3.315 59.721 56.400 0.009 0.000 0.809 58 E CB -0.572 29.130 29.700 0.002 0.000 0.749 58 E HN -0.434 7.931 8.360 0.008 0.000 0.450 59 L N -1.257 119.907 121.223 -0.098 0.000 2.093 59 L HA -0.340 nan 4.340 nan 0.000 0.208 59 L C 2.430 179.267 176.870 -0.055 0.000 1.085 59 L CA 3.807 58.580 54.840 -0.112 0.000 0.755 59 L CB -0.246 41.694 42.059 -0.198 0.000 0.904 59 L HN -0.649 7.443 8.230 -0.135 0.056 0.435 60 Y N -2.256 118.119 120.300 0.124 0.000 2.163 60 Y HA -0.386 nan 4.550 nan 0.000 0.288 60 Y C 2.351 178.401 175.900 0.250 0.000 1.136 60 Y CA 3.265 61.489 58.100 0.207 0.000 1.147 60 Y CB -1.443 37.155 38.460 0.229 0.000 0.987 60 Y HN 0.228 8.142 8.280 -0.296 0.189 0.509 61 V N -4.090 115.985 119.914 0.269 0.000 2.427 61 V HA -0.389 nan 4.120 nan 0.000 0.248 61 V C 1.733 177.917 176.094 0.149 0.000 1.051 61 V CA 2.632 65.040 62.300 0.180 0.000 1.048 61 V CB -1.403 30.474 31.823 0.090 0.000 0.666 61 V HN -0.105 8.211 8.190 0.210 0.000 0.456 62 A N 0.899 123.783 122.820 0.107 0.000 1.841 62 A HA -0.281 nan 4.320 nan 0.000 0.216 62 A C 2.202 179.832 177.584 0.077 0.000 1.199 62 A CA 3.006 55.087 52.037 0.074 0.000 0.621 62 A CB -0.590 18.437 19.000 0.045 0.000 0.835 62 A HN -0.033 8.171 8.150 0.091 0.000 0.445 63 L N -2.136 119.119 121.223 0.054 0.000 2.131 63 L HA -0.337 nan 4.340 nan 0.000 0.210 63 L C 2.403 179.229 176.870 -0.074 0.000 1.092 63 L CA 2.628 57.446 54.840 -0.037 0.000 0.759 63 L CB -0.690 41.296 42.059 -0.122 0.000 0.903 63 L HN 0.073 8.232 8.230 0.071 0.113 0.435 64 Y N -2.782 117.565 120.300 0.078 0.000 2.274 64 Y HA -0.281 nan 4.550 nan 0.000 0.290 64 Y C 2.002 177.923 175.900 0.035 0.000 1.145 64 Y CA 2.545 60.675 58.100 0.051 0.000 1.203 64 Y CB -0.272 38.190 38.460 0.002 0.000 0.984 64 Y HN -0.341 8.080 8.280 0.236 0.000 0.533 65 G N -1.527 107.375 108.800 0.171 0.000 3.213 65 G HA2 -0.047 nan 3.960 nan 0.000 0.263 65 G HA3 -0.047 nan 3.960 nan 0.000 0.263 65 G C -2.144 172.798 174.900 0.070 0.000 0.829 65 G CA -0.465 44.697 45.100 0.103 0.000 1.983 65 G HN -0.414 7.883 8.290 0.169 0.093 0.616 66 A N 2.023 124.883 122.820 0.068 0.000 2.288 66 A HA 0.527 nan 4.320 nan 0.000 0.328 66 A C -1.003 176.605 177.584 0.039 0.000 1.123 66 A CA -1.534 50.527 52.037 0.041 0.000 0.861 66 A CB 2.025 21.047 19.000 0.038 0.000 1.272 66 A HN -0.298 7.843 8.150 0.090 0.063 0.490 67 K N 0.011 120.425 120.400 0.023 0.000 2.103 67 K HA 0.002 nan 4.320 nan 0.000 0.215 67 K C -0.156 176.471 176.600 0.045 0.000 1.027 67 K CA 0.811 57.118 56.287 0.033 0.000 0.953 67 K CB 0.280 32.796 32.500 0.026 0.000 0.904 67 K HN 0.418 9.010 8.250 0.007 -0.338 0.454 68 D N -2.537 117.889 120.400 0.043 0.000 2.564 68 D HA 0.015 nan 4.640 nan 0.000 0.273 68 D C 0.981 177.305 176.300 0.040 0.000 1.192 68 D CA -0.719 53.339 54.000 0.096 0.000 1.080 68 D CB 1.252 42.129 40.800 0.129 0.000 1.160 68 D HN -0.358 8.024 8.370 0.020 0.000 0.607 69 F N 0.516 120.518 119.950 0.086 0.000 2.000 69 F HA -0.400 nan 4.527 nan 0.000 0.296 69 F C 2.156 178.077 175.800 0.202 0.000 1.159 69 F CA 3.268 61.342 58.000 0.123 0.000 1.183 69 F CB 0.242 39.284 39.000 0.070 0.000 0.959 69 F HN 0.104 8.648 8.300 0.408 0.000 0.490 70 N N -1.158 117.490 118.700 -0.087 0.000 2.217 70 N HA -0.535 nan 4.740 nan 0.000 0.195 70 N C 1.862 177.204 175.510 -0.279 0.000 0.950 70 N CA 3.073 56.069 53.050 -0.092 0.000 0.910 70 N CB -0.855 37.697 38.487 0.109 0.000 1.073 70 N HN -0.317 8.458 8.380 0.418 -0.145 0.663 71 D N -0.615 119.676 120.400 -0.182 0.000 2.182 71 D HA -0.274 nan 4.640 nan 0.000 0.201 71 D C 1.839 177.999 176.300 -0.232 0.000 0.986 71 D CA 2.927 56.852 54.000 -0.125 0.000 0.847 71 D CB 0.040 40.813 40.800 -0.046 0.000 0.942 71 D HN -0.411 8.233 8.370 -0.098 -0.332 0.467 72 F N 0.510 120.085 119.950 -0.624 0.000 2.091 72 F HA -0.380 nan 4.527 nan 0.000 0.299 72 F C 1.312 176.736 175.800 -0.626 0.000 1.103 72 F CA 3.319 60.873 58.000 -0.743 0.000 1.228 72 F CB 0.086 38.299 39.000 -1.312 0.000 0.984 72 F HN -0.453 7.525 8.300 -0.411 0.075 0.477 73 I N -2.060 117.942 120.570 -0.946 0.000 2.252 73 I HA -0.529 nan 4.170 nan 0.000 0.245 73 I C 1.972 177.894 176.117 -0.326 0.000 1.102 73 I CA 2.263 63.191 61.300 -0.619 0.000 1.385 73 I CB -1.563 36.262 38.000 -0.291 0.000 1.064 73 I HN -0.457 7.044 8.210 -0.988 0.116 0.414 74 H N 1.296 120.204 119.070 -0.271 0.000 2.321 74 H HA -0.294 nan 4.556 nan 0.000 0.300 74 H C 2.320 177.568 175.328 -0.133 0.000 1.087 74 H CA 3.528 59.484 56.048 -0.153 0.000 1.319 74 H CB 0.052 29.750 29.762 -0.106 0.000 1.379 74 H HN -0.440 7.662 8.280 -0.175 0.073 0.501 75 L N -1.148 119.826 121.223 -0.415 0.000 2.043 75 L HA -0.392 nan 4.340 nan 0.000 0.212 75 L C 1.571 178.340 176.870 -0.167 0.000 1.075 75 L CA 3.629 58.282 54.840 -0.311 0.000 0.752 75 L CB -0.521 41.431 42.059 -0.179 0.000 0.891 75 L HN -0.123 7.937 8.230 -0.282 0.000 0.432 76 C N -1.530 117.644 119.300 -0.210 0.000 2.432 76 C HA -0.412 nan 4.460 nan 0.000 0.280 76 C C 1.808 176.798 174.990 0.001 0.000 1.353 76 C CA 3.206 62.236 59.018 0.019 0.000 1.766 76 C CB -2.153 25.428 27.740 -0.265 0.000 1.924 76 C HN -0.227 7.684 8.230 -0.405 0.076 0.509 77 E N 0.090 120.209 120.200 -0.135 0.000 2.031 77 E HA -0.485 nan 4.350 nan 0.000 0.193 77 E C 2.176 178.659 176.600 -0.195 0.000 0.994 77 E CA 3.489 59.822 56.400 -0.111 0.000 0.800 77 E CB -0.321 29.359 29.700 -0.034 0.000 0.752 77 E HN 0.114 8.253 8.360 -0.204 0.098 0.447 78 Q N -0.576 119.043 119.800 -0.302 0.000 1.969 78 Q HA -0.227 nan 4.340 nan 0.000 0.198 78 Q C 2.665 178.465 176.000 -0.333 0.000 0.978 78 Q CA 2.735 58.367 55.803 -0.286 0.000 0.830 78 Q CB 0.213 28.740 28.738 -0.352 0.000 0.896 78 Q HN -0.245 7.778 8.270 -0.411 0.000 0.431 79 A N -0.816 121.776 122.820 -0.380 0.000 2.024 79 A HA -0.322 nan 4.320 nan 0.000 0.220 79 A C 1.368 178.334 177.584 -1.030 0.000 1.164 79 A CA 3.181 54.893 52.037 -0.541 0.000 0.643 79 A CB -0.960 17.907 19.000 -0.223 0.000 0.806 79 A HN 0.115 8.110 8.150 -0.259 0.000 0.451 80 R N -2.644 117.046 120.500 -1.351 0.000 2.120 80 R HA -0.310 nan 4.340 nan 0.000 0.234 80 R C 3.010 179.005 176.300 -0.508 0.000 1.123 80 R CA 2.730 58.201 56.100 -1.049 0.000 0.975 80 R CB -0.366 29.574 30.300 -0.599 0.000 0.866 80 R HN 0.082 7.656 8.270 -1.117 0.027 0.446 81 Q N -1.896 117.679 119.800 -0.375 0.000 2.585 81 Q HA -0.276 nan 4.340 nan 0.000 0.219 81 Q C -0.030 175.854 176.000 -0.192 0.000 0.984 81 Q CA 2.360 58.026 55.803 -0.229 0.000 0.915 81 Q CB -0.452 28.180 28.738 -0.176 0.000 0.967 81 Q HN 0.167 8.078 8.270 -0.395 0.121 0.530 82 I N -4.935 115.498 120.570 -0.228 0.000 3.903 82 I HA 0.092 nan 4.170 nan 0.000 0.270 82 I C -1.533 174.488 176.117 -0.160 0.000 1.104 82 I CA 0.651 61.850 61.300 -0.168 0.000 1.349 82 I CB 2.366 40.279 38.000 -0.146 0.000 1.793 82 I HN -0.511 7.393 8.210 -0.308 0.122 0.407 83 V N -4.458 115.335 119.914 -0.200 0.000 3.369 83 V HA 0.222 nan 4.120 nan 0.000 0.309 83 V C -1.045 174.957 176.094 -0.155 0.000 1.069 83 V CA -3.034 59.170 62.300 -0.160 0.000 1.042 83 V CB 0.667 32.406 31.823 -0.141 0.000 1.192 83 V HN -0.852 7.168 8.190 -0.283 0.000 0.447 84 N N -1.479 117.111 118.700 -0.182 0.000 2.412 84 N HA -0.190 nan 4.740 nan 0.000 0.279 84 N C 1.483 176.907 175.510 -0.142 0.000 1.287 84 N CA 0.412 53.339 53.050 -0.205 0.000 0.948 84 N CB -0.288 37.983 38.487 -0.360 0.000 1.255 84 N HN 0.239 8.495 8.380 -0.206 0.000 0.485 85 E N 6.587 126.770 120.200 -0.029 0.000 2.169 85 E HA -0.423 nan 4.350 nan 0.000 0.202 85 E C 1.743 178.462 176.600 0.199 0.000 1.016 85 E CA 3.063 59.527 56.400 0.107 0.000 0.817 85 E CB -1.325 28.455 29.700 0.133 0.000 0.736 85 E HN 0.210 8.545 8.360 -0.043 0.000 0.462 86 G N -1.442 107.423 108.800 0.109 0.000 2.440 86 G HA2 -0.276 nan 3.960 nan 0.000 0.218 86 G HA3 -0.276 nan 3.960 nan 0.000 0.218 86 G C 1.460 176.534 174.900 0.291 0.000 1.154 86 G CA 1.736 46.966 45.100 0.216 0.000 0.767 86 G HN 0.418 8.711 8.290 0.034 0.018 0.552 87 M N 1.954 121.487 119.600 -0.112 0.000 2.156 87 M HA -0.287 nan 4.480 nan 0.000 0.264 87 M C 1.032 177.431 176.300 0.165 0.000 1.067 87 M CA 3.099 58.337 55.300 -0.102 0.000 1.131 87 M CB 0.094 32.361 32.600 -0.554 0.000 1.368 87 M HN -0.593 7.563 8.290 -0.357 -0.080 0.416 88 F N -0.073 119.883 119.950 0.010 0.000 2.069 88 F HA -0.434 nan 4.527 nan 0.000 0.298 88 F C 1.464 177.395 175.800 0.218 0.000 1.113 88 F CA 4.396 62.435 58.000 0.066 0.000 1.214 88 F CB -0.079 38.918 39.000 -0.006 0.000 0.978 88 F HN -0.416 7.996 8.300 0.187 0.000 0.474 89 V N -0.514 119.631 119.914 0.386 0.000 2.392 89 V HA -0.484 nan 4.120 nan 0.000 0.249 89 V C 1.024 177.422 176.094 0.507 0.000 1.059 89 V CA 4.183 66.775 62.300 0.487 0.000 1.051 89 V CB -0.908 31.324 31.823 0.683 0.000 0.658 89 V HN 0.497 8.964 8.190 0.462 0.000 0.455 90 Y N 0.584 121.138 120.300 0.424 0.000 2.224 90 Y HA -0.474 nan 4.550 nan 0.000 0.289 90 Y C 1.254 177.330 175.900 0.294 0.000 1.146 90 Y CA 4.093 62.419 58.100 0.377 0.000 1.182 90 Y CB -0.358 38.295 38.460 0.320 0.000 0.983 90 Y HN -0.487 8.109 8.280 0.650 0.074 0.524 91 A N -1.193 121.822 122.820 0.326 0.000 1.874 91 A HA -0.286 nan 4.320 nan 0.000 0.214 91 A C 1.789 179.377 177.584 0.005 0.000 1.189 91 A CA 3.065 55.231 52.037 0.214 0.000 0.615 91 A CB -0.504 18.489 19.000 -0.010 0.000 0.830 91 A HN 0.159 8.384 8.150 0.295 0.102 0.443 92 V N -4.240 115.600 119.914 -0.124 0.000 2.515 92 V HA -0.413 nan 4.120 nan 0.000 0.250 92 V C 1.833 178.003 176.094 0.125 0.000 1.058 92 V CA 3.658 65.932 62.300 -0.043 0.000 1.064 92 V CB -1.285 30.465 31.823 -0.121 0.000 0.675 92 V HN 0.356 8.421 8.190 -0.208 0.000 0.461 93 S N 0.049 115.835 115.700 0.143 0.000 2.414 93 S HA -0.243 nan 4.470 nan 0.000 0.227 93 S C 2.010 176.625 174.600 0.025 0.000 1.022 93 S CA 3.308 61.578 58.200 0.117 0.000 0.958 93 S CB 0.065 63.399 63.200 0.222 0.000 0.797 93 S HN 0.000 8.312 8.310 0.183 0.108 0.493 94 V N 2.042 121.966 119.914 0.017 0.000 2.515 94 V HA -0.355 nan 4.120 nan 0.000 0.250 94 V C 1.487 177.743 176.094 0.270 0.000 1.058 94 V CA 3.238 65.618 62.300 0.134 0.000 1.064 94 V CB -0.952 30.945 31.823 0.122 0.000 0.675 94 V HN -0.251 7.944 8.190 0.008 0.000 0.461 95 A N -0.030 122.805 122.820 0.025 0.000 1.855 95 A HA -0.198 nan 4.320 nan 0.000 0.215 95 A C 1.297 178.867 177.584 -0.024 0.000 1.191 95 A CA 3.830 55.804 52.037 -0.105 0.000 0.613 95 A CB -0.208 18.683 19.000 -0.182 0.000 0.829 95 A HN 0.199 8.339 8.150 -0.017 0.000 0.442 96 V N -2.560 117.366 119.914 0.021 0.000 3.620 96 V HA -0.099 nan 4.120 nan 0.000 0.286 96 V C 0.779 176.823 176.094 -0.083 0.000 1.288 96 V CA 1.544 63.836 62.300 -0.013 0.000 1.178 96 V CB -1.133 30.891 31.823 0.334 0.000 0.986 96 V HN -0.071 8.070 8.190 0.098 0.108 0.431 97 L N -1.136 119.971 121.223 -0.192 0.000 2.253 97 L HA -0.042 nan 4.340 nan 0.000 0.205 97 L C 0.354 176.977 176.870 -0.412 0.000 1.078 97 L CA 2.545 57.123 54.840 -0.436 0.000 0.805 97 L CB 1.278 42.835 42.059 -0.836 0.000 0.963 97 L HN -0.593 7.518 8.230 -0.146 0.031 0.459 98 H N -7.469 111.634 119.070 0.055 0.000 3.233 98 H HA 0.214 nan 4.556 nan 0.000 0.263 98 H C -0.675 174.775 175.328 0.203 0.000 1.168 98 H CA -0.676 55.443 56.048 0.118 0.000 1.159 98 H CB 1.545 31.429 29.762 0.204 0.000 1.593 98 H HN -0.180 7.982 8.280 0.024 0.133 0.580 99 R N 0.502 121.148 120.500 0.243 0.000 2.295 99 R HA 0.304 nan 4.340 nan 0.000 0.324 99 R C 0.565 176.930 176.300 0.108 0.000 0.968 99 R CA -1.818 54.406 56.100 0.207 0.000 0.837 99 R CB 0.105 30.550 30.300 0.242 0.000 1.133 99 R HN -0.566 7.784 8.270 0.134 0.000 0.450 100 E N 3.322 123.589 120.200 0.112 0.000 2.533 100 E HA -0.215 nan 4.350 nan 0.000 0.201 100 E C -0.051 176.584 176.600 0.059 0.000 1.097 100 E CA 1.206 57.650 56.400 0.074 0.000 0.887 100 E CB -0.711 29.030 29.700 0.068 0.000 0.855 100 E HN 0.581 9.016 8.360 0.125 0.000 0.540 101 D N -2.902 117.566 120.400 0.113 0.000 2.336 101 D HA 0.028 nan 4.640 nan 0.000 0.228 101 D C 0.117 176.444 176.300 0.046 0.000 1.120 101 D CA 0.221 54.312 54.000 0.152 0.000 0.839 101 D CB -0.454 40.532 40.800 0.310 0.000 0.932 101 D HN -0.295 8.074 8.370 0.139 0.085 0.509 102 C N -2.832 116.414 119.300 -0.090 0.000 3.657 102 C HA 0.095 nan 4.460 nan 0.000 0.291 102 C C -0.774 173.998 174.990 -0.363 0.000 1.572 102 C CA -1.254 57.564 59.018 -0.334 0.000 1.818 102 C CB 1.073 28.776 27.740 -0.062 0.000 2.903 102 C HN -0.241 7.891 8.230 -0.051 0.068 0.632 103 K N 1.227 121.467 120.400 -0.267 0.000 2.319 103 K HA -0.229 nan 4.320 nan 0.000 0.265 103 K C 1.011 177.437 176.600 -0.289 0.000 1.000 103 K CA 1.513 57.657 56.287 -0.239 0.000 0.943 103 K CB 0.056 32.451 32.500 -0.175 0.000 0.950 103 K HN -0.480 7.634 8.250 -0.226 0.000 0.485 104 G N 3.377 112.002 108.800 -0.293 0.000 2.155 104 G HA2 -0.450 nan 3.960 nan 0.000 0.257 104 G HA3 -0.450 nan 3.960 nan 0.000 0.257 104 G C -0.769 173.921 174.900 -0.350 0.000 0.983 104 G CA 0.384 45.275 45.100 -0.348 0.000 0.676 104 G HN 0.365 8.485 8.290 -0.268 0.009 0.528 105 I N 0.625 121.003 120.570 -0.320 0.000 2.532 105 I HA 0.123 nan 4.170 nan 0.000 0.292 105 I C -1.421 174.564 176.117 -0.220 0.000 1.014 105 I CA -1.440 59.705 61.300 -0.259 0.000 1.340 105 I CB 1.643 39.522 38.000 -0.201 0.000 1.422 105 I HN -0.707 7.252 8.210 -0.306 0.067 0.528 106 T N 7.614 122.055 114.554 -0.189 0.000 2.856 106 T HA 0.173 nan 4.350 nan 0.000 0.283 106 T C -0.932 173.675 174.700 -0.155 0.000 1.008 106 T CA -1.466 60.537 62.100 -0.161 0.000 0.997 106 T CB 1.834 70.618 68.868 -0.140 0.000 0.992 106 T HN -0.380 7.973 8.240 -0.177 -0.220 0.454 107 V N 4.794 124.630 119.914 -0.129 0.000 2.508 107 V HA 0.072 nan 4.120 nan 0.000 0.281 107 V C -1.172 174.809 176.094 -0.189 0.000 1.041 107 V CA -2.745 59.472 62.300 -0.139 0.000 1.016 107 V CB -0.678 31.104 31.823 -0.068 0.000 0.984 107 V HN 0.452 8.577 8.190 -0.109 0.000 0.478 108 P HA 0.084 nan 4.420 nan 0.000 0.260 108 P C -2.657 174.644 177.300 0.002 0.000 1.185 108 P CA -0.904 62.028 63.100 -0.281 0.000 0.763 108 P CB 0.146 31.529 31.700 -0.530 0.000 0.776 109 P HA -0.017 nan 4.420 nan 0.000 0.261 109 P C 0.934 178.305 177.300 0.119 0.000 1.203 109 P CA 0.009 63.178 63.100 0.116 0.000 0.767 109 P CB 0.260 32.009 31.700 0.082 0.000 0.785 110 I N 0.318 120.965 120.570 0.128 0.000 2.423 110 I HA -0.527 nan 4.170 nan 0.000 0.254 110 I C 0.940 177.063 176.117 0.011 0.000 1.151 110 I CA 3.542 64.895 61.300 0.087 0.000 1.421 110 I CB -0.380 37.563 38.000 -0.095 0.000 1.079 110 I HN 0.428 8.766 8.210 0.214 0.000 0.431 111 Q N -1.558 118.075 119.800 -0.280 0.000 2.172 111 Q HA -0.279 nan 4.340 nan 0.000 0.200 111 Q C 1.227 177.036 176.000 -0.319 0.000 0.964 111 Q CA 3.105 58.428 55.803 -0.800 0.000 0.855 111 Q CB -0.693 27.485 28.738 -0.933 0.000 0.918 111 Q HN 0.221 8.326 8.270 -0.175 0.060 0.444 112 E N -2.662 117.455 120.200 -0.137 0.000 2.216 112 E HA -0.038 nan 4.350 nan 0.000 0.192 112 E C 1.437 178.028 176.600 -0.015 0.000 0.973 112 E CA 1.511 57.876 56.400 -0.060 0.000 0.851 112 E CB 1.339 30.996 29.700 -0.072 0.000 0.804 112 E HN -0.427 7.742 8.360 -0.105 0.128 0.477 113 V N -5.516 114.409 119.914 0.019 0.000 2.788 113 V HA -0.075 nan 4.120 nan 0.000 0.251 113 V C 0.026 175.901 176.094 -0.364 0.000 1.068 113 V CA 1.944 64.179 62.300 -0.108 0.000 1.090 113 V CB 0.338 32.179 31.823 0.031 0.000 0.710 113 V HN -0.099 8.030 8.190 0.076 0.107 0.467 114 F N -1.475 118.542 119.950 0.112 0.000 2.660 114 F HA 0.584 nan 4.527 nan 0.000 0.352 114 F C -1.556 174.363 175.800 0.198 0.000 1.257 114 F CA -3.466 54.618 58.000 0.142 0.000 1.200 114 F CB 1.198 40.279 39.000 0.134 0.000 1.473 114 F HN -0.402 7.890 8.300 0.176 0.114 0.561 115 P HA -0.142 nan 4.420 nan 0.000 0.226 115 P C 0.634 178.135 177.300 0.336 0.000 1.153 115 P CA 1.960 65.207 63.100 0.245 0.000 0.777 115 P CB 0.035 31.811 31.700 0.128 0.000 0.794 116 D N -1.483 119.107 120.400 0.316 0.000 2.123 116 D HA -0.351 nan 4.640 nan 0.000 0.196 116 D C 0.318 176.752 176.300 0.222 0.000 0.992 116 D CA 2.678 56.834 54.000 0.260 0.000 0.833 116 D CB -1.803 39.162 40.800 0.275 0.000 0.954 116 D HN 0.433 8.949 8.370 0.351 0.065 0.455 117 R N -3.425 117.202 120.500 0.211 0.000 2.339 117 R HA -0.140 nan 4.340 nan 0.000 0.199 117 R C 0.582 176.705 176.300 -0.294 0.000 1.018 117 R CA 1.244 57.303 56.100 -0.068 0.000 1.036 117 R CB -0.554 29.651 30.300 -0.158 0.000 0.899 117 R HN -0.312 8.144 8.270 0.309 0.000 0.473 118 F N -2.807 117.138 119.950 -0.009 0.000 2.592 118 F HA 0.088 nan 4.527 nan 0.000 0.280 118 F C -0.537 175.246 175.800 -0.029 0.000 1.083 118 F CA 2.444 60.416 58.000 -0.045 0.000 1.365 118 F CB 2.274 41.237 39.000 -0.062 0.000 1.100 118 F HN -0.358 7.945 8.300 0.335 0.198 0.633 119 V N -6.153 113.877 119.914 0.193 0.000 3.096 119 V HA 0.530 nan 4.120 nan 0.000 0.319 119 V C -2.519 173.649 176.094 0.123 0.000 1.103 119 V CA -4.050 58.333 62.300 0.139 0.000 1.016 119 V CB -0.195 31.712 31.823 0.140 0.000 1.090 119 V HN -0.560 7.764 8.190 0.224 0.000 0.449 120 P HA -0.034 nan 4.420 nan 0.000 0.267 120 P C -0.527 176.839 177.300 0.111 0.000 1.209 120 P CA 0.012 63.178 63.100 0.109 0.000 0.763 120 P CB -0.105 31.640 31.700 0.075 0.000 0.816 121 A N 6.880 129.772 122.820 0.120 0.000 1.954 121 A HA -0.477 nan 4.320 nan 0.000 0.222 121 A C 1.847 179.485 177.584 0.090 0.000 1.199 121 A CA 3.574 55.677 52.037 0.109 0.000 0.657 121 A CB -0.545 18.519 19.000 0.108 0.000 0.823 121 A HN 0.863 8.987 8.150 0.135 0.107 0.463 122 E N -3.134 117.116 120.200 0.083 0.000 2.038 122 E HA -0.364 nan 4.350 nan 0.000 0.195 122 E C 2.128 178.769 176.600 0.069 0.000 1.000 122 E CA 3.332 59.772 56.400 0.067 0.000 0.803 122 E CB -0.321 29.412 29.700 0.054 0.000 0.750 122 E HN 0.236 8.642 8.360 0.091 0.009 0.448 123 T N 0.789 115.390 114.554 0.077 0.000 3.085 123 T HA -0.048 nan 4.350 nan 0.000 0.263 123 T C 2.454 177.206 174.700 0.086 0.000 1.127 123 T CA 2.609 64.758 62.100 0.081 0.000 1.103 123 T CB -0.762 68.160 68.868 0.091 0.000 0.921 123 T HN -0.402 7.791 8.240 0.082 0.096 0.510 124 I N 2.754 123.379 120.570 0.091 0.000 2.193 124 I HA -0.504 nan 4.170 nan 0.000 0.240 124 I C 0.928 177.092 176.117 0.078 0.000 1.084 124 I CA 4.061 65.416 61.300 0.092 0.000 1.365 124 I CB -0.272 37.790 38.000 0.103 0.000 1.064 124 I HN -0.305 7.934 8.210 0.094 0.027 0.410 125 N N -0.368 118.375 118.700 0.072 0.000 2.149 125 N HA -0.370 nan 4.740 nan 0.000 0.188 125 N C 2.548 178.092 175.510 0.056 0.000 1.019 125 N CA 3.840 56.926 53.050 0.060 0.000 0.857 125 N CB 0.164 38.684 38.487 0.056 0.000 0.997 125 N HN -0.126 8.300 8.380 0.076 0.000 0.426 126 R N -1.332 119.203 120.500 0.060 0.000 2.057 126 R HA -0.243 nan 4.340 nan 0.000 0.229 126 R C 1.750 178.088 176.300 0.064 0.000 1.136 126 R CA 3.253 59.388 56.100 0.058 0.000 0.952 126 R CB -0.150 30.185 30.300 0.058 0.000 0.848 126 R HN 0.386 8.576 8.270 0.064 0.117 0.430 127 A N -0.929 121.932 122.820 0.068 0.000 1.883 127 A HA -0.328 nan 4.320 nan 0.000 0.217 127 A C 2.228 179.857 177.584 0.075 0.000 1.186 127 A CA 3.097 55.176 52.037 0.071 0.000 0.624 127 A CB -0.934 18.111 19.000 0.075 0.000 0.822 127 A HN -0.567 7.625 8.150 0.070 0.000 0.444 128 N N -1.779 116.964 118.700 0.071 0.000 2.021 128 N HA -0.394 nan 4.740 nan 0.000 0.198 128 N C 2.224 177.767 175.510 0.055 0.000 1.041 128 N CA 3.069 56.157 53.050 0.063 0.000 0.862 128 N CB -0.579 37.940 38.487 0.054 0.000 1.048 128 N HN -0.217 8.206 8.380 0.073 0.000 0.427 129 K N 0.114 120.545 120.400 0.051 0.000 2.209 129 K HA -0.297 nan 4.320 nan 0.000 0.204 129 K C 2.701 179.333 176.600 0.054 0.000 1.048 129 K CA 2.957 59.270 56.287 0.043 0.000 0.940 129 K CB -0.004 32.518 32.500 0.037 0.000 0.729 129 K HN 0.044 8.146 8.250 0.053 0.180 0.451 130 E N -0.538 119.709 120.200 0.079 0.000 2.152 130 E HA -0.282 nan 4.350 nan 0.000 0.192 130 E C 1.984 178.666 176.600 0.137 0.000 0.983 130 E CA 2.757 59.233 56.400 0.127 0.000 0.818 130 E CB -0.157 29.620 29.700 0.129 0.000 0.758 130 E HN 0.096 8.371 8.360 0.075 0.129 0.467 131 A N -0.909 121.971 122.820 0.100 0.000 1.933 131 A HA -0.194 nan 4.320 nan 0.000 0.218 131 A C 1.539 179.163 177.584 0.067 0.000 1.175 131 A CA 3.029 55.122 52.037 0.094 0.000 0.628 131 A CB -0.535 18.520 19.000 0.092 0.000 0.814 131 A HN -0.269 7.934 8.150 0.089 0.000 0.444 132 S N -2.603 113.123 115.700 0.043 0.000 2.453 132 S HA -0.149 nan 4.470 nan 0.000 0.231 132 S C 1.332 175.923 174.600 -0.015 0.000 1.005 132 S CA 2.074 60.283 58.200 0.014 0.000 0.949 132 S CB 0.287 63.491 63.200 0.007 0.000 0.774 132 S HN -0.364 7.974 8.310 0.046 0.000 0.510 133 N N -0.178 118.510 118.700 -0.021 0.000 2.333 133 N HA -0.087 nan 4.740 nan 0.000 0.178 133 N C 0.083 175.379 175.510 -0.357 0.000 1.018 133 N CA 1.412 54.364 53.050 -0.164 0.000 0.882 133 N CB 0.998 39.390 38.487 -0.157 0.000 0.984 133 N HN -0.400 7.835 8.380 0.031 0.163 0.434 134 H N -1.363 117.716 119.070 0.016 0.000 2.854 134 H HA 0.368 nan 4.556 nan 0.000 0.275 134 H C -2.336 173.003 175.328 0.018 0.000 1.198 134 H CA -2.666 53.391 56.048 0.014 0.000 1.489 134 H CB 0.459 30.229 29.762 0.013 0.000 1.519 134 H HN -0.156 8.201 8.280 0.128 0.000 0.503 135 P HA -0.058 nan 4.420 nan 0.000 0.259 135 P C -1.518 175.822 177.300 0.068 0.000 1.635 135 P CA 0.466 63.605 63.100 0.065 0.000 1.199 135 P CB -0.520 31.201 31.700 0.035 0.000 1.850 136 D N 1.829 122.275 120.400 0.077 0.000 2.579 136 D HA 0.132 nan 4.640 nan 0.000 0.257 136 D C -0.689 175.637 176.300 0.044 0.000 1.176 136 D CA -1.195 52.838 54.000 0.055 0.000 0.914 136 D CB 2.623 43.456 40.800 0.055 0.000 1.431 136 D HN -0.519 7.883 8.370 0.090 0.021 0.454 137 Q N -1.127 118.688 119.800 0.024 0.000 2.451 137 Q HA -0.090 nan 4.340 nan 0.000 0.206 137 Q C 0.045 176.035 176.000 -0.016 0.000 0.947 137 Q CA 0.304 56.111 55.803 0.007 0.000 0.937 137 Q CB 0.416 29.154 28.738 0.000 0.000 1.025 137 Q HN 0.322 8.605 8.270 0.021 0.000 0.511 138 Q N 0.780 120.572 119.800 -0.014 0.000 2.286 138 Q HA -0.185 nan 4.340 nan 0.000 0.290 138 Q C -0.861 175.120 176.000 -0.033 0.000 1.049 138 Q CA 0.740 56.524 55.803 -0.031 0.000 0.923 138 Q CB 0.432 29.142 28.738 -0.045 0.000 1.183 138 Q HN -0.668 7.819 8.270 -0.004 -0.219 0.383 139 S N 3.697 119.371 115.700 -0.044 0.000 2.576 139 S HA 0.206 nan 4.470 nan 0.000 0.272 139 S C -0.917 173.666 174.600 -0.029 0.000 1.352 139 S CA 0.852 59.027 58.200 -0.042 0.000 1.021 139 S CB 0.470 63.642 63.200 -0.046 0.000 0.887 139 S HN 0.222 8.505 8.310 -0.046 0.000 0.542 140 I N 0.576 121.138 120.570 -0.013 0.000 2.545 140 I HA 0.282 nan 4.170 nan 0.000 0.292 140 I C -2.151 173.969 176.117 0.004 0.000 1.040 140 I CA -0.602 60.697 61.300 -0.000 0.000 1.068 140 I CB 3.298 41.314 38.000 0.027 0.000 1.251 140 I HN 0.560 8.764 8.210 -0.011 0.000 0.424 141 V N 6.436 126.351 119.914 0.002 0.000 2.577 141 V HA 0.602 nan 4.120 nan 0.000 0.303 141 V C -1.828 174.276 176.094 0.015 0.000 1.042 141 V CA -1.683 60.619 62.300 0.003 0.000 0.872 141 V CB 2.086 33.900 31.823 -0.015 0.000 0.998 141 V HN 0.152 8.341 8.190 -0.002 0.000 0.423 142 V N 7.853 127.784 119.914 0.029 0.000 2.604 142 V HA 0.409 nan 4.120 nan 0.000 0.305 142 V C -1.741 174.381 176.094 0.046 0.000 1.043 142 V CA -1.626 60.700 62.300 0.042 0.000 0.888 142 V CB 3.389 35.246 31.823 0.057 0.000 0.995 142 V HN 0.778 8.986 8.190 0.031 0.000 0.429 143 E N 5.714 125.947 120.200 0.055 0.000 2.105 143 E HA 0.151 nan 4.350 nan 0.000 0.285 143 E C 0.353 177.019 176.600 0.110 0.000 1.055 143 E CA -0.889 55.558 56.400 0.078 0.000 0.843 143 E CB 0.631 30.391 29.700 0.101 0.000 1.067 143 E HN 0.457 8.848 8.360 0.052 0.000 0.398 144 A N 8.198 131.096 122.820 0.129 0.000 2.019 144 A HA -0.242 nan 4.320 nan 0.000 0.219 144 A C 0.858 178.541 177.584 0.165 0.000 1.164 144 A CA 2.601 54.729 52.037 0.152 0.000 0.644 144 A CB -0.496 18.622 19.000 0.197 0.000 0.805 144 A HN 0.848 8.956 8.150 0.108 0.106 0.449 145 E N -1.895 118.436 120.200 0.219 0.000 2.164 145 E HA -0.312 nan 4.350 nan 0.000 0.206 145 E C 0.257 176.930 176.600 0.123 0.000 1.032 145 E CA 1.669 58.190 56.400 0.202 0.000 0.832 145 E CB 0.170 29.973 29.700 0.172 0.000 0.742 145 E HN 0.082 8.552 8.360 0.259 0.045 0.460 146 E N -4.282 115.965 120.200 0.078 0.000 8.880 146 E HA -0.306 nan 4.350 nan 0.000 0.183 146 E C -1.648 174.960 176.600 0.013 0.000 1.450 146 E CA 0.514 56.930 56.400 0.027 0.000 2.521 146 E CB 0.244 29.932 29.700 -0.019 0.000 1.229 146 E HN 0.029 8.406 8.360 0.088 0.036 0.443 147 T N 1.497 116.040 114.554 -0.019 0.000 3.172 147 T HA 0.243 nan 4.350 nan 0.000 0.320 147 T C -1.547 173.122 174.700 -0.053 0.000 1.085 147 T CA -0.301 61.785 62.100 -0.024 0.000 1.052 147 T CB 1.268 70.131 68.868 -0.007 0.000 1.107 147 T HN -0.166 8.055 8.240 -0.032 0.000 0.458 148 G N 2.161 110.917 108.800 -0.074 0.000 2.506 148 G HA2 0.005 nan 3.960 nan 0.000 0.292 148 G HA3 0.005 nan 3.960 nan 0.000 0.292 148 G C -2.085 172.759 174.900 -0.093 0.000 1.425 148 G CA -0.032 45.013 45.100 -0.092 0.000 0.788 148 G HN -0.214 8.038 8.290 -0.063 0.000 0.490 149 N N 0.679 119.333 118.700 -0.078 0.000 2.415 149 N HA 0.100 nan 4.740 nan 0.000 0.250 149 N C 0.151 175.619 175.510 -0.071 0.000 1.127 149 N CA -0.725 52.292 53.050 -0.054 0.000 0.945 149 N CB -0.005 38.463 38.487 -0.032 0.000 1.196 149 N HN 0.044 8.380 8.380 -0.074 0.000 0.499 150 I N 5.920 126.456 120.570 -0.056 0.000 2.472 150 I HA -0.208 nan 4.170 nan 0.000 0.305 150 I C -0.015 176.111 176.117 0.015 0.000 1.196 150 I CA 0.440 61.722 61.300 -0.029 0.000 1.613 150 I CB -1.522 36.511 38.000 0.055 0.000 1.501 150 I HN 0.117 8.302 8.210 -0.042 0.000 0.754 151 L N 4.119 125.346 121.223 0.006 0.000 2.179 151 L HA -0.039 nan 4.340 nan 0.000 0.208 151 L C 0.938 177.837 176.870 0.048 0.000 1.096 151 L CA 0.764 55.618 54.840 0.024 0.000 0.779 151 L CB -0.027 42.043 42.059 0.018 0.000 0.922 151 L HN -0.087 8.080 8.230 -0.020 0.051 0.443 152 D N -0.787 119.653 120.400 0.067 0.000 2.277 152 D HA 0.258 nan 4.640 nan 0.000 0.249 152 D C -0.719 175.659 176.300 0.130 0.000 1.134 152 D CA -2.348 51.712 54.000 0.101 0.000 0.863 152 D CB 1.409 42.286 40.800 0.127 0.000 1.143 152 D HN -0.496 7.864 8.370 0.051 0.040 0.458 153 P HA -0.168 nan 4.420 nan 0.000 0.216 153 P C 0.926 178.288 177.300 0.103 0.000 1.153 153 P CA 1.718 64.871 63.100 0.089 0.000 0.848 153 P CB 0.483 32.217 31.700 0.056 0.000 0.787 154 E N -2.265 118.008 120.200 0.121 0.000 2.204 154 E HA -0.246 nan 4.350 nan 0.000 0.194 154 E C 1.999 178.678 176.600 0.132 0.000 0.989 154 E CA 1.987 58.453 56.400 0.110 0.000 0.824 154 E CB -0.464 29.314 29.700 0.128 0.000 0.756 154 E HN -0.408 8.406 8.360 0.131 -0.375 0.477 155 Y N 0.674 121.028 120.300 0.090 0.000 2.283 155 Y HA -0.410 nan 4.550 nan 0.000 0.285 155 Y C 1.823 177.766 175.900 0.072 0.000 1.176 155 Y CA 2.705 60.863 58.100 0.097 0.000 1.229 155 Y CB -0.142 38.372 38.460 0.090 0.000 0.975 155 Y HN -0.295 8.429 8.280 0.317 -0.254 0.537 156 K N -1.143 119.193 120.400 -0.107 0.000 2.015 156 K HA -0.418 nan 4.320 nan 0.000 0.216 156 K C 1.994 178.490 176.600 -0.172 0.000 1.052 156 K CA 2.962 59.180 56.287 -0.114 0.000 0.937 156 K CB -0.567 31.940 32.500 0.012 0.000 0.719 156 K HN -0.495 7.766 8.250 0.059 0.024 0.446 157 L N -3.324 117.750 121.223 -0.248 0.000 2.633 157 L HA -0.123 nan 4.340 nan 0.000 0.235 157 L C 0.929 177.489 176.870 -0.517 0.000 1.163 157 L CA 0.992 55.489 54.840 -0.572 0.000 0.859 157 L CB -1.054 40.836 42.059 -0.281 0.000 0.973 157 L HN -0.184 7.870 8.230 -0.130 0.098 0.451 158 S N 0.248 115.766 115.700 -0.303 0.000 2.603 158 S HA -0.217 nan 4.470 nan 0.000 0.229 158 S C 1.098 175.648 174.600 -0.084 0.000 0.972 158 S CA 2.012 60.123 58.200 -0.148 0.000 0.935 158 S CB -0.309 62.825 63.200 -0.109 0.000 0.769 158 S HN -0.610 7.330 8.310 -0.284 0.200 0.536 159 Y N -1.158 119.156 120.300 0.023 0.000 2.181 159 Y HA -0.294 nan 4.550 nan 0.000 0.288 159 Y C 0.279 176.301 175.900 0.204 0.000 1.146 159 Y CA 1.671 59.836 58.100 0.108 0.000 1.164 159 Y CB -0.831 37.670 38.460 0.069 0.000 0.982 159 Y HN -0.467 7.638 8.280 -0.248 0.027 0.515 160 F N 0.260 120.100 119.950 -0.184 0.000 2.222 160 F HA 0.056 nan 4.527 nan 0.000 0.285 160 F C 1.781 177.564 175.800 -0.028 0.000 1.068 160 F CA 1.128 59.122 58.000 -0.010 0.000 1.265 160 F CB 1.706 40.658 39.000 -0.080 0.000 1.087 160 F HN -0.628 7.281 8.300 -0.402 0.150 0.511 161 R N -0.989 119.473 120.500 -0.064 0.000 2.091 161 R HA -0.323 nan 4.340 nan 0.000 0.238 161 R C 0.585 176.741 176.300 -0.240 0.000 1.136 161 R CA 3.075 59.078 56.100 -0.162 0.000 0.959 161 R CB 0.048 30.344 30.300 -0.007 0.000 0.856 161 R HN -0.526 7.782 8.270 0.064 0.000 0.437 162 E N -4.545 115.577 120.200 -0.130 0.000 2.444 162 E HA 0.027 nan 4.350 nan 0.000 0.191 162 E C -1.422 175.134 176.600 -0.074 0.000 1.041 162 E CA -0.713 55.632 56.400 -0.092 0.000 0.883 162 E CB -0.237 29.468 29.700 0.008 0.000 1.024 162 E HN -0.207 8.076 8.360 -0.078 0.030 0.470 163 D N 0.045 120.382 120.400 -0.105 0.000 2.339 163 D HA -0.037 nan 4.640 nan 0.000 0.245 163 D C 0.664 176.947 176.300 -0.029 0.000 1.115 163 D CA -0.240 53.729 54.000 -0.051 0.000 0.917 163 D CB 1.432 42.209 40.800 -0.038 0.000 1.192 163 D HN -0.901 7.258 8.370 -0.198 0.092 0.428 164 I N 3.708 124.257 120.570 -0.035 0.000 2.142 164 I HA -0.277 nan 4.170 nan 0.000 0.240 164 I C 1.070 177.224 176.117 0.062 0.000 1.078 164 I CA 3.668 64.975 61.300 0.012 0.000 1.343 164 I CB 0.246 38.094 38.000 -0.253 0.000 1.046 164 I HN 0.420 8.575 8.210 -0.091 0.000 0.405 165 G N -2.940 105.854 108.800 -0.010 0.000 2.403 165 G HA2 -0.217 nan 3.960 nan 0.000 0.216 165 G HA3 -0.217 nan 3.960 nan 0.000 0.216 165 G C 1.432 176.254 174.900 -0.131 0.000 1.154 165 G CA 1.694 46.772 45.100 -0.037 0.000 0.784 165 G HN -0.180 8.109 8.290 -0.001 0.000 0.538 166 I N 2.917 123.309 120.570 -0.297 0.000 2.069 166 I HA -0.552 nan 4.170 nan 0.000 0.237 166 I C 1.660 177.673 176.117 -0.173 0.000 1.053 166 I CA 3.059 64.080 61.300 -0.464 0.000 1.311 166 I CB -0.803 36.847 38.000 -0.583 0.000 1.030 166 I HN -0.870 7.349 8.210 -0.288 -0.182 0.398 167 N N -1.144 117.513 118.700 -0.072 0.000 2.244 167 N HA -0.250 nan 4.740 nan 0.000 0.183 167 N C 2.322 177.934 175.510 0.171 0.000 1.016 167 N CA 3.025 56.057 53.050 -0.029 0.000 0.866 167 N CB -0.205 38.135 38.487 -0.245 0.000 0.980 167 N HN -0.074 8.275 8.380 -0.053 0.000 0.430 168 A N 0.422 123.405 122.820 0.273 0.000 1.858 168 A HA -0.281 nan 4.320 nan 0.000 0.216 168 A C 1.578 179.161 177.584 -0.002 0.000 1.190 168 A CA 3.188 55.285 52.037 0.100 0.000 0.617 168 A CB -0.781 18.263 19.000 0.073 0.000 0.827 168 A HN 0.138 8.484 8.150 0.326 0.000 0.443 169 H N 0.086 119.221 119.070 0.108 0.000 2.357 169 H HA -0.459 nan 4.556 nan 0.000 0.296 169 H C 1.994 177.529 175.328 0.345 0.000 1.108 169 H CA 4.053 60.244 56.048 0.239 0.000 1.273 169 H CB -0.001 29.861 29.762 0.167 0.000 1.367 169 H HN -0.202 8.198 8.280 0.200 0.000 0.498 170 H N -1.131 118.053 119.070 0.190 0.000 2.290 170 H HA -0.360 nan 4.556 nan 0.000 0.298 170 H C 2.796 178.349 175.328 0.375 0.000 1.087 170 H CA 3.784 59.993 56.048 0.268 0.000 1.291 170 H CB 0.246 30.128 29.762 0.200 0.000 1.369 170 H HN -0.564 7.916 8.280 0.364 0.019 0.492 171 W N 0.671 122.086 121.300 0.193 0.000 2.332 171 W HA -0.428 nan 4.660 nan 0.000 0.321 171 W C 1.713 178.369 176.519 0.230 0.000 1.219 171 W CA 4.006 61.472 57.345 0.201 0.000 1.277 171 W CB -0.302 29.229 29.460 0.119 0.000 1.161 171 W HN -0.443 8.021 8.180 0.474 0.000 0.476 172 H N -2.406 116.947 119.070 0.472 0.000 2.394 172 H HA -0.435 nan 4.556 nan 0.000 0.297 172 H C 2.308 177.677 175.328 0.068 0.000 1.113 172 H CA 3.218 59.407 56.048 0.235 0.000 1.277 172 H CB -0.889 28.987 29.762 0.190 0.000 1.370 172 H HN -0.065 8.239 8.280 0.039 0.000 0.506 173 W N -0.260 121.028 121.300 -0.019 0.000 2.358 173 W HA -0.380 nan 4.660 nan 0.000 0.303 173 W C 1.868 178.421 176.519 0.056 0.000 1.208 173 W CA 4.827 62.153 57.345 -0.032 0.000 1.274 173 W CB 0.042 29.426 29.460 -0.127 0.000 1.138 173 W HN 0.635 8.933 8.180 0.197 0.000 0.515 174 H N -3.452 115.814 119.070 0.326 0.000 2.539 174 H HA -0.056 nan 4.556 nan 0.000 0.267 174 H C 1.202 176.469 175.328 -0.102 0.000 0.982 174 H CA 2.574 58.739 56.048 0.195 0.000 1.146 174 H CB 0.252 30.191 29.762 0.293 0.000 1.382 174 H HN -0.674 7.873 8.280 0.444 0.000 0.577 175 I N -0.912 119.612 120.570 -0.077 0.000 2.584 175 I HA -0.206 nan 4.170 nan 0.000 0.255 175 I C 1.087 177.102 176.117 -0.170 0.000 1.145 175 I CA 1.145 62.308 61.300 -0.228 0.000 1.462 175 I CB 0.705 38.625 38.000 -0.133 0.000 1.102 175 I HN -0.262 7.872 8.210 0.020 0.089 0.433 176 V N -6.386 113.375 119.914 -0.255 0.000 2.591 176 V HA -0.071 nan 4.120 nan 0.000 0.249 176 V C 0.459 176.074 176.094 -0.797 0.000 1.053 176 V CA 1.723 63.740 62.300 -0.473 0.000 1.068 176 V CB -0.250 31.198 31.823 -0.624 0.000 0.689 176 V HN -0.380 7.689 8.190 -0.202 0.000 0.462 177 Y N -1.532 118.539 120.300 -0.382 0.000 2.919 177 Y HA 0.552 nan 4.550 nan 0.000 0.341 177 Y C -2.584 173.274 175.900 -0.070 0.000 1.045 177 Y CA -3.598 54.284 58.100 -0.363 0.000 1.218 177 Y CB -0.671 37.432 38.460 -0.595 0.000 1.137 177 Y HN 0.006 7.877 8.280 -0.495 0.112 0.577 178 P HA 0.105 nan 4.420 nan 0.000 0.276 178 P C -0.045 177.343 177.300 0.146 0.000 1.230 178 P CA -0.280 62.882 63.100 0.103 0.000 0.776 178 P CB 0.762 32.447 31.700 -0.025 0.000 0.888 179 A N 3.819 126.719 122.820 0.132 0.000 1.940 179 A HA -0.328 nan 4.320 nan 0.000 0.219 179 A C 0.676 178.301 177.584 0.069 0.000 1.176 179 A CA 3.046 55.132 52.037 0.082 0.000 0.631 179 A CB -0.568 18.461 19.000 0.047 0.000 0.814 179 A HN 0.633 8.869 8.150 0.143 0.000 0.446 180 T N -5.826 108.757 114.554 0.047 0.000 3.252 180 T HA -0.101 nan 4.350 nan 0.000 0.250 180 T C 0.603 175.272 174.700 -0.051 0.000 1.123 180 T CA -1.370 60.735 62.100 0.008 0.000 1.006 180 T CB -1.571 67.314 68.868 0.028 0.000 0.992 180 T HN -0.244 8.015 8.240 0.044 0.007 0.547 181 W N 4.298 125.503 121.300 -0.158 0.000 2.771 181 W HA -0.221 nan 4.660 nan 0.000 0.407 181 W C -1.748 174.691 176.519 -0.132 0.000 1.221 181 W CA -0.189 57.045 57.345 -0.185 0.000 1.539 181 W CB -0.962 28.387 29.460 -0.185 0.000 1.647 181 W HN -0.280 7.824 8.180 0.184 0.186 0.469 182 N N 7.938 126.376 118.700 -0.437 0.000 2.452 182 N HA -0.062 nan 4.740 nan 0.000 0.266 182 N C -1.105 174.035 175.510 -0.617 0.000 1.209 182 N CA -0.930 51.888 53.050 -0.387 0.000 0.929 182 N CB 0.915 39.214 38.487 -0.315 0.000 1.063 182 N HN -0.332 7.764 8.380 -0.399 0.044 0.472 183 P HA -0.120 nan 4.420 nan 0.000 0.216 183 P C 0.140 177.341 177.300 -0.165 0.000 1.153 183 P CA 1.946 64.973 63.100 -0.121 0.000 0.844 183 P CB 0.623 32.354 31.700 0.052 0.000 0.787 184 T N -4.591 109.877 114.554 -0.143 0.000 2.732 184 T HA -0.157 nan 4.350 nan 0.000 0.261 184 T C 2.859 177.476 174.700 -0.139 0.000 1.040 184 T CA 3.272 65.310 62.100 -0.104 0.000 1.145 184 T CB -0.547 68.279 68.868 -0.071 0.000 0.866 184 T HN -0.142 8.181 8.240 -0.146 -0.171 0.427 185 V N 2.070 121.874 119.914 -0.184 0.000 2.759 185 V HA -0.191 nan 4.120 nan 0.000 0.256 185 V C 1.215 177.144 176.094 -0.274 0.000 1.080 185 V CA 3.087 65.275 62.300 -0.188 0.000 1.101 185 V CB -0.649 31.072 31.823 -0.170 0.000 0.698 185 V HN 0.263 8.673 8.190 -0.189 -0.333 0.477 186 M N -2.670 116.672 119.600 -0.431 0.000 2.560 186 M HA 0.164 nan 4.480 nan 0.000 0.297 186 M C 0.444 176.602 176.300 -0.237 0.000 1.201 186 M CA -1.574 53.408 55.300 -0.530 0.000 0.973 186 M CB -0.663 31.203 32.600 -1.223 0.000 1.401 186 M HN -0.407 7.582 8.290 -0.458 0.026 0.497 187 G N 0.525 109.246 108.800 -0.131 0.000 2.458 187 G HA2 -0.409 nan 3.960 nan 0.000 0.237 187 G HA3 -0.409 nan 3.960 nan 0.000 0.237 187 G C -1.020 173.892 174.900 0.020 0.000 1.113 187 G CA 1.119 46.199 45.100 -0.033 0.000 0.655 187 G HN 0.127 8.129 8.290 -0.157 0.193 0.513 188 K N -0.517 119.934 120.400 0.084 0.000 2.522 188 K HA 0.358 nan 4.320 nan 0.000 0.275 188 K C -2.055 174.707 176.600 0.270 0.000 1.006 188 K CA -1.205 55.164 56.287 0.136 0.000 0.890 188 K CB 2.509 35.079 32.500 0.116 0.000 1.475 188 K HN -0.369 7.832 8.250 0.089 0.102 0.441 189 E N -0.176 120.132 120.200 0.179 0.000 2.285 189 E HA 0.209 nan 4.350 nan 0.000 0.254 189 E C -0.652 175.955 176.600 0.013 0.000 1.011 189 E CA -1.532 54.978 56.400 0.184 0.000 0.873 189 E CB 1.624 31.393 29.700 0.115 0.000 1.229 189 E HN 0.177 8.602 8.360 0.108 0.000 0.422 190 K N 0.215 120.597 120.400 -0.029 0.000 2.572 190 K HA 0.280 nan 4.320 nan 0.000 0.244 190 K C -1.145 175.466 176.600 0.019 0.000 0.965 190 K CA -1.427 54.797 56.287 -0.106 0.000 0.943 190 K CB 0.889 33.225 32.500 -0.273 0.000 1.154 190 K HN 0.312 8.595 8.250 0.055 0.000 0.447 191 D N 5.859 126.285 120.400 0.045 0.000 2.502 191 D HA -0.196 nan 4.640 nan 0.000 0.249 191 D C -0.237 176.082 176.300 0.032 0.000 1.188 191 D CA 1.457 55.490 54.000 0.056 0.000 0.890 191 D CB 0.162 41.004 40.800 0.069 0.000 1.140 191 D HN 0.474 8.857 8.370 0.023 0.000 0.505 192 R N -0.204 120.309 120.500 0.022 0.000 3.641 192 R HA -0.525 nan 4.340 nan 0.000 0.286 192 R C 0.510 176.782 176.300 -0.047 0.000 1.153 192 R CA 1.187 57.292 56.100 0.009 0.000 0.775 192 R CB -2.087 28.226 30.300 0.022 0.000 1.215 192 R HN 0.697 8.990 8.270 0.039 0.000 0.474 193 K N -1.043 119.296 120.400 -0.101 0.000 2.152 193 K HA -0.279 nan 4.320 nan 0.000 0.206 193 K C 1.824 178.443 176.600 0.032 0.000 1.048 193 K CA 2.788 58.941 56.287 -0.224 0.000 0.933 193 K CB -0.574 31.806 32.500 -0.200 0.000 0.721 193 K HN -0.498 7.723 8.250 -0.048 0.000 0.447 194 G N -1.112 107.750 108.800 0.103 0.000 2.434 194 G HA2 -0.262 nan 3.960 nan 0.000 0.214 194 G HA3 -0.262 nan 3.960 nan 0.000 0.214 194 G C 0.340 175.411 174.900 0.285 0.000 1.202 194 G CA 1.677 46.918 45.100 0.235 0.000 0.788 194 G HN 0.196 8.824 8.290 0.071 -0.295 0.539 195 E N 2.380 122.682 120.200 0.169 0.000 2.058 195 E HA -0.287 nan 4.350 nan 0.000 0.194 195 E C 1.974 178.642 176.600 0.113 0.000 0.997 195 E CA 2.577 59.054 56.400 0.129 0.000 0.801 195 E CB -0.169 29.581 29.700 0.083 0.000 0.746 195 E HN -0.850 7.767 8.360 0.137 -0.174 0.450 196 L N -0.997 120.291 121.223 0.109 0.000 2.131 196 L HA -0.315 nan 4.340 nan 0.000 0.210 196 L C 1.159 178.189 176.870 0.267 0.000 1.092 196 L CA 2.780 57.727 54.840 0.179 0.000 0.759 196 L CB -0.516 41.629 42.059 0.145 0.000 0.903 196 L HN 0.066 8.346 8.230 0.083 0.000 0.435 197 F N 0.697 120.730 119.950 0.138 0.000 2.234 197 F HA -0.364 nan 4.527 nan 0.000 0.299 197 F C 1.299 176.993 175.800 -0.177 0.000 1.087 197 F CA 3.235 61.203 58.000 -0.053 0.000 1.340 197 F CB -0.064 38.965 39.000 0.048 0.000 1.031 197 F HN -0.483 7.935 8.300 0.390 0.115 0.500 198 F N 1.461 120.998 119.950 -0.690 0.000 2.026 198 F HA -0.492 nan 4.527 nan 0.000 0.296 198 F C 0.620 176.132 175.800 -0.480 0.000 1.133 198 F CA 2.998 60.372 58.000 -1.044 0.000 1.188 198 F CB -0.712 37.443 39.000 -1.407 0.000 0.968 198 F HN 0.044 8.191 8.300 -0.135 0.071 0.476 199 Y N -0.050 119.716 120.300 -0.889 0.000 2.049 199 Y HA -0.559 nan 4.550 nan 0.000 0.277 199 Y C 1.725 177.227 175.900 -0.664 0.000 1.143 199 Y CA 3.554 61.077 58.100 -0.962 0.000 1.115 199 Y CB -0.083 38.056 38.460 -0.536 0.000 0.975 199 Y HN -0.121 8.010 8.280 -0.249 0.000 0.487 200 M N -2.073 117.188 119.600 -0.564 0.000 2.143 200 M HA -0.528 nan 4.480 nan 0.000 0.258 200 M C 1.836 177.628 176.300 -0.846 0.000 1.071 200 M CA 3.058 57.896 55.300 -0.770 0.000 1.088 200 M CB -0.430 31.696 32.600 -0.790 0.000 1.360 200 M HN 0.082 8.232 8.290 -0.233 0.000 0.404 201 H N -2.062 116.636 119.070 -0.619 0.000 2.403 201 H HA -0.142 nan 4.556 nan 0.000 0.298 201 H C 2.449 177.600 175.328 -0.294 0.000 1.059 201 H CA 3.962 59.799 56.048 -0.352 0.000 1.363 201 H CB -0.437 29.115 29.762 -0.350 0.000 1.410 201 H HN -0.458 7.436 8.280 -0.418 0.135 0.528 202 Q N -0.103 119.474 119.800 -0.371 0.000 2.020 202 Q HA -0.402 nan 4.340 nan 0.000 0.202 202 Q C 2.330 178.098 176.000 -0.387 0.000 0.982 202 Q CA 3.458 59.069 55.803 -0.321 0.000 0.838 202 Q CB -0.166 28.300 28.738 -0.453 0.000 0.899 202 Q HN -0.004 7.950 8.270 -0.526 0.000 0.423 203 Q N -1.141 118.219 119.800 -0.733 0.000 2.112 203 Q HA -0.343 nan 4.340 nan 0.000 0.206 203 Q C 2.699 178.289 176.000 -0.684 0.000 0.987 203 Q CA 2.788 58.087 55.803 -0.839 0.000 0.858 203 Q CB -0.432 27.405 28.738 -1.500 0.000 0.905 203 Q HN 0.223 7.900 8.270 -0.989 0.000 0.420 204 M N -0.275 118.958 119.600 -0.612 0.000 2.082 204 M HA -0.433 nan 4.480 nan 0.000 0.258 204 M C 2.074 178.524 176.300 0.249 0.000 1.071 204 M CA 4.519 59.749 55.300 -0.117 0.000 1.103 204 M CB -0.018 32.712 32.600 0.215 0.000 1.307 204 M HN 0.061 7.928 8.290 -0.704 0.000 0.409 205 C N -2.525 116.905 119.300 0.217 0.000 2.472 205 C HA -0.151 nan 4.460 nan 0.000 0.278 205 C C 2.083 177.197 174.990 0.207 0.000 1.447 205 C CA 2.427 61.650 59.018 0.340 0.000 1.773 205 C CB -2.442 25.500 27.740 0.336 0.000 1.793 205 C HN -0.178 8.106 8.230 0.089 0.000 0.544 206 A N 1.192 124.050 122.820 0.062 0.000 1.935 206 A HA -0.133 nan 4.320 nan 0.000 0.214 206 A C 1.486 179.076 177.584 0.009 0.000 1.178 206 A CA 3.034 55.087 52.037 0.027 0.000 0.640 206 A CB -0.624 18.369 19.000 -0.011 0.000 0.825 206 A HN 0.681 8.689 8.150 -0.023 0.128 0.447 207 R N -0.459 120.037 120.500 -0.006 0.000 2.083 207 R HA -0.408 nan 4.340 nan 0.000 0.237 207 R C 2.019 178.196 176.300 -0.205 0.000 1.137 207 R CA 3.576 59.660 56.100 -0.027 0.000 0.951 207 R CB -0.130 30.239 30.300 0.115 0.000 0.851 207 R HN -0.169 8.069 8.270 -0.052 0.000 0.434 208 Y N 0.483 120.602 120.300 -0.301 0.000 2.053 208 Y HA -0.480 nan 4.550 nan 0.000 0.277 208 Y C 1.342 177.069 175.900 -0.289 0.000 1.159 208 Y CA 3.474 61.310 58.100 -0.440 0.000 1.125 208 Y CB -0.151 38.132 38.460 -0.296 0.000 0.969 208 Y HN 0.154 8.567 8.280 0.221 0.000 0.492 209 D N -2.668 117.668 120.400 -0.106 0.000 2.228 209 D HA -0.399 nan 4.640 nan 0.000 0.203 209 D C 2.730 178.925 176.300 -0.175 0.000 0.988 209 D CA 3.268 57.172 54.000 -0.161 0.000 0.864 209 D CB -0.931 39.857 40.800 -0.019 0.000 0.928 209 D HN 0.028 8.333 8.370 0.104 0.127 0.469 210 S N -0.223 115.404 115.700 -0.120 0.000 2.345 210 S HA -0.209 nan 4.470 nan 0.000 0.220 210 S C 2.497 177.047 174.600 -0.084 0.000 1.031 210 S CA 3.039 61.220 58.200 -0.031 0.000 0.996 210 S CB -0.013 63.240 63.200 0.088 0.000 0.882 210 S HN -0.199 8.033 8.310 -0.101 0.018 0.445 211 E N 1.684 121.752 120.200 -0.220 0.000 2.187 211 E HA -0.414 nan 4.350 nan 0.000 0.199 211 E C 2.467 178.903 176.600 -0.273 0.000 1.004 211 E CA 3.166 59.430 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 -0.118 8.007 8.360 -0.295 0.058 0.468 212 R N -1.631 118.600 120.500 -0.449 0.000 2.070 212 R HA -0.277 nan 4.340 nan 0.000 0.233 212 R C 2.583 178.771 176.300 -0.187 0.000 1.137 212 R CA 3.180 59.063 56.100 -0.362 0.000 0.945 212 R CB -0.102 29.938 30.300 -0.434 0.000 0.845 212 R HN 0.245 8.161 8.270 -0.580 0.005 0.430 213 L N -1.500 119.630 121.223 -0.154 0.000 2.201 213 L HA -0.230 nan 4.340 nan 0.000 0.212 213 L C 2.700 179.527 176.870 -0.072 0.000 1.105 213 L CA 2.759 57.530 54.840 -0.115 0.000 0.775 213 L CB -0.617 41.358 42.059 -0.139 0.000 0.913 213 L HN -0.500 7.623 8.230 -0.178 0.000 0.440 214 S N 1.774 117.475 115.700 0.001 0.000 2.368 214 S HA -0.352 nan 4.470 nan 0.000 0.225 214 S C 1.708 176.322 174.600 0.022 0.000 1.030 214 S CA 4.445 62.699 58.200 0.091 0.000 0.999 214 S CB -0.542 62.752 63.200 0.156 0.000 0.844 214 S HN 0.490 8.659 8.310 -0.017 0.131 0.459 215 N N -1.478 117.218 118.700 -0.007 0.000 2.520 215 N HA -0.214 nan 4.740 nan 0.000 0.185 215 N C 0.197 175.684 175.510 -0.037 0.000 1.068 215 N CA 1.001 54.040 53.050 -0.019 0.000 0.911 215 N CB 0.228 38.703 38.487 -0.019 0.000 0.961 215 N HN -0.821 7.540 8.380 -0.018 0.009 0.446 216 G N -1.868 106.898 108.800 -0.058 0.000 2.212 216 G HA2 -0.307 nan 3.960 nan 0.000 0.255 216 G HA3 -0.307 nan 3.960 nan 0.000 0.255 216 G C -0.868 173.994 174.900 -0.065 0.000 1.062 216 G CA 0.276 45.334 45.100 -0.070 0.000 0.815 216 G HN -0.415 7.623 8.290 -0.061 0.216 0.497 217 L N -2.273 118.905 121.223 -0.076 0.000 2.299 217 L HA 0.410 nan 4.340 nan 0.000 0.268 217 L C -0.770 176.049 176.870 -0.086 0.000 1.012 217 L CA -2.115 52.681 54.840 -0.074 0.000 0.816 217 L CB 2.827 44.836 42.059 -0.084 0.000 1.355 217 L HN -0.030 8.149 8.230 -0.086 0.000 0.457 218 Q N -3.307 116.450 119.800 -0.071 0.000 2.260 218 Q HA 0.171 nan 4.340 nan 0.000 0.238 218 Q C -0.410 175.540 176.000 -0.084 0.000 0.948 218 Q CA -1.019 54.744 55.803 -0.066 0.000 0.895 218 Q CB 0.976 29.691 28.738 -0.038 0.000 1.218 218 Q HN 0.040 8.276 8.270 -0.056 0.000 0.470 219 R N -0.327 120.130 120.500 -0.073 0.000 2.740 219 R HA -0.261 nan 4.340 nan 0.000 0.263 219 R C -0.141 176.158 176.300 -0.002 0.000 0.997 219 R CA 1.249 57.315 56.100 -0.056 0.000 1.108 219 R CB 0.391 30.678 30.300 -0.023 0.000 0.969 219 R HN -0.170 8.258 8.270 -0.067 -0.198 0.431 220 M N 1.918 121.553 119.600 0.058 0.000 2.188 220 M HA -0.127 nan 4.480 nan 0.000 0.354 220 M C -0.370 176.017 176.300 0.145 0.000 1.342 220 M CA -1.012 54.379 55.300 0.151 0.000 1.117 220 M CB 0.793 33.599 32.600 0.344 0.000 1.670 220 M HN -0.009 8.678 8.290 0.066 -0.358 0.466 221 I N 7.103 127.749 120.570 0.126 0.000 2.598 221 I HA 0.060 nan 4.170 nan 0.000 0.284 221 I C -1.823 174.381 176.117 0.144 0.000 1.140 221 I CA -2.717 58.650 61.300 0.111 0.000 1.420 221 I CB 0.961 39.011 38.000 0.083 0.000 1.387 221 I HN 0.101 8.381 8.210 0.117 0.000 0.553 222 P HA 0.004 nan 4.420 nan 0.000 0.271 222 P C -1.150 176.222 177.300 0.120 0.000 1.218 222 P CA -0.871 62.325 63.100 0.159 0.000 0.780 222 P CB 0.726 32.530 31.700 0.172 0.000 0.901 223 F N 4.354 124.226 119.950 -0.130 0.000 2.661 223 F HA -0.034 nan 4.527 nan 0.000 0.356 223 F C -0.514 174.774 175.800 -0.853 0.000 1.244 223 F CA -1.198 56.576 58.000 -0.377 0.000 1.290 223 F CB -0.654 38.152 39.000 -0.324 0.000 1.677 223 F HN 0.161 8.498 8.300 0.182 0.072 0.649 224 H N 5.059 123.771 119.070 -0.597 0.000 2.436 224 H HA -0.142 nan 4.556 nan 0.000 0.294 224 H C -0.615 174.296 175.328 -0.694 0.000 1.048 224 H CA 1.451 57.187 56.048 -0.520 0.000 1.353 224 H CB 0.736 30.399 29.762 -0.165 0.000 1.414 224 H HN -0.060 8.042 8.280 -0.208 0.053 0.536 225 N N -2.395 115.852 118.700 -0.755 0.000 2.384 225 N HA -0.002 nan 4.740 nan 0.000 0.301 225 N C -0.441 174.416 175.510 -1.089 0.000 1.133 225 N CA -1.407 51.289 53.050 -0.589 0.000 0.853 225 N CB 1.635 39.971 38.487 -0.252 0.000 1.241 225 N HN -0.521 7.381 8.380 -0.798 0.000 0.502 226 F N -0.593 119.017 119.950 -0.567 0.000 2.530 226 F HA -0.037 nan 4.527 nan 0.000 0.292 226 F C 0.937 176.639 175.800 -0.164 0.000 1.109 226 F CA 1.826 59.594 58.000 -0.386 0.000 1.450 226 F CB 0.735 39.684 39.000 -0.085 0.000 1.114 226 F HN 0.423 8.758 8.300 0.059 0.000 0.560 227 D N -0.930 119.474 120.400 0.007 0.000 2.104 227 D HA -0.257 nan 4.640 nan 0.000 0.194 227 D C 0.765 177.079 176.300 0.023 0.000 0.994 227 D CA 2.670 56.680 54.000 0.017 0.000 0.830 227 D CB -0.291 40.505 40.800 -0.007 0.000 0.959 227 D HN -0.707 7.899 8.370 -0.008 -0.241 0.452 228 E N -0.370 119.796 120.200 -0.056 0.000 2.493 228 E HA 0.078 nan 4.350 nan 0.000 0.255 228 E C -1.332 175.355 176.600 0.144 0.000 0.999 228 E CA -1.128 55.272 56.400 -0.000 0.000 0.934 228 E CB -0.682 28.970 29.700 -0.081 0.000 0.940 228 E HN 0.013 8.275 8.360 -0.162 0.000 0.473 229 P HA -0.143 nan 4.420 nan 0.000 0.267 229 P C -1.576 175.869 177.300 0.241 0.000 1.195 229 P CA 0.667 63.896 63.100 0.215 0.000 0.773 229 P CB 0.360 32.164 31.700 0.173 0.000 0.837 230 L N 1.465 122.827 121.223 0.232 0.000 2.325 230 L HA 0.216 nan 4.340 nan 0.000 0.279 230 L C -0.037 176.886 176.870 0.088 0.000 1.054 230 L CA -0.658 54.271 54.840 0.148 0.000 0.804 230 L CB 1.066 43.177 42.059 0.087 0.000 1.200 230 L HN 0.351 8.636 8.230 0.269 0.107 0.436 231 E N 2.255 122.496 120.200 0.069 0.000 2.422 231 E HA -0.144 nan 4.350 nan 0.000 0.260 231 E C 0.307 176.912 176.600 0.009 0.000 1.108 231 E CA 0.628 57.060 56.400 0.054 0.000 0.943 231 E CB 0.808 30.551 29.700 0.072 0.000 0.961 231 E HN 0.301 8.709 8.360 0.079 0.000 0.443 232 G N -0.589 108.225 108.800 0.023 0.000 2.377 232 G HA2 0.384 nan 3.960 nan 0.000 0.299 232 G HA3 0.384 nan 3.960 nan 0.000 0.299 232 G C -1.761 173.217 174.900 0.131 0.000 1.150 232 G CA -0.433 44.665 45.100 -0.003 0.000 0.847 232 G HN 0.012 8.334 8.290 0.052 0.000 0.501 233 Y N 3.912 124.164 120.300 -0.080 0.000 2.474 233 Y HA 0.073 nan 4.550 nan 0.000 0.326 233 Y C -2.890 172.961 175.900 -0.082 0.000 1.160 233 Y CA 0.445 58.517 58.100 -0.048 0.000 1.056 233 Y CB 4.290 42.733 38.460 -0.029 0.000 1.330 233 Y HN 0.921 9.100 8.280 0.012 0.108 0.447 234 A N 5.954 128.306 122.820 -0.781 0.000 2.293 234 A HA 0.469 nan 4.320 nan 0.000 0.312 234 A C -1.905 175.029 177.584 -1.084 0.000 1.309 234 A CA -4.416 47.147 52.037 -0.791 0.000 0.839 234 A CB 0.543 19.131 19.000 -0.687 0.000 1.155 234 A HN 0.316 7.938 8.150 -0.881 0.000 0.501 235 P HA -0.183 nan 4.420 nan 0.000 0.220 235 P C -0.718 176.552 177.300 -0.051 0.000 1.148 235 P CA 1.132 64.040 63.100 -0.319 0.000 0.803 235 P CB 0.175 31.800 31.700 -0.126 0.000 0.782 236 H N -6.881 112.102 119.070 -0.146 0.000 2.880 236 H HA -0.286 nan 4.556 nan 0.000 0.304 236 H C -1.700 173.629 175.328 0.002 0.000 1.259 236 H CA 0.348 56.362 56.048 -0.057 0.000 1.153 236 H CB -1.891 27.845 29.762 -0.044 0.000 1.395 236 H HN 0.386 8.373 8.280 -0.413 0.046 0.420 237 L N -0.545 120.732 121.223 0.090 0.000 2.377 237 L HA 0.360 nan 4.340 nan 0.000 0.270 237 L C -1.217 175.782 176.870 0.215 0.000 0.991 237 L CA -0.899 54.020 54.840 0.130 0.000 0.851 237 L CB 1.752 43.830 42.059 0.032 0.000 1.218 237 L HN -0.284 7.974 8.230 0.047 0.000 0.420 238 T N -0.755 113.902 114.554 0.172 0.000 2.875 238 T HA 0.464 nan 4.350 nan 0.000 0.284 238 T C -0.101 174.700 174.700 0.168 0.000 0.995 238 T CA -2.381 59.809 62.100 0.150 0.000 1.060 238 T CB 0.831 69.757 68.868 0.096 0.000 0.967 238 T HN 0.077 8.406 8.240 0.148 0.000 0.476 239 S N 3.574 119.346 115.700 0.121 0.000 2.499 239 S HA 0.303 nan 4.470 nan 0.000 0.275 239 S C 1.761 176.434 174.600 0.121 0.000 1.257 239 S CA -1.071 57.205 58.200 0.126 0.000 1.050 239 S CB 0.983 64.178 63.200 -0.008 0.000 0.937 239 S HN 0.014 8.358 8.310 0.056 0.000 0.490 240 L N 1.534 122.862 121.223 0.175 0.000 2.456 240 L HA -0.101 nan 4.340 nan 0.000 0.224 240 L C 0.522 177.479 176.870 0.145 0.000 1.148 240 L CA 2.198 57.133 54.840 0.158 0.000 0.825 240 L CB -0.572 41.600 42.059 0.187 0.000 0.937 240 L HN 0.101 8.692 8.230 0.227 -0.225 0.450 241 V N -7.202 112.803 119.914 0.152 0.000 2.719 241 V HA -0.071 nan 4.120 nan 0.000 0.252 241 V C 0.604 176.737 176.094 0.064 0.000 1.065 241 V CA 0.667 63.042 62.300 0.124 0.000 1.086 241 V CB -0.485 31.411 31.823 0.122 0.000 0.700 241 V HN 0.208 8.428 8.190 0.155 0.062 0.467 242 S N 0.042 115.768 115.700 0.044 0.000 3.359 242 S HA 0.350 nan 4.470 nan 0.000 0.323 242 S C -0.115 174.500 174.600 0.024 0.000 1.143 242 S CA -0.654 57.560 58.200 0.023 0.000 0.989 242 S CB 1.796 65.001 63.200 0.007 0.000 1.375 242 S HN -0.787 7.553 8.310 0.049 0.000 0.728 243 G N -0.057 108.752 108.800 0.014 0.000 2.762 243 G HA2 0.169 nan 3.960 nan 0.000 0.209 243 G HA3 0.169 nan 3.960 nan 0.000 0.209 243 G C -0.910 173.997 174.900 0.012 0.000 1.134 243 G CA -0.035 45.075 45.100 0.017 0.000 0.781 243 G HN 0.298 8.592 8.290 0.008 0.000 0.528 244 L N 0.784 122.004 121.223 -0.004 0.000 2.416 244 L HA 0.056 nan 4.340 nan 0.000 0.212 244 L C -0.560 176.295 176.870 -0.026 0.000 1.200 244 L CA 0.697 55.526 54.840 -0.017 0.000 0.841 244 L CB 0.747 42.788 42.059 -0.031 0.000 1.299 244 L HN -0.700 7.526 8.230 -0.007 0.000 0.538 245 Q N -5.588 114.188 119.800 -0.040 0.000 2.534 245 Q HA 0.288 nan 4.340 nan 0.000 0.290 245 Q C -1.227 174.738 176.000 -0.058 0.000 0.991 245 Q CA -1.518 54.273 55.803 -0.020 0.000 0.783 245 Q CB 2.717 31.493 28.738 0.062 0.000 1.470 245 Q HN -0.234 8.012 8.270 -0.041 0.000 0.406 246 Y N 0.350 120.655 120.300 0.008 0.000 2.802 246 Y HA -0.307 nan 4.550 nan 0.000 0.351 246 Y C -0.119 175.776 175.900 -0.008 0.000 1.237 246 Y CA 1.401 59.505 58.100 0.007 0.000 1.599 246 Y CB -1.101 37.359 38.460 -0.000 0.000 1.214 246 Y HN -0.312 8.133 8.280 0.275 0.000 0.520 247 A N 7.076 129.958 122.820 0.105 0.000 2.567 247 A HA -0.155 nan 4.320 nan 0.000 0.240 247 A C -1.317 176.306 177.584 0.065 0.000 1.053 247 A CA 0.777 52.854 52.037 0.067 0.000 0.755 247 A CB 0.519 19.563 19.000 0.074 0.000 0.978 247 A HN 0.294 8.486 8.150 0.071 0.000 0.507 248 S N 0.228 115.930 115.700 0.004 0.000 2.509 248 S HA 0.320 nan 4.470 nan 0.000 0.297 248 S C -0.924 173.637 174.600 -0.066 0.000 1.118 248 S CA -1.977 56.197 58.200 -0.043 0.000 1.074 248 S CB 1.826 64.941 63.200 -0.140 0.000 1.038 248 S HN -0.319 7.985 8.310 -0.010 0.000 0.498 249 R N 2.988 123.430 120.500 -0.097 0.000 2.221 249 R HA 0.476 nan 4.340 nan 0.000 0.327 249 R C -2.043 174.036 176.300 -0.368 0.000 1.033 249 R CA -2.469 53.469 56.100 -0.269 0.000 0.887 249 R CB 0.731 30.886 30.300 -0.242 0.000 1.057 249 R HN 0.059 8.297 8.270 -0.054 0.000 0.455 250 P HA -0.074 nan 4.420 nan 0.000 0.272 250 P C -1.610 175.383 177.300 -0.511 0.000 1.230 250 P CA -0.270 62.623 63.100 -0.345 0.000 0.788 250 P CB 0.458 32.136 31.700 -0.037 0.000 0.949 251 E N -0.052 120.071 120.200 -0.129 0.000 2.397 251 E HA -0.117 nan 4.350 nan 0.000 0.254 251 E C 0.543 177.253 176.600 0.184 0.000 1.231 251 E CA -0.624 55.774 56.400 -0.004 0.000 0.954 251 E CB 0.055 29.783 29.700 0.046 0.000 1.024 251 E HN -0.052 8.278 8.360 -0.050 0.000 0.481 252 G N -1.014 107.917 108.800 0.218 0.000 2.160 252 G HA2 -0.369 nan 3.960 nan 0.000 0.244 252 G HA3 -0.369 nan 3.960 nan 0.000 0.244 252 G C -0.729 174.408 174.900 0.395 0.000 1.022 252 G CA 0.456 45.711 45.100 0.259 0.000 0.741 252 G HN -0.167 8.222 8.290 0.165 0.000 0.508 253 Y N -0.161 120.207 120.300 0.112 0.000 2.385 253 Y HA 0.161 nan 4.550 nan 0.000 0.341 253 Y C -1.072 174.928 175.900 0.166 0.000 0.965 253 Y CA -2.878 55.306 58.100 0.140 0.000 1.180 253 Y CB 0.129 38.666 38.460 0.128 0.000 1.139 253 Y HN -0.850 7.659 8.280 0.420 0.023 0.502 254 S N 3.110 118.961 115.700 0.252 0.000 2.603 254 S HA 0.209 nan 4.470 nan 0.000 0.268 254 S C -0.915 173.840 174.600 0.257 0.000 1.317 254 S CA -0.758 57.561 58.200 0.198 0.000 1.012 254 S CB 0.970 64.203 63.200 0.055 0.000 0.926 254 S HN 0.495 8.917 8.310 0.187 0.000 0.539 255 I N 3.297 124.006 120.570 0.231 0.000 2.696 255 I HA -0.049 nan 4.170 nan 0.000 0.284 255 I C -1.514 174.684 176.117 0.135 0.000 1.129 255 I CA -0.179 61.281 61.300 0.267 0.000 1.410 255 I CB 0.905 39.133 38.000 0.381 0.000 1.399 255 I HN 0.143 8.483 8.210 0.216 0.000 0.579 256 H N 6.330 125.468 119.070 0.113 0.000 2.717 256 H HA 0.240 nan 4.556 nan 0.000 0.366 256 H C -1.420 173.938 175.328 0.051 0.000 1.132 256 H CA -1.087 55.001 56.048 0.067 0.000 1.180 256 H CB 3.290 33.084 29.762 0.055 0.000 1.678 256 H HN 0.382 8.844 8.280 0.303 0.000 0.537 257 D N 1.902 122.376 120.400 0.123 0.000 2.364 257 D HA 0.077 nan 4.640 nan 0.000 0.236 257 D C -0.916 175.427 176.300 0.071 0.000 1.221 257 D CA 1.112 55.141 54.000 0.049 0.000 0.891 257 D CB 0.515 41.313 40.800 -0.002 0.000 1.190 257 D HN 0.106 8.527 8.370 0.084 0.000 0.449 258 L N -0.821 120.422 121.223 0.034 0.000 2.323 258 L HA 0.287 nan 4.340 nan 0.000 0.265 258 L C 0.515 177.411 176.870 0.042 0.000 1.012 258 L CA -0.983 53.898 54.840 0.067 0.000 0.820 258 L CB 2.292 44.418 42.059 0.110 0.000 1.334 258 L HN -0.286 7.934 8.230 -0.016 0.000 0.427 259 S N 1.098 116.841 115.700 0.072 0.000 2.440 259 S HA -0.305 nan 4.470 nan 0.000 0.238 259 S C 0.195 174.833 174.600 0.063 0.000 1.010 259 S CA 2.900 61.137 58.200 0.062 0.000 0.972 259 S CB -0.163 63.084 63.200 0.078 0.000 0.774 259 S HN 0.842 9.203 8.310 0.086 0.000 0.501 260 D N 1.168 121.618 120.400 0.084 0.000 2.297 260 D HA -0.033 nan 4.640 nan 0.000 0.233 260 D C -0.779 175.423 176.300 -0.162 0.000 1.056 260 D CA 0.726 54.733 54.000 0.012 0.000 0.938 260 D CB 0.444 41.305 40.800 0.101 0.000 1.048 260 D HN -0.072 8.346 8.370 0.138 0.035 0.442 261 V N 1.214 120.949 119.914 -0.299 0.000 2.435 261 V HA 0.133 nan 4.120 nan 0.000 0.290 261 V C -0.906 175.009 176.094 -0.299 0.000 1.030 261 V CA -1.312 60.733 62.300 -0.425 0.000 0.881 261 V CB 1.607 32.969 31.823 -0.767 0.000 0.983 261 V HN -0.484 7.571 8.190 -0.224 0.000 0.445 262 D N 4.481 124.702 120.400 -0.299 0.000 2.399 262 D HA -0.054 nan 4.640 nan 0.000 0.241 262 D C 1.139 177.262 176.300 -0.296 0.000 1.133 262 D CA 0.289 54.142 54.000 -0.246 0.000 0.890 262 D CB 0.678 41.342 40.800 -0.227 0.000 1.201 262 D HN 0.003 8.180 8.370 -0.322 0.000 0.432 263 V N 0.201 119.985 119.914 -0.217 0.000 2.688 263 V HA -0.403 nan 4.120 nan 0.000 0.256 263 V C 1.612 177.473 176.094 -0.388 0.000 1.084 263 V CA 3.569 65.718 62.300 -0.253 0.000 1.103 263 V CB -1.035 30.693 31.823 -0.158 0.000 0.688 263 V HN 0.141 8.560 8.190 -0.156 -0.323 0.480 264 Q N -1.844 117.748 119.800 -0.346 0.000 2.331 264 Q HA -0.311 nan 4.340 nan 0.000 0.203 264 Q C 1.438 177.166 176.000 -0.453 0.000 0.944 264 Q CA 3.043 58.634 55.803 -0.353 0.000 0.892 264 Q CB -0.308 28.277 28.738 -0.254 0.000 0.983 264 Q HN 0.166 8.274 8.270 -0.294 -0.014 0.482 265 D N 1.224 121.268 120.400 -0.594 0.000 2.234 265 D HA -0.160 nan 4.640 nan 0.000 0.205 265 D C 2.122 177.634 176.300 -1.314 0.000 0.962 265 D CA 2.934 56.373 54.000 -0.935 0.000 0.855 265 D CB 0.181 40.356 40.800 -1.042 0.000 0.951 265 D HN -0.615 7.429 8.370 -0.535 0.006 0.500 266 M N -0.578 118.490 119.600 -0.887 0.000 2.117 266 M HA -0.290 nan 4.480 nan 0.000 0.262 266 M C 2.403 178.542 176.300 -0.268 0.000 1.065 266 M CA 3.078 58.148 55.300 -0.384 0.000 1.114 266 M CB -0.850 31.632 32.600 -0.196 0.000 1.361 266 M HN -0.596 7.242 8.290 -0.753 0.000 0.408 267 V N -0.532 119.120 119.914 -0.436 0.000 2.407 267 V HA -0.473 nan 4.120 nan 0.000 0.248 267 V C 2.192 178.161 176.094 -0.208 0.000 1.055 267 V CA 4.339 66.446 62.300 -0.321 0.000 1.049 267 V CB -1.359 30.257 31.823 -0.346 0.000 0.662 267 V HN -0.188 7.606 8.190 -0.518 0.086 0.455 268 R N -0.481 119.834 120.500 -0.309 0.000 2.073 268 R HA -0.358 nan 4.340 nan 0.000 0.234 268 R C 2.097 178.308 176.300 -0.147 0.000 1.134 268 R CA 3.799 59.742 56.100 -0.262 0.000 0.952 268 R CB -0.185 29.894 30.300 -0.368 0.000 0.850 268 R HN 0.153 7.987 8.270 -0.421 0.184 0.433 269 W N -2.180 119.012 121.300 -0.179 0.000 2.338 269 W HA -0.243 nan 4.660 nan 0.000 0.304 269 W C 2.386 178.847 176.519 -0.097 0.000 1.212 269 W CA 1.555 58.794 57.345 -0.177 0.000 1.264 269 W CB -0.982 28.434 29.460 -0.074 0.000 1.142 269 W HN 0.243 8.071 8.180 -0.402 0.111 0.512 270 R N -0.931 119.677 120.500 0.181 0.000 2.097 270 R HA -0.513 nan 4.340 nan 0.000 0.236 270 R C 1.977 178.302 176.300 0.041 0.000 1.135 270 R CA 4.025 60.194 56.100 0.115 0.000 0.934 270 R CB -0.186 30.204 30.300 0.151 0.000 0.846 270 R HN -0.164 8.218 8.270 0.187 0.000 0.431 271 E N -2.411 117.793 120.200 0.007 0.000 2.152 271 E HA -0.219 nan 4.350 nan 0.000 0.192 271 E C 2.938 179.537 176.600 -0.003 0.000 0.983 271 E CA 1.974 58.373 56.400 -0.003 0.000 0.818 271 E CB -0.878 28.814 29.700 -0.013 0.000 0.758 271 E HN -0.590 7.765 8.360 -0.008 0.000 0.467 272 R N -0.612 119.852 120.500 -0.060 0.000 2.103 272 R HA -0.311 nan 4.340 nan 0.000 0.242 272 R C 2.998 179.317 176.300 0.032 0.000 1.142 272 R CA 3.086 59.090 56.100 -0.160 0.000 0.960 272 R CB -0.130 29.736 30.300 -0.723 0.000 0.858 272 R HN 0.089 8.309 8.270 -0.084 0.000 0.439 273 I N -0.527 120.104 120.570 0.102 0.000 2.188 273 I HA -0.393 nan 4.170 nan 0.000 0.237 273 I C 1.662 177.806 176.117 0.044 0.000 1.073 273 I CA 3.684 65.111 61.300 0.211 0.000 1.359 273 I CB 0.243 38.300 38.000 0.094 0.000 1.083 273 I HN -0.152 7.983 8.210 0.048 0.104 0.412 274 L N -2.806 118.405 121.223 -0.021 0.000 2.291 274 L HA -0.355 nan 4.340 nan 0.000 0.214 274 L C 2.126 178.953 176.870 -0.072 0.000 1.120 274 L CA 2.405 57.197 54.840 -0.081 0.000 0.799 274 L CB -0.983 41.031 42.059 -0.076 0.000 0.925 274 L HN 0.123 8.352 8.230 -0.002 0.000 0.446 275 D N 0.467 120.852 120.400 -0.026 0.000 2.084 275 D HA -0.298 nan 4.640 nan 0.000 0.194 275 D C 1.487 177.738 176.300 -0.083 0.000 0.990 275 D CA 3.800 57.784 54.000 -0.027 0.000 0.826 275 D CB -0.148 40.665 40.800 0.023 0.000 0.971 275 D HN -0.174 8.178 8.370 0.003 0.020 0.453 276 A N -1.076 121.712 122.820 -0.053 0.000 2.076 276 A HA -0.207 nan 4.320 nan 0.000 0.220 276 A C 2.251 179.656 177.584 -0.298 0.000 1.160 276 A CA 2.679 54.612 52.037 -0.174 0.000 0.653 276 A CB -0.932 18.115 19.000 0.079 0.000 0.801 276 A HN -0.612 7.567 8.150 0.048 0.000 0.455 277 I N -2.349 118.060 120.570 -0.268 0.000 2.163 277 I HA -0.526 nan 4.170 nan 0.000 0.240 277 I C 1.178 177.030 176.117 -0.440 0.000 1.081 277 I CA 3.563 64.625 61.300 -0.397 0.000 1.353 277 I CB -0.569 37.227 38.000 -0.341 0.000 1.054 277 I HN -0.212 7.769 8.210 -0.188 0.117 0.407 278 N N -0.771 117.803 118.700 -0.211 0.000 2.104 278 N HA -0.217 nan 4.740 nan 0.000 0.190 278 N C 2.220 177.786 175.510 0.094 0.000 1.024 278 N CA 2.853 55.884 53.050 -0.032 0.000 0.853 278 N CB -0.335 38.141 38.487 -0.018 0.000 1.008 278 N HN -0.713 7.479 8.380 -0.174 0.084 0.424 279 M N -1.310 118.225 119.600 -0.107 0.000 2.460 279 M HA -0.270 nan 4.480 nan 0.000 0.263 279 M C -0.424 175.778 176.300 -0.164 0.000 1.071 279 M CA 2.761 57.930 55.300 -0.219 0.000 1.096 279 M CB 0.125 32.350 32.600 -0.626 0.000 1.408 279 M HN 0.224 8.404 8.290 -0.183 0.000 0.463 280 H N -7.298 111.614 119.070 -0.263 0.000 2.999 280 H HA -0.357 nan 4.556 nan 0.000 0.262 280 H C -1.490 173.865 175.328 0.045 0.000 1.240 280 H CA 1.431 57.444 56.048 -0.058 0.000 1.115 280 H CB -2.843 26.960 29.762 0.068 0.000 1.274 280 H HN -0.229 7.618 8.280 -0.314 0.244 0.358 281 Y N -6.413 113.923 120.300 0.061 0.000 2.744 281 Y HA 0.865 nan 4.550 nan 0.000 0.330 281 Y C -2.503 173.417 175.900 0.032 0.000 1.263 281 Y CA -2.241 55.892 58.100 0.055 0.000 1.065 281 Y CB 2.961 41.468 38.460 0.078 0.000 1.306 281 Y HN -0.141 7.894 8.280 -0.407 0.000 0.459 282 I N -4.375 116.428 120.570 0.388 0.000 2.647 282 I HA 0.528 nan 4.170 nan 0.000 0.295 282 I C -1.403 174.885 176.117 0.285 0.000 1.078 282 I CA -1.689 59.799 61.300 0.314 0.000 1.048 282 I CB 3.801 41.840 38.000 0.065 0.000 1.239 282 I HN 0.289 8.698 8.210 0.330 0.000 0.421 283 V N -1.619 118.492 119.914 0.328 0.000 2.348 283 V HA 0.397 nan 4.120 nan 0.000 0.270 283 V C -0.143 176.056 176.094 0.174 0.000 1.037 283 V CA -2.408 59.981 62.300 0.148 0.000 0.872 283 V CB -1.034 30.790 31.823 0.002 0.000 1.002 283 V HN -0.205 8.282 8.190 0.495 0.000 0.464 284 D N 7.926 128.387 120.400 0.102 0.000 2.384 284 D HA 0.167 nan 4.640 nan 0.000 0.244 284 D C 1.358 177.695 176.300 0.061 0.000 1.251 284 D CA -0.879 53.178 54.000 0.095 0.000 0.961 284 D CB 0.928 41.762 40.800 0.056 0.000 1.116 284 D HN -0.463 7.948 8.370 0.069 0.000 0.484 285 K N -0.262 120.173 120.400 0.059 0.000 2.589 285 K HA -0.288 nan 4.320 nan 0.000 0.195 285 K C 0.089 176.697 176.600 0.014 0.000 1.040 285 K CA 2.348 58.657 56.287 0.036 0.000 0.950 285 K CB -0.721 31.804 32.500 0.042 0.000 0.781 285 K HN 0.510 8.803 8.250 0.072 0.000 0.486 286 D N -5.496 114.908 120.400 0.006 0.000 2.379 286 D HA -0.008 nan 4.640 nan 0.000 0.208 286 D C -0.173 176.114 176.300 -0.022 0.000 1.065 286 D CA -0.674 53.322 54.000 -0.007 0.000 0.848 286 D CB -0.345 40.451 40.800 -0.006 0.000 0.949 286 D HN -0.530 7.775 8.370 0.013 0.073 0.509 287 N N -3.591 115.091 118.700 -0.030 0.000 2.994 287 N HA -0.414 nan 4.740 nan 0.000 0.221 287 N C -1.159 174.312 175.510 -0.065 0.000 0.900 287 N CA 1.517 54.533 53.050 -0.057 0.000 1.008 287 N CB -1.570 36.879 38.487 -0.063 0.000 1.053 287 N HN 0.414 8.664 8.380 -0.017 0.120 0.580 288 N N 1.897 120.567 118.700 -0.049 0.000 2.488 288 N HA 0.043 nan 4.740 nan 0.000 0.274 288 N C -0.940 174.524 175.510 -0.077 0.000 1.111 288 N CA 0.429 53.439 53.050 -0.066 0.000 0.974 288 N CB 1.028 39.488 38.487 -0.045 0.000 1.089 288 N HN -0.455 8.169 8.380 -0.030 -0.262 0.465 289 K N 2.686 122.994 120.400 -0.154 0.000 2.315 289 K HA 0.188 nan 4.320 nan 0.000 0.291 289 K C -0.246 176.304 176.600 -0.083 0.000 1.074 289 K CA -0.280 55.876 56.287 -0.218 0.000 0.936 289 K CB -0.546 31.599 32.500 -0.591 0.000 1.049 289 K HN 0.188 8.335 8.250 -0.172 0.000 0.471 290 I N 0.834 121.412 120.570 0.012 0.000 2.488 290 I HA 0.552 nan 4.170 nan 0.000 0.299 290 I C -2.040 174.142 176.117 0.108 0.000 0.984 290 I CA -3.328 57.996 61.300 0.041 0.000 1.250 290 I CB 1.010 39.029 38.000 0.031 0.000 1.389 290 I HN 0.363 8.595 8.210 0.037 0.000 0.488 291 P HA 0.098 nan 4.420 nan 0.000 0.271 291 P C -0.710 176.710 177.300 0.200 0.000 1.216 291 P CA -0.174 63.035 63.100 0.182 0.000 0.771 291 P CB 0.103 31.898 31.700 0.158 0.000 0.864 292 L N 5.612 126.973 121.223 0.230 0.000 2.391 292 L HA -0.050 nan 4.340 nan 0.000 0.249 292 L C -0.538 176.590 176.870 0.431 0.000 1.308 292 L CA -0.845 54.157 54.840 0.271 0.000 1.209 292 L CB -1.356 40.745 42.059 0.071 0.000 1.401 292 L HN 0.112 8.494 8.230 0.253 0.000 0.416 293 D N 3.097 123.692 120.400 0.324 0.000 2.354 293 D HA -0.097 nan 4.640 nan 0.000 0.238 293 D C 1.009 177.363 176.300 0.090 0.000 1.250 293 D CA 0.124 54.256 54.000 0.221 0.000 0.911 293 D CB 2.131 43.065 40.800 0.224 0.000 1.163 293 D HN -0.345 8.124 8.370 0.283 0.070 0.456 294 I N -0.440 119.973 120.570 -0.261 0.000 2.113 294 I HA -0.410 nan 4.170 nan 0.000 0.238 294 I C 1.072 176.836 176.117 -0.587 0.000 1.070 294 I CA 3.301 64.048 61.300 -0.922 0.000 1.332 294 I CB 0.105 37.676 38.000 -0.716 0.000 1.044 294 I HN 0.141 8.260 8.210 -0.150 0.000 0.402 295 E N -2.259 117.710 120.200 -0.385 0.000 2.001 295 E HA -0.305 nan 4.350 nan 0.000 0.193 295 E C 2.684 179.120 176.600 -0.273 0.000 0.994 295 E CA 2.838 59.004 56.400 -0.390 0.000 0.815 295 E CB 0.086 29.406 29.700 -0.634 0.000 0.770 295 E HN -0.600 7.680 8.360 -0.335 -0.120 0.453 296 H N -1.092 117.996 119.070 0.030 0.000 2.421 296 H HA -0.182 nan 4.556 nan 0.000 0.298 296 H C 2.562 177.972 175.328 0.138 0.000 1.087 296 H CA 2.697 58.788 56.048 0.071 0.000 1.330 296 H CB -0.351 29.447 29.762 0.061 0.000 1.388 296 H HN 0.082 8.449 8.280 -0.455 -0.361 0.526 297 G N -1.638 107.344 108.800 0.304 0.000 2.550 297 G HA2 -0.469 nan 3.960 nan 0.000 0.222 297 G HA3 -0.469 nan 3.960 nan 0.000 0.222 297 G C 0.771 175.903 174.900 0.387 0.000 1.113 297 G CA 2.489 47.858 45.100 0.450 0.000 0.748 297 G HN -0.212 8.191 8.290 0.249 0.036 0.585 298 T N 2.204 116.949 114.554 0.319 0.000 3.035 298 T HA -0.078 nan 4.350 nan 0.000 0.259 298 T C 1.764 176.602 174.700 0.231 0.000 1.078 298 T CA 3.775 66.041 62.100 0.276 0.000 1.132 298 T CB -0.301 68.672 68.868 0.175 0.000 0.900 298 T HN -0.713 7.631 8.240 0.250 0.046 0.480 299 D N 2.847 123.356 120.400 0.182 0.000 2.123 299 D HA -0.090 nan 4.640 nan 0.000 0.200 299 D C 1.306 177.698 176.300 0.154 0.000 0.976 299 D CA 2.920 57.014 54.000 0.157 0.000 0.831 299 D CB 0.007 40.884 40.800 0.129 0.000 0.974 299 D HN -0.115 8.360 8.370 0.174 0.000 0.469 300 I N -4.062 116.594 120.570 0.144 0.000 2.928 300 I HA -0.054 nan 4.170 nan 0.000 0.266 300 I C 1.613 177.746 176.117 0.028 0.000 1.234 300 I CA 2.678 64.029 61.300 0.084 0.000 1.483 300 I CB -0.015 38.030 38.000 0.075 0.000 1.097 300 I HN -0.399 7.914 8.210 0.172 0.000 0.455 301 L N 0.860 122.127 121.223 0.074 0.000 2.162 301 L HA 0.002 nan 4.340 nan 0.000 0.205 301 L C 1.376 178.342 176.870 0.161 0.000 1.086 301 L CA 2.123 56.961 54.840 -0.003 0.000 0.778 301 L CB -0.061 41.982 42.059 -0.026 0.000 0.928 301 L HN 0.212 8.433 8.230 0.151 0.100 0.446 302 G N -1.613 107.439 108.800 0.421 0.000 2.402 302 G HA2 -0.417 nan 3.960 nan 0.000 0.216 302 G HA3 -0.417 nan 3.960 nan 0.000 0.216 302 G C 0.745 175.812 174.900 0.278 0.000 1.162 302 G CA 2.493 47.961 45.100 0.614 0.000 0.777 302 G HN -0.054 8.357 8.290 0.374 0.104 0.539 303 D N 0.871 121.347 120.400 0.127 0.000 2.097 303 D HA -0.324 nan 4.640 nan 0.000 0.195 303 D C 2.136 178.426 176.300 -0.016 0.000 0.989 303 D CA 2.819 56.827 54.000 0.015 0.000 0.827 303 D CB -0.720 40.099 40.800 0.033 0.000 0.966 303 D HN 0.162 8.622 8.370 0.150 0.000 0.456 304 I N -0.325 120.238 120.570 -0.011 0.000 2.127 304 I HA -0.404 nan 4.170 nan 0.000 0.241 304 I C 1.643 177.745 176.117 -0.024 0.000 1.075 304 I CA 3.413 64.684 61.300 -0.048 0.000 1.334 304 I CB 0.084 37.967 38.000 -0.195 0.000 1.040 304 I HN -0.932 7.277 8.210 -0.002 0.000 0.405 305 I N -2.033 118.532 120.570 -0.008 0.000 2.394 305 I HA -0.361 nan 4.170 nan 0.000 0.251 305 I C 1.166 177.365 176.117 0.137 0.000 1.136 305 I CA 1.814 63.143 61.300 0.049 0.000 1.425 305 I CB -0.227 37.756 38.000 -0.029 0.000 1.079 305 I HN -0.156 8.047 8.210 -0.012 0.000 0.425 306 E N 0.081 120.289 120.200 0.015 0.000 2.023 306 E HA -0.287 nan 4.350 nan 0.000 0.196 306 E C -0.274 176.359 176.600 0.055 0.000 1.003 306 E CA 3.281 59.606 56.400 -0.126 0.000 0.809 306 E CB 0.228 29.516 29.700 -0.686 0.000 0.755 306 E HN -0.472 7.842 8.360 -0.037 0.024 0.449 307 S N -4.592 111.102 115.700 -0.010 0.000 2.687 307 S HA 0.289 nan 4.470 nan 0.000 0.283 307 S C -0.376 174.196 174.600 -0.047 0.000 1.170 307 S CA -1.117 57.063 58.200 -0.032 0.000 1.008 307 S CB 1.840 65.033 63.200 -0.012 0.000 1.026 307 S HN -0.561 7.732 8.310 -0.027 0.000 0.541 308 S N 0.338 116.017 115.700 -0.035 0.000 2.738 308 S HA 0.276 nan 4.470 nan 0.000 0.284 308 S C 1.270 175.881 174.600 0.020 0.000 1.146 308 S CA -0.313 57.885 58.200 -0.004 0.000 0.997 308 S CB 1.672 64.875 63.200 0.005 0.000 1.081 308 S HN 0.400 8.597 8.310 -0.032 0.094 0.553 309 D N 3.418 123.836 120.400 0.031 0.000 2.149 309 D HA -0.209 nan 4.640 nan 0.000 0.198 309 D C 1.024 177.341 176.300 0.028 0.000 0.990 309 D CA 3.149 57.164 54.000 0.025 0.000 0.839 309 D CB -0.081 40.723 40.800 0.006 0.000 0.948 309 D HN 0.547 8.939 8.370 0.037 0.000 0.460 310 E N -2.134 118.089 120.200 0.039 0.000 2.510 310 E HA -0.180 nan 4.350 nan 0.000 0.202 310 E C -0.392 176.230 176.600 0.036 0.000 1.072 310 E CA 0.805 57.230 56.400 0.042 0.000 0.883 310 E CB -0.377 29.357 29.700 0.058 0.000 0.818 310 E HN 0.176 8.567 8.360 0.051 0.000 0.548 311 S N -0.047 115.673 115.700 0.032 0.000 2.429 311 S HA -0.088 nan 4.470 nan 0.000 0.292 311 S C 0.069 174.708 174.600 0.066 0.000 1.183 311 S CA -0.137 58.086 58.200 0.039 0.000 1.088 311 S CB 0.002 63.224 63.200 0.037 0.000 1.018 311 S HN -0.637 7.481 8.310 0.029 0.210 0.511 312 K N 4.835 125.275 120.400 0.067 0.000 2.113 312 K HA -0.274 nan 4.320 nan 0.000 0.208 312 K C -0.616 176.071 176.600 0.144 0.000 1.047 312 K CA 2.475 58.814 56.287 0.086 0.000 0.928 312 K CB 0.139 32.681 32.500 0.070 0.000 0.716 312 K HN -0.137 8.139 8.250 0.043 0.000 0.446 313 N N -4.621 114.229 118.700 0.249 0.000 2.249 313 N HA 0.162 nan 4.740 nan 0.000 0.296 313 N C -0.286 175.360 175.510 0.228 0.000 1.051 313 N CA -1.058 52.150 53.050 0.263 0.000 0.815 313 N CB 2.306 40.983 38.487 0.318 0.000 1.487 313 N HN -0.462 8.088 8.380 0.283 0.000 0.475 314 V N -1.397 118.580 119.914 0.106 0.000 2.581 314 V HA 0.300 nan 4.120 nan 0.000 0.240 314 V C 1.186 177.250 176.094 -0.050 0.000 1.054 314 V CA 1.815 64.132 62.300 0.029 0.000 1.076 314 V CB 0.577 32.426 31.823 0.044 0.000 0.748 314 V HN 0.418 8.669 8.190 0.101 0.000 0.474 315 E N 1.397 121.611 120.200 0.025 0.000 2.107 315 E HA -0.378 nan 4.350 nan 0.000 0.191 315 E C 1.415 178.058 176.600 0.073 0.000 0.982 315 E CA 2.813 59.256 56.400 0.072 0.000 0.809 315 E CB -0.319 29.457 29.700 0.126 0.000 0.756 315 E HN -0.317 8.222 8.360 0.063 -0.141 0.459 316 Y N 0.206 120.422 120.300 -0.139 0.000 2.206 316 Y HA -0.329 nan 4.550 nan 0.000 0.292 316 Y C 2.219 177.827 175.900 -0.486 0.000 1.123 316 Y CA 4.291 62.224 58.100 -0.278 0.000 1.142 316 Y CB 0.685 38.877 38.460 -0.448 0.000 1.006 316 Y HN -0.380 8.222 8.280 0.090 -0.268 0.518 317 Y N -4.247 115.912 120.300 -0.235 0.000 2.462 317 Y HA -0.058 nan 4.550 nan 0.000 0.261 317 Y C -0.167 175.294 175.900 -0.732 0.000 1.146 317 Y CA 0.468 58.359 58.100 -0.349 0.000 1.283 317 Y CB 0.398 38.775 38.460 -0.138 0.000 1.090 317 Y HN -0.383 7.770 8.280 -0.211 0.000 0.526 318 G N -1.034 107.082 108.800 -1.141 0.000 2.553 318 G HA2 -0.422 nan 3.960 nan 0.000 0.242 318 G HA3 -0.422 nan 3.960 nan 0.000 0.242 318 G C -1.898 172.708 174.900 -0.489 0.000 1.277 318 G CA 0.039 44.131 45.100 -1.681 0.000 0.910 318 G HN -0.391 7.280 8.290 -0.819 0.127 0.576 319 S N 0.520 116.143 115.700 -0.129 0.000 2.327 319 S HA 0.227 nan 4.470 nan 0.000 0.203 319 S C 0.313 175.072 174.600 0.265 0.000 1.326 319 S CA -1.333 56.915 58.200 0.080 0.000 1.248 319 S CB 0.086 63.242 63.200 -0.073 0.000 1.199 319 S HN 0.073 8.342 8.310 -0.068 0.000 0.422 320 L N 6.180 127.583 121.223 0.299 0.000 2.081 320 L HA -0.422 nan 4.340 nan 0.000 0.212 320 L C 0.403 177.654 176.870 0.636 0.000 1.080 320 L CA 3.330 58.494 54.840 0.541 0.000 0.754 320 L CB -0.316 42.027 42.059 0.474 0.000 0.893 320 L HN 0.282 8.616 8.230 0.173 0.000 0.433 321 H N -0.373 118.962 119.070 0.442 0.000 2.253 321 H HA -0.438 nan 4.556 nan 0.000 0.296 321 H C 2.053 177.476 175.328 0.158 0.000 1.074 321 H CA 4.513 60.851 56.048 0.484 0.000 1.263 321 H CB -0.210 29.796 29.762 0.407 0.000 1.363 321 H HN 0.003 8.552 8.280 0.479 0.019 0.489 322 N N -0.276 118.162 118.700 -0.436 0.000 2.084 322 N HA -0.339 nan 4.740 nan 0.000 0.190 322 N C 2.168 177.257 175.510 -0.702 0.000 1.030 322 N CA 2.647 55.189 53.050 -0.846 0.000 0.849 322 N CB -0.642 37.513 38.487 -0.553 0.000 1.012 322 N HN -0.412 7.964 8.380 -0.006 0.000 0.423 323 W N -0.945 120.226 121.300 -0.215 0.000 2.335 323 W HA -0.304 nan 4.660 nan 0.000 0.311 323 W C 1.896 178.275 176.519 -0.234 0.000 1.213 323 W CA 3.020 60.308 57.345 -0.095 0.000 1.274 323 W CB -0.093 29.467 29.460 0.167 0.000 1.148 323 W HN 0.343 8.475 8.180 -0.081 0.000 0.498 324 G N -3.420 105.253 108.800 -0.211 0.000 2.469 324 G HA2 -0.460 nan 3.960 nan 0.000 0.220 324 G HA3 -0.460 nan 3.960 nan 0.000 0.220 324 G C 1.154 175.516 174.900 -0.896 0.000 1.136 324 G CA 2.133 46.661 45.100 -0.953 0.000 0.759 324 G HN 0.197 8.492 8.290 0.008 0.000 0.562 325 H N 1.681 120.206 119.070 -0.908 0.000 2.353 325 H HA -0.300 nan 4.556 nan 0.000 0.300 325 H C 2.406 177.504 175.328 -0.383 0.000 1.090 325 H CA 3.612 59.238 56.048 -0.704 0.000 1.327 325 H CB 0.273 29.400 29.762 -1.058 0.000 1.383 325 H HN -0.472 7.265 8.280 -0.673 0.138 0.508 326 V N -1.461 118.360 119.914 -0.155 0.000 2.220 326 V HA -0.489 nan 4.120 nan 0.000 0.246 326 V C 2.060 178.179 176.094 0.041 0.000 1.049 326 V CA 3.833 66.160 62.300 0.046 0.000 1.003 326 V CB -0.855 31.081 31.823 0.188 0.000 0.634 326 V HN -0.357 7.593 8.190 -0.238 0.098 0.444 327 M N -2.595 117.028 119.600 0.038 0.000 2.144 327 M HA -0.419 nan 4.480 nan 0.000 0.260 327 M C 2.259 178.551 176.300 -0.013 0.000 1.067 327 M CA 3.507 58.835 55.300 0.048 0.000 1.095 327 M CB -0.294 32.357 32.600 0.085 0.000 1.365 327 M HN -0.778 7.555 8.290 0.070 0.000 0.406 328 M N -3.048 116.457 119.600 -0.159 0.000 2.562 328 M HA -0.121 nan 4.480 nan 0.000 0.257 328 M C 0.734 176.988 176.300 -0.076 0.000 1.099 328 M CA 2.394 57.582 55.300 -0.187 0.000 1.099 328 M CB 0.284 32.645 32.600 -0.398 0.000 1.427 328 M HN -0.040 8.095 8.290 -0.258 0.000 0.489 329 A N -1.575 121.231 122.820 -0.023 0.000 2.070 329 A HA 0.121 nan 4.320 nan 0.000 0.202 329 A C 0.237 177.874 177.584 0.088 0.000 1.277 329 A CA 1.889 53.953 52.037 0.044 0.000 0.872 329 A CB 0.833 19.881 19.000 0.081 0.000 0.933 329 A HN 0.105 8.054 8.150 -0.027 0.185 0.475 330 N N -1.285 117.467 118.700 0.086 0.000 2.346 330 N HA -0.059 nan 4.740 nan 0.000 0.225 330 N C 1.397 176.984 175.510 0.129 0.000 1.144 330 N CA -0.392 52.722 53.050 0.106 0.000 0.837 330 N CB -0.962 37.573 38.487 0.080 0.000 1.069 330 N HN 0.290 8.714 8.380 0.072 0.000 0.487 331 I N -1.495 119.165 120.570 0.149 0.000 2.850 331 I HA -0.238 nan 4.170 nan 0.000 0.266 331 I C 0.239 176.532 176.117 0.293 0.000 1.257 331 I CA 1.698 63.133 61.300 0.226 0.000 1.465 331 I CB -0.130 38.011 38.000 0.235 0.000 1.091 331 I HN -0.174 7.984 8.210 0.123 0.126 0.467 332 T N -0.603 114.101 114.554 0.250 0.000 3.009 332 T HA -0.057 nan 4.350 nan 0.000 0.258 332 T C -1.112 173.692 174.700 0.174 0.000 1.063 332 T CA 1.398 63.655 62.100 0.263 0.000 1.139 332 T CB 0.720 69.735 68.868 0.244 0.000 0.890 332 T HN 0.009 8.319 8.240 0.211 0.057 0.471 333 D N -1.471 119.021 120.400 0.153 0.000 3.117 333 D HA 0.419 nan 4.640 nan 0.000 0.241 333 D C -2.174 174.210 176.300 0.139 0.000 1.385 333 D CA -1.352 52.748 54.000 0.167 0.000 0.855 333 D CB 0.599 41.599 40.800 0.334 0.000 1.498 333 D HN -0.287 7.982 8.370 0.132 0.181 0.584 334 P HA -0.138 nan 4.420 nan 0.000 0.217 334 P C 0.801 178.141 177.300 0.066 0.000 1.154 334 P CA 1.767 64.910 63.100 0.073 0.000 0.841 334 P CB 0.104 31.851 31.700 0.078 0.000 0.788 335 D N -1.886 118.520 120.400 0.010 0.000 2.158 335 D HA -0.261 nan 4.640 nan 0.000 0.197 335 D C 0.499 176.801 176.300 0.003 0.000 0.995 335 D CA 2.062 56.045 54.000 -0.028 0.000 0.846 335 D CB -0.127 40.604 40.800 -0.115 0.000 0.941 335 D HN 0.164 8.520 8.370 -0.023 0.000 0.456 336 H N -4.496 114.495 119.070 -0.130 0.000 3.109 336 H HA -0.289 nan 4.556 nan 0.000 0.245 336 H C -0.200 175.056 175.328 -0.120 0.000 1.187 336 H CA 0.710 56.701 56.048 -0.094 0.000 1.136 336 H CB -1.178 28.549 29.762 -0.058 0.000 1.243 336 H HN -0.403 8.037 8.280 0.011 -0.153 0.328 337 R N -2.816 117.488 120.500 -0.327 0.000 2.153 337 R HA -0.334 nan 4.340 nan 0.000 0.252 337 R C 0.708 176.841 176.300 -0.279 0.000 1.158 337 R CA 2.742 58.626 56.100 -0.359 0.000 0.975 337 R CB -0.717 29.278 30.300 -0.509 0.000 0.871 337 R HN -0.222 7.927 8.270 -0.303 -0.060 0.450 338 F N -1.670 118.153 119.950 -0.213 0.000 2.335 338 F HA 0.026 nan 4.527 nan 0.000 0.296 338 F C -0.012 175.655 175.800 -0.221 0.000 1.091 338 F CA -0.144 57.753 58.000 -0.171 0.000 1.399 338 F CB 0.120 39.055 39.000 -0.108 0.000 1.067 338 F HN -0.618 7.519 8.300 -0.409 -0.083 0.520 339 Q N -6.949 112.686 119.800 -0.276 0.000 2.464 339 Q HA -0.404 nan 4.340 nan 0.000 0.246 339 Q C -0.760 175.236 176.000 -0.007 0.000 0.763 339 Q CA 0.782 56.377 55.803 -0.346 0.000 1.233 339 Q CB -2.119 26.543 28.738 -0.127 0.000 1.361 339 Q HN -0.210 7.889 8.270 -0.506 -0.134 0.699 340 E N 0.834 121.090 120.200 0.093 0.000 2.465 340 E HA -0.197 nan 4.350 nan 0.000 0.260 340 E C -0.486 176.228 176.600 0.190 0.000 0.980 340 E CA 0.663 57.144 56.400 0.136 0.000 0.927 340 E CB 0.500 30.287 29.700 0.146 0.000 0.934 340 E HN -0.435 7.948 8.360 0.089 0.030 0.459 341 N N 6.241 124.983 118.700 0.070 0.000 2.434 341 N HA 0.132 nan 4.740 nan 0.000 0.268 341 N C -1.979 173.552 175.510 0.035 0.000 1.256 341 N CA -1.329 51.714 53.050 -0.012 0.000 0.914 341 N CB -0.770 37.598 38.487 -0.198 0.000 1.088 341 N HN 0.239 8.637 8.380 0.030 0.000 0.478 342 P HA -0.084 nan 4.420 nan 0.000 0.271 342 P C -0.228 177.202 177.300 0.218 0.000 1.238 342 P CA -0.207 62.970 63.100 0.129 0.000 0.794 342 P CB 0.695 32.450 31.700 0.092 0.000 0.959 343 G N -1.303 107.605 108.800 0.180 0.000 2.432 343 G HA2 -0.046 nan 3.960 nan 0.000 0.239 343 G HA3 -0.046 nan 3.960 nan 0.000 0.239 343 G C 1.281 176.286 174.900 0.175 0.000 1.291 343 G CA -0.644 44.558 45.100 0.170 0.000 0.863 343 G HN 0.063 8.440 8.290 0.145 0.000 0.560 344 V N -1.640 118.328 119.914 0.091 0.000 3.099 344 V HA -0.459 nan 4.120 nan 0.000 0.269 344 V C 1.150 177.256 176.094 0.021 0.000 1.150 344 V CA 2.000 64.268 62.300 -0.053 0.000 1.165 344 V CB -0.784 30.902 31.823 -0.229 0.000 0.756 344 V HN 0.567 8.803 8.190 0.078 0.000 0.527 345 M N 0.079 119.736 119.600 0.094 0.000 2.562 345 M HA -0.159 nan 4.480 nan 0.000 0.257 345 M C 1.535 178.095 176.300 0.434 0.000 1.099 345 M CA 1.108 56.530 55.300 0.204 0.000 1.099 345 M CB -1.019 31.603 32.600 0.036 0.000 1.427 345 M HN -0.274 7.965 8.290 0.085 0.102 0.489 346 S N -0.078 115.813 115.700 0.319 0.000 2.481 346 S HA -0.218 nan 4.470 nan 0.000 0.231 346 S C -0.816 173.837 174.600 0.087 0.000 0.996 346 S CA 3.128 61.529 58.200 0.337 0.000 0.942 346 S CB -0.043 63.252 63.200 0.158 0.000 0.768 346 S HN -0.310 8.073 8.310 0.223 0.061 0.520 347 D N -2.974 117.504 120.400 0.130 0.000 2.490 347 D HA 0.230 nan 4.640 nan 0.000 0.232 347 D C -0.323 176.113 176.300 0.227 0.000 1.053 347 D CA -1.488 52.547 54.000 0.059 0.000 0.914 347 D CB 3.089 43.954 40.800 0.108 0.000 1.431 347 D HN -0.907 7.526 8.370 0.206 0.060 0.483 348 T N 1.236 115.976 114.554 0.309 0.000 3.014 348 T HA 0.070 nan 4.350 nan 0.000 0.263 348 T C 1.618 176.614 174.700 0.494 0.000 1.078 348 T CA 2.466 64.882 62.100 0.526 0.000 1.135 348 T CB -0.203 68.959 68.868 0.489 0.000 0.895 348 T HN 0.238 8.655 8.240 0.294 0.000 0.480 349 S N 0.991 116.918 115.700 0.378 0.000 2.406 349 S HA -0.133 nan 4.470 nan 0.000 0.228 349 S C 1.293 175.726 174.600 -0.278 0.000 1.020 349 S CA 3.134 61.379 58.200 0.075 0.000 0.965 349 S CB -0.069 63.112 63.200 -0.032 0.000 0.798 349 S HN -0.368 8.644 8.310 0.482 -0.412 0.488 350 T N -1.584 112.825 114.554 -0.243 0.000 2.939 350 T HA 0.222 nan 4.350 nan 0.000 0.254 350 T C 2.212 176.684 174.700 -0.379 0.000 1.041 350 T CA 2.334 64.210 62.100 -0.373 0.000 1.142 350 T CB 0.048 68.672 68.868 -0.406 0.000 0.874 350 T HN -0.367 8.078 8.240 -0.099 -0.264 0.452 351 S N 4.121 119.645 115.700 -0.293 0.000 2.570 351 S HA -0.478 nan 4.470 nan 0.000 0.300 351 S C 1.464 175.451 174.600 -1.020 0.000 1.224 351 S CA 3.165 61.095 58.200 -0.450 0.000 1.103 351 S CB -1.262 61.848 63.200 -0.150 0.000 1.009 351 S HN -0.017 8.216 8.310 -0.129 0.000 0.458 352 L N -1.067 119.497 121.223 -1.097 0.000 2.567 352 L HA 0.076 nan 4.340 nan 0.000 0.225 352 L C 0.730 177.242 176.870 -0.595 0.000 1.119 352 L CA 0.971 55.069 54.840 -1.236 0.000 0.871 352 L CB -0.185 41.300 42.059 -0.956 0.000 1.036 352 L HN -0.650 7.051 8.230 -0.802 0.048 0.459 353 R N -2.119 118.110 120.500 -0.452 0.000 2.062 353 R HA -0.211 nan 4.340 nan 0.000 0.229 353 R C 0.144 176.095 176.300 -0.581 0.000 1.128 353 R CA 1.835 57.751 56.100 -0.306 0.000 0.960 353 R CB -0.228 30.019 30.300 -0.088 0.000 0.855 353 R HN -0.897 7.039 8.270 -0.479 0.047 0.432 354 D N 1.118 121.144 120.400 -0.624 0.000 2.382 354 D HA 0.207 nan 4.640 nan 0.000 0.259 354 D C -0.769 175.311 176.300 -0.367 0.000 1.224 354 D CA -2.567 51.001 54.000 -0.719 0.000 0.894 354 D CB 0.340 40.978 40.800 -0.270 0.000 1.127 354 D HN -0.553 7.551 8.370 -0.443 0.000 0.487 355 P HA -0.187 nan 4.420 nan 0.000 0.217 355 P C 0.778 178.145 177.300 0.112 0.000 1.148 355 P CA 2.200 65.309 63.100 0.014 0.000 0.828 355 P CB -0.010 31.697 31.700 0.012 0.000 0.783 356 I N -5.317 115.261 120.570 0.013 0.000 2.567 356 I HA -0.405 nan 4.170 nan 0.000 0.257 356 I C 1.007 177.113 176.117 -0.019 0.000 1.184 356 I CA 2.325 63.632 61.300 0.012 0.000 1.451 356 I CB -0.744 37.224 38.000 -0.055 0.000 1.089 356 I HN -0.859 7.301 8.210 -0.047 0.022 0.441 357 F N 2.240 122.009 119.950 -0.302 0.000 2.085 357 F HA -0.592 nan 4.527 nan 0.000 0.299 357 F C 0.645 176.073 175.800 -0.619 0.000 1.096 357 F CA 4.571 62.230 58.000 -0.569 0.000 1.227 357 F CB 0.035 38.499 39.000 -0.892 0.000 0.983 357 F HN -0.375 7.781 8.300 -0.027 0.127 0.482 358 Y N -5.284 114.911 120.300 -0.175 0.000 2.395 358 Y HA -0.343 nan 4.550 nan 0.000 0.293 358 Y C 1.896 177.812 175.900 0.028 0.000 1.123 358 Y CA 3.047 61.051 58.100 -0.160 0.000 1.227 358 Y CB -0.634 37.735 38.460 -0.152 0.000 1.012 358 Y HN -0.685 7.511 8.280 -0.115 0.015 0.552 359 R N 0.840 121.456 120.500 0.193 0.000 2.073 359 R HA -0.394 nan 4.340 nan 0.000 0.234 359 R C 2.173 178.620 176.300 0.246 0.000 1.134 359 R CA 3.635 59.866 56.100 0.219 0.000 0.952 359 R CB -0.399 30.026 30.300 0.208 0.000 0.850 359 R HN -0.367 7.847 8.270 0.152 0.147 0.433 360 W N -1.573 119.759 121.300 0.052 0.000 2.425 360 W HA -0.204 nan 4.660 nan 0.000 0.277 360 W C 0.776 177.452 176.519 0.262 0.000 1.231 360 W CA 3.642 61.073 57.345 0.143 0.000 1.248 360 W CB 0.216 29.655 29.460 -0.035 0.000 1.117 360 W HN -0.264 8.057 8.180 0.235 0.000 0.568 361 H N -1.759 117.306 119.070 -0.008 0.000 2.525 361 H HA 0.038 nan 4.556 nan 0.000 0.275 361 H C 2.890 178.239 175.328 0.033 0.000 0.984 361 H CA 2.862 58.888 56.048 -0.037 0.000 1.264 361 H CB 0.097 29.742 29.762 -0.196 0.000 1.432 361 H HN -0.582 7.687 8.280 0.302 0.192 0.549 362 R N -0.016 120.605 120.500 0.202 0.000 2.119 362 R HA -0.187 nan 4.340 nan 0.000 0.222 362 R C 1.689 178.062 176.300 0.122 0.000 1.088 362 R CA 1.857 58.058 56.100 0.168 0.000 0.984 362 R CB -0.882 29.526 30.300 0.180 0.000 0.884 362 R HN 0.266 8.670 8.270 0.224 0.000 0.447 363 F N 1.891 121.765 119.950 -0.127 0.000 2.051 363 F HA -0.297 nan 4.527 nan 0.000 0.296 363 F C 1.581 177.200 175.800 -0.301 0.000 1.122 363 F CA 2.731 60.560 58.000 -0.284 0.000 1.201 363 F CB -0.192 38.466 39.000 -0.570 0.000 0.978 363 F HN -0.792 7.466 8.300 0.151 0.133 0.472 364 I N -4.735 115.531 120.570 -0.507 0.000 2.208 364 I HA -0.614 nan 4.170 nan 0.000 0.245 364 I C 1.313 177.356 176.117 -0.123 0.000 1.097 364 I CA 3.694 64.727 61.300 -0.444 0.000 1.363 364 I CB -0.740 37.151 38.000 -0.183 0.000 1.051 364 I HN -0.077 7.862 8.210 -0.452 0.000 0.413 365 D N 0.211 120.673 120.400 0.103 0.000 2.149 365 D HA -0.381 nan 4.640 nan 0.000 0.198 365 D C 2.065 178.439 176.300 0.124 0.000 0.990 365 D CA 3.715 57.888 54.000 0.289 0.000 0.839 365 D CB -0.145 40.804 40.800 0.249 0.000 0.948 365 D HN -0.427 7.973 8.370 0.050 0.000 0.460 366 N N -0.954 117.738 118.700 -0.013 0.000 2.166 366 N HA -0.250 nan 4.740 nan 0.000 0.186 366 N C 2.598 178.016 175.510 -0.154 0.000 1.019 366 N CA 3.177 56.200 53.050 -0.045 0.000 0.856 366 N CB -0.116 38.376 38.487 0.009 0.000 0.993 366 N HN 0.060 8.184 8.380 -0.045 0.229 0.426 367 I N 0.354 120.726 120.570 -0.329 0.000 2.163 367 I HA -0.521 nan 4.170 nan 0.000 0.240 367 I C 1.633 177.534 176.117 -0.361 0.000 1.081 367 I CA 4.229 65.279 61.300 -0.418 0.000 1.353 367 I CB -0.170 37.449 38.000 -0.636 0.000 1.054 367 I HN -0.567 7.286 8.210 -0.414 0.108 0.407 368 F N -1.224 118.553 119.950 -0.288 0.000 2.161 368 F HA -0.456 nan 4.527 nan 0.000 0.300 368 F C 2.291 177.837 175.800 -0.424 0.000 1.089 368 F CA 4.071 61.813 58.000 -0.430 0.000 1.282 368 F CB -0.985 37.566 39.000 -0.748 0.000 1.010 368 F HN -0.357 7.738 8.300 -0.343 0.000 0.485 369 Q N -2.253 117.493 119.800 -0.089 0.000 2.124 369 Q HA -0.357 nan 4.340 nan 0.000 0.202 369 Q C 2.880 178.801 176.000 -0.132 0.000 0.977 369 Q CA 3.188 58.944 55.803 -0.079 0.000 0.850 369 Q CB -0.826 27.911 28.738 -0.001 0.000 0.901 369 Q HN 0.632 8.768 8.270 -0.021 0.122 0.429 370 E N -0.035 120.077 120.200 -0.147 0.000 2.110 370 E HA -0.391 nan 4.350 nan 0.000 0.193 370 E C 2.324 178.786 176.600 -0.231 0.000 0.988 370 E CA 3.018 59.318 56.400 -0.166 0.000 0.804 370 E CB -0.283 29.321 29.700 -0.160 0.000 0.745 370 E HN -0.176 8.005 8.360 -0.146 0.092 0.458 371 H N 0.518 119.352 119.070 -0.395 0.000 2.357 371 H HA -0.168 nan 4.556 nan 0.000 0.301 371 H C 2.436 177.171 175.328 -0.988 0.000 1.082 371 H CA 2.714 58.407 56.048 -0.591 0.000 1.342 371 H CB 0.066 29.556 29.762 -0.453 0.000 1.389 371 H HN -0.528 7.550 8.280 -0.171 0.100 0.511 372 K N -1.991 117.985 120.400 -0.707 0.000 2.097 372 K HA -0.315 nan 4.320 nan 0.000 0.206 372 K C 2.524 178.890 176.600 -0.390 0.000 1.049 372 K CA 2.067 58.040 56.287 -0.523 0.000 0.933 372 K CB -0.536 31.869 32.500 -0.159 0.000 0.717 372 K HN -0.074 7.925 8.250 -0.419 0.000 0.442 373 K N -1.728 118.491 120.400 -0.302 0.000 2.097 373 K HA -0.181 nan 4.320 nan 0.000 0.206 373 K C 2.326 178.786 176.600 -0.234 0.000 1.049 373 K CA 2.419 58.583 56.287 -0.206 0.000 0.933 373 K CB 0.196 32.608 32.500 -0.147 0.000 0.717 373 K HN -0.111 7.778 8.250 -0.286 0.190 0.442 374 S N -2.207 113.308 115.700 -0.309 0.000 2.453 374 S HA -0.144 nan 4.470 nan 0.000 0.231 374 S C 0.607 175.079 174.600 -0.213 0.000 1.005 374 S CA 2.003 60.073 58.200 -0.216 0.000 0.949 374 S CB 0.465 63.614 63.200 -0.084 0.000 0.774 374 S HN -0.378 7.703 8.310 -0.380 0.000 0.510 375 F N 2.832 122.640 119.950 -0.237 0.000 2.496 375 F HA -0.019 nan 4.527 nan 0.000 0.344 375 F C -0.058 175.539 175.800 -0.339 0.000 1.155 375 F CA -0.131 57.715 58.000 -0.256 0.000 1.302 375 F CB -0.071 38.805 39.000 -0.207 0.000 1.159 375 F HN -0.819 6.986 8.300 -0.693 0.079 0.595 376 H N 1.131 120.245 119.070 0.074 0.000 2.511 376 H HA 0.148 nan 4.556 nan 0.000 0.346 376 H C -1.434 173.795 175.328 -0.164 0.000 1.128 376 H CA -0.997 55.032 56.048 -0.032 0.000 1.342 376 H CB -0.062 29.686 29.762 -0.023 0.000 1.470 376 H HN 0.238 8.633 8.280 0.191 0.000 0.546 377 P HA -0.166 nan 4.420 nan 0.000 0.271 377 P C -1.227 175.971 177.300 -0.171 0.000 1.228 377 P CA 0.677 63.711 63.100 -0.110 0.000 0.797 377 P CB 0.424 32.147 31.700 0.037 0.000 0.914 378 Y N -0.598 119.785 120.300 0.137 0.000 2.327 378 Y HA -0.018 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 0.361 58.515 58.100 0.090 0.000 1.165 378 Y CB 0.339 38.827 38.460 0.046 0.000 1.181 378 Y HN 0.240 8.616 8.280 0.160 0.000 0.494 379 T N 4.905 119.590 114.554 0.219 0.000 2.932 379 T HA 0.050 nan 4.350 nan 0.000 0.312 379 T C 1.090 175.826 174.700 0.061 0.000 1.071 379 T CA -0.031 62.135 62.100 0.110 0.000 1.128 379 T CB 0.538 69.457 68.868 0.084 0.000 0.984 379 T HN 0.321 8.710 8.240 0.249 0.000 0.549 380 K N 3.899 124.307 120.400 0.013 0.000 2.103 380 K HA -0.465 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 3.879 60.144 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 8.707 8.250 0.025 0.000 0.444 381 E N -0.223 119.980 120.200 0.006 0.000 2.035 381 E HA -0.303 nan 4.350 nan 0.000 0.204 381 E C 2.252 178.863 176.600 0.019 0.000 1.025 381 E CA 3.256 59.664 56.400 0.014 0.000 0.835 381 E CB -0.501 29.212 29.700 0.022 0.000 0.764 381 E HN 0.095 8.460 8.360 0.013 0.003 0.457 382 E N -1.396 118.828 120.200 0.040 0.000 2.085 382 E HA -0.265 nan 4.350 nan 0.000 0.194 382 E C 1.113 177.717 176.600 0.007 0.000 0.994 382 E CA 2.259 58.690 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 0.057 0.000 0.453 383 L N -4.858 116.329 121.223 -0.061 0.000 2.465 383 L HA -0.113 nan 4.340 nan 0.000 0.224 383 L C 0.004 176.818 176.870 -0.093 0.000 1.145 383 L CA 0.861 55.595 54.840 -0.176 0.000 0.834 383 L CB 0.249 42.105 42.059 -0.338 0.000 0.944 383 L HN -0.389 7.726 8.230 -0.039 0.092 0.451 384 S N -1.072 114.617 115.700 -0.019 0.000 2.420 384 S HA 0.092 nan 4.470 nan 0.000 0.313 384 S C -1.437 173.245 174.600 0.136 0.000 1.079 384 S CA -0.252 57.972 58.200 0.039 0.000 1.104 384 S CB 0.462 63.670 63.200 0.014 0.000 0.969 384 S HN -0.490 7.626 8.310 -0.013 0.186 0.471 385 F N 8.627 128.560 119.950 -0.028 0.000 2.487 385 F HA 0.184 nan 4.527 nan 0.000 0.364 385 F C -2.000 173.795 175.800 -0.008 0.000 1.126 385 F CA -3.334 54.660 58.000 -0.010 0.000 1.135 385 F CB 0.293 39.292 39.000 -0.001 0.000 1.127 385 F HN 0.238 8.977 8.300 0.240 -0.295 0.559 386 P HA 0.027 nan 4.420 nan 0.000 0.267 386 P C -0.427 176.744 177.300 -0.215 0.000 1.205 386 P CA 0.462 63.515 63.100 -0.078 0.000 0.765 386 P CB 0.123 31.801 31.700 -0.037 0.000 0.828 387 G N 2.195 110.901 108.800 -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 0.383 45.386 45.100 -0.161 0.000 0.625 387 G HN 0.366 8.596 8.290 -0.100 0.000 0.511 388 V N 2.889 122.626 119.914 -0.294 0.000 2.455 388 V HA 0.007 nan 4.120 nan 0.000 0.273 388 V C -1.059 174.992 176.094 -0.072 0.000 1.045 388 V CA -0.150 62.019 62.300 -0.219 0.000 0.976 388 V CB -0.213 31.373 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 8.042 128.226 120.200 -0.027 0.000 2.129 389 E HA 0.251 nan 4.350 nan 0.000 0.268 389 E C -0.251 176.371 176.600 0.037 0.000 0.900 389 E CA -1.700 54.706 56.400 0.010 0.000 0.755 389 E CB 2.803 32.505 29.700 0.003 0.000 1.117 389 E HN 0.237 8.448 8.360 -0.034 0.128 0.410 390 V N 9.062 129.013 119.914 0.062 0.000 2.415 390 V HA -0.166 nan 4.120 nan 0.000 0.252 390 V C 0.066 176.197 176.094 0.061 0.000 1.043 390 V CA 1.707 64.053 62.300 0.075 0.000 1.149 390 V CB -1.859 30.024 31.823 0.101 0.000 1.143 390 V HN 0.750 8.981 8.190 0.068 0.000 0.478 391 V N 7.436 127.382 119.914 0.052 0.000 3.305 391 V HA -0.050 nan 4.120 nan 0.000 0.269 391 V C 0.312 176.435 176.094 0.049 0.000 1.157 391 V CA 0.608 62.934 62.300 0.043 0.000 1.157 391 V CB -0.396 31.448 31.823 0.035 0.000 0.772 391 V HN 0.549 8.674 8.190 0.053 0.096 0.498 392 G N -3.391 105.447 108.800 0.063 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 -3.097 171.858 174.900 0.092 0.000 1.367 392 G CA 0.168 45.310 45.100 0.070 0.000 0.951 392 G HN -0.701 7.603 8.290 0.070 0.027 0.615 393 V N -1.983 117.996 119.914 0.107 0.000 3.160 393 V HA 0.779 nan 4.120 nan 0.000 0.310 393 V C -1.420 174.747 176.094 0.122 0.000 1.181 393 V CA -2.243 60.144 62.300 0.143 0.000 1.047 393 V CB 3.537 35.488 31.823 0.212 0.000 1.068 393 V HN 0.200 8.447 8.190 0.095 0.000 0.441 394 S N -1.034 114.742 115.700 0.127 0.000 2.552 394 S HA 0.516 nan 4.470 nan 0.000 0.272 394 S C -2.197 172.455 174.600 0.086 0.000 1.150 394 S CA -0.423 57.834 58.200 0.095 0.000 0.849 394 S CB 4.086 67.324 63.200 0.063 0.000 1.113 394 S HN -0.148 8.249 8.310 0.145 0.000 0.458 395 I N -1.994 118.621 120.570 0.075 0.000 2.404 395 I HA 0.624 nan 4.170 nan 0.000 0.293 395 I C -2.048 174.103 176.117 0.058 0.000 0.992 395 I CA -2.050 59.290 61.300 0.068 0.000 1.149 395 I CB 1.671 39.766 38.000 0.158 0.000 1.315 395 I HN 0.669 9.266 8.210 0.071 -0.344 0.446 396 N N 7.068 125.796 118.700 0.047 0.000 2.558 396 N HA 0.366 nan 4.740 nan 0.000 0.242 396 N C -0.726 174.823 175.510 0.066 0.000 0.979 396 N CA -0.272 52.802 53.050 0.040 0.000 0.931 396 N CB 0.882 39.382 38.487 0.021 0.000 1.122 396 N HN -0.142 8.251 8.380 0.021 0.000 0.508 397 S N 6.886 122.621 115.700 0.058 0.000 3.320 397 S HA 0.083 nan 4.470 nan 0.000 0.185 397 S C 0.158 174.774 174.600 0.027 0.000 1.028 397 S CA 1.037 59.272 58.200 0.058 0.000 1.641 397 S CB 0.748 63.954 63.200 0.010 0.000 0.630 397 S HN 0.442 8.772 8.310 0.035 0.000 0.555 398 K N 1.022 121.424 120.400 0.004 0.000 2.148 398 K HA -0.124 nan 4.320 nan 0.000 0.204 398 K C -0.577 176.019 176.600 -0.005 0.000 1.050 398 K CA 1.783 58.066 56.287 -0.006 0.000 0.942 398 K CB 0.492 32.978 32.500 -0.023 0.000 0.724 398 K HN -0.237 8.420 8.250 -0.004 -0.410 0.446 399 T N -0.758 113.793 114.554 -0.005 0.000 2.831 399 T HA 0.227 nan 4.350 nan 0.000 0.287 399 T C -2.260 172.442 174.700 0.004 0.000 1.070 399 T CA -1.883 60.216 62.100 -0.003 0.000 1.010 399 T CB 3.281 72.144 68.868 -0.009 0.000 1.264 399 T HN -0.693 7.523 8.240 -0.008 0.019 0.532 400 A N -0.270 122.555 122.820 0.007 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 0.010 0.000 1.082 400 A CA 0.463 52.508 52.037 0.014 0.000 0.785 400 A CB 0.019 19.028 19.000 0.016 0.000 1.020 400 A HN 0.111 8.264 8.150 0.005 0.000 0.489 401 N N -1.955 116.755 118.700 0.017 0.000 2.678 401 N HA -0.353 nan 4.740 nan 0.000 0.249 401 N C -1.262 174.246 175.510 -0.004 0.000 1.119 401 N CA 1.413 54.472 53.050 0.015 0.000 0.718 401 N CB -1.588 36.916 38.487 0.027 0.000 1.060 401 N HN 0.080 8.476 8.380 0.027 0.000 0.552 402 V N -9.448 110.450 119.914 -0.026 0.000 2.769 402 V HA 0.806 nan 4.120 nan 0.000 0.312 402 V C -1.805 174.225 176.094 -0.107 0.000 1.061 402 V CA -2.819 59.451 62.300 -0.050 0.000 0.931 402 V CB 3.664 35.465 31.823 -0.036 0.000 1.010 402 V HN -0.841 7.269 8.190 -0.020 0.067 0.433 403 I N 2.963 123.431 120.570 -0.171 0.000 2.693 403 I HA 0.431 nan 4.170 nan 0.000 0.303 403 I C -2.116 173.920 176.117 -0.135 0.000 1.025 403 I CA -2.107 59.056 61.300 -0.227 0.000 1.086 403 I CB 3.492 41.202 38.000 -0.484 0.000 1.268 403 I HN 0.620 8.629 8.210 -0.161 0.105 0.440 404 T N 7.444 121.945 114.554 -0.089 0.000 2.809 404 T HA 0.447 nan 4.350 nan 0.000 0.284 404 T C -1.247 173.447 174.700 -0.011 0.000 0.992 404 T CA -0.624 61.449 62.100 -0.045 0.000 0.957 404 T CB 1.576 70.414 68.868 -0.049 0.000 0.942 404 T HN 0.165 8.353 8.240 -0.086 0.000 0.439 405 T N 7.729 122.301 114.554 0.031 0.000 2.918 405 T HA 0.663 nan 4.350 nan 0.000 0.283 405 T C -1.761 172.971 174.700 0.054 0.000 1.001 405 T CA -1.930 60.233 62.100 0.106 0.000 1.041 405 T CB 1.096 70.079 68.868 0.191 0.000 1.028 405 T HN 0.623 8.884 8.240 0.035 0.000 0.511 406 L N 1.307 122.588 121.223 0.096 0.000 2.301 406 L HA 0.647 nan 4.340 nan 0.000 0.249 406 L C -1.469 175.499 176.870 0.164 0.000 1.069 406 L CA -1.292 53.553 54.840 0.007 0.000 0.865 406 L CB 3.797 45.858 42.059 0.003 0.000 1.467 406 L HN -0.288 7.942 8.230 0.180 0.108 0.419 407 I N -0.482 120.146 120.570 0.096 0.000 2.392 407 I HA 0.422 nan 4.170 nan 0.000 0.295 407 I C -1.809 174.300 176.117 -0.014 0.000 0.985 407 I CA -2.113 59.273 61.300 0.143 0.000 1.221 407 I CB 1.379 39.498 38.000 0.200 0.000 1.366 407 I HN 0.216 8.421 8.210 -0.007 0.000 0.467 408 K N 8.804 129.082 120.400 -0.202 0.000 2.545 408 K HA 0.390 nan 4.320 nan 0.000 0.252 408 K C -1.322 174.958 176.600 -0.534 0.000 0.948 408 K CA -1.658 54.398 56.287 -0.384 0.000 0.827 408 K CB 2.587 34.793 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 5.615 125.620 120.200 -0.325 0.000 2.398 409 E HA 0.088 nan 4.350 nan 0.000 0.263 409 E C -1.049 175.227 176.600 -0.540 0.000 1.046 409 E CA 0.550 56.666 56.400 -0.474 0.000 0.908 409 E CB 0.402 29.884 29.700 -0.364 0.000 0.963 409 E HN 0.389 8.634 8.360 -0.191 0.000 0.431 410 S N 1.737 116.990 115.700 -0.746 0.000 2.727 410 S HA 0.380 nan 4.470 nan 0.000 0.278 410 S C -2.067 172.086 174.600 -0.746 0.000 1.186 410 S CA -0.953 56.811 58.200 -0.727 0.000 0.836 410 S CB 2.690 65.410 63.200 -0.800 0.000 1.186 410 S HN 0.423 8.222 8.310 -0.852 0.000 0.499 411 L N -0.458 120.532 121.223 -0.389 0.000 2.309 411 L HA 0.595 nan 4.340 nan 0.000 0.261 411 L C -2.150 174.828 176.870 0.179 0.000 1.021 411 L CA -1.043 53.743 54.840 -0.090 0.000 0.823 411 L CB 3.311 45.335 42.059 -0.058 0.000 1.366 411 L HN 0.419 8.477 8.230 -0.286 0.000 0.423 412 L N -0.614 120.719 121.223 0.182 0.000 2.543 412 L HA 0.261 nan 4.340 nan 0.000 0.265 412 L C -2.233 174.689 176.870 0.088 0.000 0.945 412 L CA 0.140 55.068 54.840 0.147 0.000 0.869 412 L CB 3.562 45.714 42.059 0.154 0.000 1.294 412 L HN -0.166 8.143 8.230 0.130 0.000 0.405 413 E N 6.521 126.759 120.200 0.062 0.000 1.941 413 E HA 0.209 nan 4.350 nan 0.000 0.275 413 E C 0.741 177.415 176.600 0.123 0.000 1.113 413 E CA -0.874 55.584 56.400 0.096 0.000 0.878 413 E CB -0.016 29.762 29.700 0.129 0.000 1.070 413 E HN 0.270 8.650 8.360 0.032 0.000 0.399 414 L N 6.747 128.030 121.223 0.099 0.000 2.083 414 L HA -0.386 nan 4.340 nan 0.000 0.209 414 L C 1.616 178.553 176.870 0.112 0.000 1.083 414 L CA 3.000 57.900 54.840 0.099 0.000 0.752 414 L CB -0.375 41.742 42.059 0.097 0.000 0.899 414 L HN 0.986 9.268 8.230 0.087 0.000 0.433 415 S N -0.718 115.055 115.700 0.121 0.000 2.434 415 S HA -0.485 nan 4.470 nan 0.000 0.250 415 S C 2.219 176.848 174.600 0.049 0.000 1.102 415 S CA 3.443 61.740 58.200 0.163 0.000 1.104 415 S CB -0.602 62.555 63.200 -0.072 0.000 0.957 415 S HN -0.203 8.167 8.310 0.100 0.000 0.456 416 H N -0.202 118.824 119.070 -0.074 0.000 2.326 416 H HA -0.147 nan 4.556 nan 0.000 0.301 416 H C 1.907 177.093 175.328 -0.237 0.000 1.081 416 H CA 2.951 58.819 56.048 -0.298 0.000 1.334 416 H CB 0.144 29.614 29.762 -0.486 0.000 1.385 416 H HN -0.843 7.488 8.280 0.135 0.030 0.504 417 G N -2.959 105.827 108.800 -0.022 0.000 2.404 417 G HA2 -0.134 nan 3.960 nan 0.000 0.214 417 G HA3 -0.134 nan 3.960 nan 0.000 0.214 417 G C -0.268 174.618 174.900 -0.023 0.000 1.189 417 G CA 0.933 45.995 45.100 -0.064 0.000 0.789 417 G HN -0.267 8.048 8.290 0.042 0.000 0.533 418 I N -3.736 116.860 120.570 0.045 0.000 3.076 418 I HA 0.447 nan 4.170 nan 0.000 0.313 418 I C -1.928 174.228 176.117 0.065 0.000 1.053 418 I CA -3.333 58.000 61.300 0.054 0.000 1.048 418 I CB 2.176 40.214 38.000 0.064 0.000 1.264 418 I HN -0.323 7.819 8.210 0.068 0.109 0.498 419 N N 1.599 120.291 118.700 -0.013 0.000 2.415 419 N HA -0.057 nan 4.740 nan 0.000 0.250 419 N C -0.039 175.395 175.510 -0.127 0.000 1.127 419 N CA -0.535 52.411 53.050 -0.173 0.000 0.945 419 N CB -0.656 37.685 38.487 -0.243 0.000 1.196 419 N HN -0.013 8.360 8.380 -0.013 0.000 0.499 420 F N 1.566 121.522 119.950 0.010 0.000 2.161 420 F HA -0.140 nan 4.527 nan 0.000 0.300 420 F C 1.380 177.171 175.800 -0.016 0.000 1.089 420 F CA 0.787 58.786 58.000 -0.002 0.000 1.282 420 F CB -0.200 38.796 39.000 -0.006 0.000 1.010 420 F HN -0.338 7.832 8.300 -0.216 0.000 0.485 421 G N -0.544 108.043 108.800 -0.355 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 0.429 175.362 174.900 0.055 0.000 1.351 421 G CA 1.541 46.522 45.100 -0.199 0.000 0.905 421 G HN -0.243 7.511 8.290 -1.066 -0.104 0.561 422 T N 0.651 115.337 114.554 0.219 0.000 3.348 422 T HA 0.130 nan 4.350 nan 0.000 0.233 422 T C 0.247 175.106 174.700 0.266 0.000 0.960 422 T CA 0.187 62.417 62.100 0.217 0.000 1.343 422 T CB 0.915 69.852 68.868 0.115 0.000 1.068 422 T HN 0.183 8.483 8.240 0.182 0.050 0.410 423 D N 2.267 122.780 120.400 0.188 0.000 2.352 423 D HA -0.112 nan 4.640 nan 0.000 0.238 423 D C 0.468 176.653 176.300 -0.191 0.000 1.286 423 D CA 0.146 54.160 54.000 0.024 0.000 0.923 423 D CB 0.510 41.327 40.800 0.028 0.000 1.146 423 D HN -0.362 8.143 8.370 0.225 0.000 0.471 424 Q N -1.233 118.447 119.800 -0.200 0.000 2.016 424 Q HA -0.143 nan 4.340 nan 0.000 0.200 424 Q C 0.365 176.121 176.000 -0.407 0.000 0.978 424 Q CA 2.299 57.914 55.803 -0.314 0.000 0.833 424 Q CB 0.697 29.332 28.738 -0.172 0.000 0.895 424 Q HN -0.047 8.155 8.270 -0.113 0.000 0.427 425 S N -4.053 111.516 115.700 -0.218 0.000 2.543 425 S HA 0.184 nan 4.470 nan 0.000 0.273 425 S C -2.567 172.005 174.600 -0.047 0.000 1.152 425 S CA -0.142 57.974 58.200 -0.140 0.000 0.910 425 S CB 2.607 65.753 63.200 -0.090 0.000 1.105 425 S HN -0.686 7.638 8.310 -0.148 -0.103 0.465 426 V N 1.556 121.472 119.914 0.004 0.000 2.409 426 V HA 0.767 nan 4.120 nan 0.000 0.291 426 V C -1.597 174.525 176.094 0.046 0.000 1.020 426 V CA -2.728 59.597 62.300 0.041 0.000 0.848 426 V CB 1.416 33.286 31.823 0.078 0.000 0.990 426 V HN 0.707 8.900 8.190 0.007 0.000 0.430 427 K N 4.888 125.311 120.400 0.038 0.000 2.270 427 K HA 0.732 nan 4.320 nan 0.000 0.255 427 K C -2.073 174.559 176.600 0.054 0.000 0.936 427 K CA -2.527 53.785 56.287 0.041 0.000 0.809 427 K CB 2.962 35.469 32.500 0.013 0.000 1.131 427 K HN 0.666 8.833 8.250 0.032 0.102 0.427 428 V N 4.144 124.109 119.914 0.085 0.000 2.318 428 V HA 0.286 nan 4.120 nan 0.000 0.271 428 V C -1.501 174.659 176.094 0.110 0.000 1.030 428 V CA -2.425 59.941 62.300 0.111 0.000 0.844 428 V CB 0.688 32.600 31.823 0.148 0.000 1.015 428 V HN 0.069 8.317 8.190 0.098 0.000 0.460 429 K N 11.302 131.710 120.400 0.014 0.000 2.363 429 K HA 0.062 nan 4.320 nan 0.000 0.289 429 K C -1.010 175.520 176.600 -0.118 0.000 1.063 429 K CA 0.056 56.266 56.287 -0.129 0.000 0.967 429 K CB 0.039 32.459 32.500 -0.133 0.000 0.987 429 K HN 0.726 8.989 8.250 0.021 0.000 0.473 430 Y N 3.383 123.594 120.300 -0.149 0.000 2.618 430 Y HA 0.282 nan 4.550 nan 0.000 0.326 430 Y C -2.121 173.591 175.900 -0.314 0.000 1.168 430 Y CA -3.047 54.982 58.100 -0.118 0.000 1.269 430 Y CB 2.448 40.926 38.460 0.030 0.000 1.388 430 Y HN 0.244 8.027 8.280 -0.651 0.106 0.528 431 H N -0.684 118.500 119.070 0.189 0.000 2.609 431 H HA 0.447 nan 4.556 nan 0.000 0.344 431 H C -1.255 174.206 175.328 0.222 0.000 1.040 431 H CA -1.272 54.814 56.048 0.063 0.000 1.216 431 H CB 2.882 32.684 29.762 0.068 0.000 1.529 431 H HN -0.118 8.421 8.280 0.430 0.000 0.519 432 H N 1.481 120.682 119.070 0.219 0.000 2.797 432 H HA 0.373 nan 4.556 nan 0.000 0.372 432 H C -2.083 173.366 175.328 0.202 0.000 1.168 432 H CA -2.438 53.745 56.048 0.225 0.000 1.163 432 H CB 2.367 32.194 29.762 0.109 0.000 1.778 432 H HN 0.792 8.847 8.280 -0.179 0.117 0.551 433 L N 0.148 121.685 121.223 0.524 0.000 2.452 433 L HA 0.105 nan 4.340 nan 0.000 0.267 433 L C -1.061 176.119 176.870 0.516 0.000 1.188 433 L CA 0.841 55.932 54.840 0.417 0.000 0.821 433 L CB 1.283 43.517 42.059 0.291 0.000 1.102 433 L HN 0.372 8.948 8.230 0.576 0.000 0.470 434 D N 1.105 121.722 120.400 0.361 0.000 3.158 434 D HA 0.247 nan 4.640 nan 0.000 0.314 434 D C -1.958 174.457 176.300 0.191 0.000 1.308 434 D CA -0.952 53.208 54.000 0.267 0.000 1.001 434 D CB 3.535 44.436 40.800 0.168 0.000 1.389 434 D HN 0.266 8.826 8.370 0.317 0.000 0.595 435 H N -5.239 113.876 119.070 0.074 0.000 3.064 435 H HA 0.262 nan 4.556 nan 0.000 0.352 435 H C -1.630 173.658 175.328 -0.066 0.000 1.260 435 H CA -1.306 54.729 56.048 -0.023 0.000 1.160 435 H CB 2.324 32.042 29.762 -0.072 0.000 1.879 435 H HN -0.046 8.055 8.280 -0.299 0.000 0.544 436 E N 1.583 121.808 120.200 0.042 0.000 2.398 436 E HA 0.048 nan 4.350 nan 0.000 0.263 436 E C -1.294 175.379 176.600 0.122 0.000 1.046 436 E CA -1.671 54.743 56.400 0.022 0.000 0.908 436 E CB 0.767 30.468 29.700 0.001 0.000 0.963 436 E HN 0.221 8.480 8.360 0.033 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 0.387 63.653 63.100 0.275 0.000 0.789 437 P CB 0.591 32.465 31.700 0.290 0.000 0.951 438 F N -5.879 114.105 119.950 0.058 0.000 2.807 438 F HA 0.367 nan 4.527 nan 0.000 0.316 438 F C -2.397 173.342 175.800 -0.102 0.000 1.162 438 F CA -2.311 55.657 58.000 -0.053 0.000 0.910 438 F CB 1.778 40.704 39.000 -0.124 0.000 1.314 438 F HN -0.288 8.220 8.300 0.346 0.000 0.454 439 T N -0.571 113.822 114.554 -0.269 0.000 2.916 439 T HA 0.621 nan 4.350 nan 0.000 0.292 439 T C -1.626 172.750 174.700 -0.540 0.000 1.055 439 T CA -1.582 60.263 62.100 -0.425 0.000 1.009 439 T CB 2.866 71.634 68.868 -0.168 0.000 1.118 439 T HN -0.159 8.056 8.240 -0.041 0.000 0.497 440 Y N 1.819 122.031 120.300 -0.147 0.000 2.313 440 Y HA 0.217 nan 4.550 nan 0.000 0.332 440 Y C -1.320 174.567 175.900 -0.021 0.000 1.071 440 Y CA -0.844 57.241 58.100 -0.026 0.000 1.169 440 Y CB 1.245 39.704 38.460 -0.002 0.000 1.192 440 Y HN 0.500 8.544 8.280 -0.218 0.105 0.487 441 N N 3.524 122.291 118.700 0.112 0.000 2.446 441 N HA 0.435 nan 4.740 nan 0.000 0.265 441 N C -2.207 173.369 175.510 0.110 0.000 0.975 441 N CA -0.802 52.294 53.050 0.077 0.000 0.928 441 N CB 2.513 41.027 38.487 0.045 0.000 1.160 441 N HN -0.090 8.357 8.380 0.111 0.000 0.495 442 I N 6.062 126.690 120.570 0.097 0.000 2.418 442 I HA 0.616 nan 4.170 nan 0.000 0.287 442 I C -2.552 173.606 176.117 0.069 0.000 1.008 442 I CA -1.963 59.398 61.300 0.101 0.000 1.104 442 I CB 3.027 41.099 38.000 0.120 0.000 1.264 442 I HN 0.605 8.855 8.210 0.066 0.000 0.438 443 V N 9.012 128.967 119.914 0.068 0.000 2.532 443 V HA 0.679 nan 4.120 nan 0.000 0.295 443 V C -1.552 174.577 176.094 0.059 0.000 1.041 443 V CA -1.613 60.722 62.300 0.057 0.000 0.926 443 V CB 1.361 33.213 31.823 0.048 0.000 0.992 443 V HN 0.814 8.939 8.190 0.076 0.110 0.457 444 V N 5.340 125.286 119.914 0.055 0.000 2.841 444 V HA 0.407 nan 4.120 nan 0.000 0.310 444 V C -2.051 174.062 176.094 0.031 0.000 1.090 444 V CA -1.240 61.091 62.300 0.051 0.000 0.930 444 V CB 4.344 36.208 31.823 0.069 0.000 1.014 444 V HN 0.958 9.092 8.190 0.052 0.087 0.425 445 E N 6.331 126.540 120.200 0.015 0.000 2.070 445 E HA 0.274 nan 4.350 nan 0.000 0.261 445 E C -1.353 175.233 176.600 -0.024 0.000 0.926 445 E CA -2.361 54.038 56.400 -0.001 0.000 0.760 445 E CB 1.247 30.946 29.700 -0.002 0.000 1.133 445 E HN 0.735 8.986 8.360 0.016 0.118 0.420 446 N N 8.217 126.900 118.700 -0.028 0.000 2.739 446 N HA 0.019 nan 4.740 nan 0.000 0.266 446 N C 0.731 176.206 175.510 -0.059 0.000 1.168 446 N CA -1.303 51.711 53.050 -0.061 0.000 1.055 446 N CB -0.346 38.108 38.487 -0.054 0.000 1.393 446 N HN 0.436 8.719 8.380 -0.011 0.090 0.514 447 N N 4.263 122.924 118.700 -0.064 0.000 2.192 447 N HA -0.338 nan 4.740 nan 0.000 0.188 447 N C -0.088 175.389 175.510 -0.054 0.000 1.013 447 N CA 2.354 55.373 53.050 -0.052 0.000 0.863 447 N CB -0.010 38.446 38.487 -0.052 0.000 0.990 447 N HN -0.238 8.067 8.380 -0.073 0.031 0.430 448 S N -0.615 115.041 115.700 -0.073 0.000 2.533 448 S HA 0.005 nan 4.470 nan 0.000 0.282 448 S C 1.065 175.633 174.600 -0.054 0.000 1.304 448 S CA 0.310 58.470 58.200 -0.067 0.000 1.063 448 S CB 0.365 63.512 63.200 -0.089 0.000 0.881 448 S HN -0.691 7.532 8.310 -0.095 0.030 0.493 449 G N 1.583 110.359 108.800 -0.040 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 -0.936 173.942 174.900 -0.036 0.000 1.115 449 G CA 0.851 45.931 45.100 -0.033 0.000 0.757 449 G HN 0.432 8.700 8.290 -0.037 0.000 0.560 450 A N -0.991 121.804 122.820 -0.043 0.000 2.310 450 A HA 0.130 nan 4.320 nan 0.000 0.299 450 A C -0.678 176.864 177.584 -0.071 0.000 1.147 450 A CA -1.576 50.432 52.037 -0.047 0.000 0.818 450 A CB 1.059 20.037 19.000 -0.037 0.000 1.096 450 A HN -0.668 7.419 8.150 -0.045 0.036 0.495 451 E N 1.136 121.285 120.200 -0.085 0.000 2.652 451 E HA -0.309 nan 4.350 nan 0.000 0.255 451 E C -1.027 175.463 176.600 -0.183 0.000 0.952 451 E CA 0.992 57.312 56.400 -0.134 0.000 0.947 451 E CB 0.084 29.682 29.700 -0.169 0.000 0.912 451 E HN 0.361 8.680 8.360 -0.069 0.000 0.489 452 K N 4.848 125.161 120.400 -0.144 0.000 2.185 452 K HA 0.236 nan 4.320 nan 0.000 0.269 452 K C -1.228 175.379 176.600 0.012 0.000 0.987 452 K CA -1.576 54.673 56.287 -0.063 0.000 0.865 452 K CB 1.777 34.246 32.500 -0.053 0.000 1.090 452 K HN 0.581 8.684 8.250 -0.106 0.083 0.450 453 H N 3.737 122.995 119.070 0.313 0.000 2.552 453 H HA 0.500 nan 4.556 nan 0.000 0.311 453 H C -0.341 175.269 175.328 0.470 0.000 1.071 453 H CA -0.925 55.378 56.048 0.425 0.000 1.307 453 H CB 0.797 30.847 29.762 0.480 0.000 1.416 453 H HN 0.501 8.942 8.280 0.269 0.000 0.464 454 S N 3.290 119.297 115.700 0.513 0.000 2.648 454 S HA 0.751 nan 4.470 nan 0.000 0.305 454 S C -0.706 174.000 174.600 0.177 0.000 1.094 454 S CA -1.647 56.691 58.200 0.231 0.000 0.983 454 S CB 2.191 65.516 63.200 0.207 0.000 1.101 454 S HN 0.713 9.306 8.310 0.473 0.000 0.514 455 T N 2.296 116.831 114.554 -0.032 0.000 2.791 455 T HA 0.376 nan 4.350 nan 0.000 0.288 455 T C -1.305 173.269 174.700 -0.209 0.000 0.999 455 T CA -0.526 61.551 62.100 -0.038 0.000 0.952 455 T CB 0.672 69.582 68.868 0.070 0.000 0.938 455 T HN 0.653 8.642 8.240 -0.226 0.115 0.444 456 V N 7.517 127.193 119.914 -0.397 0.000 2.318 456 V HA 0.381 nan 4.120 nan 0.000 0.271 456 V C -0.892 174.996 176.094 -0.344 0.000 1.030 456 V CA -1.078 60.928 62.300 -0.490 0.000 0.844 456 V CB -0.368 30.835 31.823 -1.034 0.000 1.015 456 V HN 1.052 8.837 8.190 -0.497 0.107 0.460 457 R N 7.536 127.963 120.500 -0.122 0.000 2.207 457 R HA 0.595 nan 4.340 nan 0.000 0.334 457 R C -1.062 175.261 176.300 0.038 0.000 1.013 457 R CA -1.058 55.031 56.100 -0.019 0.000 0.858 457 R CB 0.569 30.970 30.300 0.168 0.000 1.094 457 R HN 0.424 8.644 8.270 -0.084 0.000 0.457 458 I N 4.099 124.617 120.570 -0.086 0.000 2.493 458 I HA 0.636 nan 4.170 nan 0.000 0.298 458 I C -1.495 174.632 176.117 0.017 0.000 0.998 458 I CA -1.024 60.300 61.300 0.040 0.000 1.137 458 I CB 2.687 40.584 38.000 -0.171 0.000 1.310 458 I HN 0.757 8.754 8.210 -0.179 0.105 0.445 459 F N 4.468 124.586 119.950 0.280 0.000 2.593 459 F HA 0.787 nan 4.527 nan 0.000 0.320 459 F C -1.552 174.487 175.800 0.398 0.000 1.060 459 F CA -1.577 56.641 58.000 0.364 0.000 0.940 459 F CB 4.273 43.536 39.000 0.439 0.000 1.268 459 F HN 0.429 8.998 8.300 0.618 0.102 0.475 460 L N 1.261 122.816 121.223 0.554 0.000 2.406 460 L HA 0.670 nan 4.340 nan 0.000 0.272 460 L C -2.363 174.695 176.870 0.314 0.000 0.980 460 L CA -1.334 53.737 54.840 0.385 0.000 0.831 460 L CB 3.540 45.747 42.059 0.247 0.000 1.253 460 L HN 0.890 9.339 8.230 0.553 0.113 0.406 461 A N 5.987 128.899 122.820 0.154 0.000 2.483 461 A HA 0.840 nan 4.320 nan 0.000 0.286 461 A C -3.477 174.111 177.584 0.008 0.000 1.207 461 A CA -2.703 49.257 52.037 -0.128 0.000 0.764 461 A CB 1.979 20.479 19.000 -0.833 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 0.292 462 P C -1.449 175.630 177.300 -0.368 0.000 1.283 462 P CA -0.780 62.047 63.100 -0.455 0.000 0.835 462 P CB 1.276 32.653 31.700 -0.539 0.000 1.017 463 K N 1.231 121.402 120.400 -0.382 0.000 2.166 463 K HA -0.058 nan 4.320 nan 0.000 0.201 463 K C 0.542 176.900 176.600 -0.403 0.000 1.052 463 K CA 1.202 57.278 56.287 -0.352 0.000 0.969 463 K CB 0.895 33.185 32.500 -0.351 0.000 0.761 463 K HN -0.244 7.717 8.250 -0.480 0.000 0.459 464 Y N -1.970 118.173 120.300 -0.261 0.000 2.326 464 Y HA -0.155 nan 4.550 nan 0.000 0.333 464 Y C -0.406 175.373 175.900 -0.202 0.000 1.240 464 Y CA 1.935 59.910 58.100 -0.208 0.000 1.365 464 Y CB 0.741 39.075 38.460 -0.211 0.000 1.289 464 Y HN -0.868 7.233 8.280 -0.298 0.000 0.548 465 D N 0.939 121.376 120.400 0.061 0.000 2.539 465 D HA 0.130 nan 4.640 nan 0.000 0.276 465 D C -0.298 175.991 176.300 -0.019 0.000 1.206 465 D CA -1.072 52.919 54.000 -0.016 0.000 1.081 465 D CB 2.027 42.813 40.800 -0.023 0.000 1.142 465 D HN 0.170 8.501 8.370 0.127 0.115 0.595 466 E N -1.365 118.806 120.200 -0.049 0.000 2.489 466 E HA -0.081 nan 4.350 nan 0.000 0.193 466 E C -0.778 175.790 176.600 -0.054 0.000 1.057 466 E CA 1.401 57.763 56.400 -0.064 0.000 0.866 466 E CB -0.022 29.638 29.700 -0.065 0.000 0.916 466 E HN 0.309 8.639 8.360 -0.050 0.000 0.500 467 L N -1.107 120.096 121.223 -0.033 0.000 2.416 467 L HA 0.214 nan 4.340 nan 0.000 0.188 467 L C 0.387 177.252 176.870 -0.009 0.000 1.145 467 L CA 1.642 56.468 54.840 -0.023 0.000 0.826 467 L CB 0.004 42.053 42.059 -0.017 0.000 1.064 467 L HN -0.110 8.007 8.230 -0.024 0.099 0.490 468 N N -4.333 114.383 118.700 0.027 0.000 3.308 468 N HA -0.014 nan 4.740 nan 0.000 0.276 468 N C -2.140 173.457 175.510 0.146 0.000 1.533 468 N CA -0.718 52.381 53.050 0.081 0.000 0.878 468 N CB 1.502 40.015 38.487 0.044 0.000 1.566 468 N HN -0.534 7.861 8.380 0.025 0.000 0.546 469 N N -0.450 118.346 118.700 0.161 0.000 2.421 469 N HA -0.094 nan 4.740 nan 0.000 0.260 469 N C -1.508 173.956 175.510 -0.075 0.000 1.173 469 N CA 0.734 53.772 53.050 -0.021 0.000 0.960 469 N CB 0.085 38.463 38.487 -0.180 0.000 1.273 469 N HN 0.220 8.700 8.380 0.167 0.000 0.497 470 K N 3.595 123.948 120.400 -0.078 0.000 2.616 470 K HA 0.266 nan 4.320 nan 0.000 0.241 470 K C -0.333 176.212 176.600 -0.092 0.000 0.961 470 K CA -1.396 54.847 56.287 -0.073 0.000 0.942 470 K CB 1.169 33.643 32.500 -0.043 0.000 1.153 470 K HN -0.265 7.944 8.250 -0.068 0.000 0.452 471 L N 6.439 127.605 121.223 -0.094 0.000 2.930 471 L HA -0.002 nan 4.340 nan 0.000 0.250 471 L C -0.804 176.033 176.870 -0.055 0.000 1.320 471 L CA -0.863 53.922 54.840 -0.092 0.000 1.163 471 L CB -1.721 40.287 42.059 -0.085 0.000 1.542 471 L HN 0.819 8.998 8.230 -0.086 0.000 0.428 472 E N 1.542 121.707 120.200 -0.058 0.000 2.081 472 E HA 0.005 nan 4.350 nan 0.000 0.270 472 E C -1.305 175.265 176.600 -0.049 0.000 1.180 472 E CA -1.209 55.167 56.400 -0.040 0.000 0.926 472 E CB -0.647 29.029 29.700 -0.039 0.000 1.035 472 E HN -0.247 7.963 8.360 -0.070 0.109 0.418 473 P HA -0.125 nan 4.420 nan 0.000 0.222 473 P C 0.735 178.031 177.300 -0.007 0.000 1.153 473 P CA 2.424 65.525 63.100 0.002 0.000 0.798 473 P CB 0.298 32.011 31.700 0.021 0.000 0.796 474 D N -0.353 120.029 120.400 -0.030 0.000 2.097 474 D HA -0.323 nan 4.640 nan 0.000 0.197 474 D C 1.402 177.702 176.300 0.000 0.000 0.984 474 D CA 3.360 57.352 54.000 -0.014 0.000 0.826 474 D CB -0.432 40.356 40.800 -0.020 0.000 0.973 474 D HN 0.311 8.661 8.370 -0.034 0.000 0.460 475 E N -1.736 118.451 120.200 -0.021 0.000 2.085 475 E HA -0.349 nan 4.350 nan 0.000 0.194 475 E C 2.477 179.044 176.600 -0.054 0.000 0.994 475 E CA 2.990 59.371 56.400 -0.032 0.000 0.801 475 E CB -0.162 29.508 29.700 -0.049 0.000 0.743 475 E HN 0.113 8.457 8.360 -0.026 0.000 0.453 476 Q N -1.428 118.310 119.800 -0.103 0.000 2.291 476 Q HA -0.244 nan 4.340 nan 0.000 0.205 476 Q C 2.257 178.195 176.000 -0.103 0.000 0.970 476 Q CA 2.570 58.226 55.803 -0.244 0.000 0.876 476 Q CB -0.248 28.195 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 -1.435 119.151 120.500 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 2.615 58.893 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 -0.205 8.006 8.270 0.093 0.116 0.459 478 R N -2.931 117.636 120.500 0.113 0.000 2.148 478 R HA -0.092 nan 4.340 nan 0.000 0.223 478 R C 1.177 177.520 176.300 0.072 0.000 1.088 478 R CA 1.291 57.449 56.100 0.097 0.000 0.985 478 R CB -0.136 30.203 30.300 0.066 0.000 0.880 478 R HN -0.656 7.619 8.270 0.068 0.036 0.451 479 L N -1.463 119.773 121.223 0.022 0.000 2.316 479 L HA 0.063 nan 4.340 nan 0.000 0.207 479 L C 0.802 177.701 176.870 0.049 0.000 1.070 479 L CA 0.733 55.562 54.840 -0.019 0.000 0.820 479 L CB 0.113 42.094 42.059 -0.130 0.000 0.992 479 L HN -0.349 7.703 8.230 -0.008 0.173 0.466 480 F N -0.644 119.314 119.950 0.013 0.000 2.512 480 F HA -0.303 nan 4.527 nan 0.000 0.406 480 F C 0.247 176.201 175.800 0.257 0.000 0.990 480 F CA 2.569 60.621 58.000 0.086 0.000 1.137 480 F CB -0.245 38.692 39.000 -0.105 0.000 0.960 480 F HN -0.212 8.099 8.300 0.017 0.000 0.533 481 I N -0.375 120.523 120.570 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 0.266 0.000 1.014 481 I CA -2.164 59.344 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 0.735 9.170 8.210 0.565 0.114 0.431 482 E N 6.687 126.892 120.200 0.008 0.000 2.217 482 E HA -0.039 nan 4.350 nan 0.000 0.279 482 E C -1.148 175.370 176.600 -0.137 0.000 1.068 482 E CA 0.405 56.523 56.400 -0.469 0.000 0.882 482 E CB 0.445 29.932 29.700 -0.354 0.000 1.039 482 E HN 0.050 8.794 8.360 0.159 -0.289 0.418 483 L N 5.836 126.998 121.223 -0.102 0.000 2.375 483 L HA 0.111 nan 4.340 nan 0.000 0.215 483 L C -0.462 176.403 176.870 -0.007 0.000 1.108 483 L CA 0.526 55.388 54.840 0.037 0.000 0.830 483 L CB 0.606 42.788 42.059 0.205 0.000 0.959 483 L HN 0.752 8.769 8.230 -0.170 0.110 0.457 484 D N -3.872 116.480 120.400 -0.079 0.000 2.683 484 D HA 0.155 nan 4.640 nan 0.000 0.246 484 D C -2.927 173.359 176.300 -0.024 0.000 1.238 484 D CA -0.474 53.513 54.000 -0.022 0.000 0.759 484 D CB 2.571 43.364 40.800 -0.012 0.000 1.349 484 D HN -0.836 7.438 8.370 -0.162 0.000 0.426 485 K N 2.546 122.991 120.400 0.075 0.000 2.651 485 K HA 0.569 nan 4.320 nan 0.000 0.259 485 K C -2.178 174.511 176.600 0.148 0.000 1.017 485 K CA -0.098 56.209 56.287 0.033 0.000 0.897 485 K CB 1.828 34.335 32.500 0.012 0.000 1.262 485 K HN 0.199 8.534 8.250 0.141 0.000 0.460 486 F N 1.369 121.302 119.950 -0.028 0.000 2.675 486 F HA 0.468 nan 4.527 nan 0.000 0.324 486 F C -2.431 173.400 175.800 0.053 0.000 1.106 486 F CA -2.544 55.455 58.000 -0.001 0.000 0.970 486 F CB 3.043 42.025 39.000 -0.031 0.000 1.385 486 F HN 0.009 8.077 8.300 -0.387 0.000 0.489 487 F N -0.163 119.823 119.950 0.060 0.000 2.427 487 F HA 0.420 nan 4.527 nan 0.000 0.346 487 F C -2.279 173.654 175.800 0.222 0.000 1.120 487 F CA -1.688 56.225 58.000 -0.146 0.000 1.033 487 F CB 2.125 40.731 39.000 -0.657 0.000 1.126 487 F HN -0.031 8.501 8.300 0.386 0.000 0.462 488 Y N 7.314 127.452 120.300 -0.270 0.000 2.634 488 Y HA 0.236 nan 4.550 nan 0.000 0.340 488 Y C -2.247 173.482 175.900 -0.285 0.000 1.058 488 Y CA -1.327 56.568 58.100 -0.343 0.000 1.081 488 Y CB 4.718 43.203 38.460 0.042 0.000 1.295 488 Y HN -0.247 8.127 8.280 0.157 0.000 0.487 489 T N 3.919 118.109 114.554 -0.607 0.000 2.841 489 T HA 0.589 nan 4.350 nan 0.000 0.283 489 T C -1.529 172.997 174.700 -0.289 0.000 1.000 489 T CA -0.633 61.289 62.100 -0.295 0.000 0.977 489 T CB 1.204 69.935 68.868 -0.229 0.000 0.979 489 T HN -0.006 7.438 8.240 -1.327 0.000 0.446 490 L N 5.931 127.099 121.223 -0.091 0.000 2.372 490 L HA 0.441 nan 4.340 nan 0.000 0.273 490 L C -0.504 176.338 176.870 -0.047 0.000 0.989 490 L CA -1.033 53.811 54.840 0.006 0.000 0.841 490 L CB 2.205 44.320 42.059 0.093 0.000 1.225 490 L HN 0.856 8.920 8.230 -0.109 0.101 0.414 491 T N 2.445 116.975 114.554 -0.039 0.000 2.748 491 T HA 0.213 nan 4.350 nan 0.000 0.304 491 T C -0.949 173.733 174.700 -0.030 0.000 1.041 491 T CA -2.177 59.898 62.100 -0.043 0.000 1.033 491 T CB -1.082 67.768 68.868 -0.031 0.000 0.995 491 T HN 0.047 8.435 8.240 -0.015 -0.157 0.536 492 P HA -0.294 nan 4.420 nan 0.000 0.268 492 P C -0.702 176.589 177.300 -0.015 0.000 1.208 492 P CA 0.551 63.634 63.100 -0.029 0.000 0.777 492 P CB 0.115 31.798 31.700 -0.028 0.000 0.875 493 G N 2.297 111.088 108.800 -0.015 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 -1.494 173.409 174.900 0.005 0.000 1.286 493 G CA -0.375 44.722 45.100 -0.006 0.000 0.904 493 G HN -0.012 8.159 8.290 -0.024 0.105 0.577 494 K N 2.984 123.391 120.400 0.011 0.000 2.419 494 K HA -0.174 nan 4.320 nan 0.000 0.282 494 K C -0.840 175.780 176.600 0.034 0.000 1.056 494 K CA 1.047 57.347 56.287 0.022 0.000 1.035 494 K CB -0.209 32.303 32.500 0.020 0.000 0.921 494 K HN 0.117 8.372 8.250 0.008 0.000 0.472 495 N N 5.404 124.133 118.700 0.048 0.000 2.269 495 N HA 0.295 nan 4.740 nan 0.000 0.304 495 N C -1.703 173.850 175.510 0.071 0.000 1.072 495 N CA -0.523 52.572 53.050 0.075 0.000 0.802 495 N CB 4.268 42.820 38.487 0.107 0.000 1.348 495 N HN 0.623 8.926 8.380 0.044 0.104 0.484 496 T N -3.594 111.005 114.554 0.075 0.000 2.841 496 T HA 0.670 nan 4.350 nan 0.000 0.283 496 T C -0.910 173.800 174.700 0.016 0.000 1.000 496 T CA -1.750 60.378 62.100 0.047 0.000 0.977 496 T CB 1.474 70.363 68.868 0.036 0.000 0.979 496 T HN 0.196 8.492 8.240 0.093 0.000 0.446 497 I N 2.737 123.271 120.570 -0.061 0.000 2.530 497 I HA 0.451 nan 4.170 nan 0.000 0.297 497 I C -1.535 174.505 176.117 -0.128 0.000 1.011 497 I CA -1.361 59.782 61.300 -0.262 0.000 1.107 497 I CB 3.947 41.742 38.000 -0.341 0.000 1.285 497 I HN 0.659 8.756 8.210 -0.013 0.105 0.436 498 V N 4.958 124.772 119.914 -0.167 0.000 2.588 498 V HA 0.599 nan 4.120 nan 0.000 0.304 498 V C -1.474 174.528 176.094 -0.153 0.000 1.042 498 V CA -1.337 60.908 62.300 -0.092 0.000 0.877 498 V CB 1.839 33.623 31.823 -0.064 0.000 0.996 498 V HN 0.120 8.159 8.190 -0.253 0.000 0.425 499 R N 7.277 127.717 120.500 -0.100 0.000 2.510 499 R HA 0.345 nan 4.340 nan 0.000 0.294 499 R C -1.889 174.334 176.300 -0.128 0.000 1.056 499 R CA -1.761 54.233 56.100 -0.177 0.000 0.918 499 R CB 2.950 33.100 30.300 -0.249 0.000 1.187 499 R HN 0.333 8.586 8.270 -0.028 0.000 0.437 500 N N 6.418 125.007 118.700 -0.184 0.000 2.518 500 N HA 0.143 nan 4.740 nan 0.000 0.283 500 N C 0.783 176.162 175.510 -0.219 0.000 1.119 500 N CA -0.424 52.507 53.050 -0.198 0.000 0.983 500 N CB 0.875 39.278 38.487 -0.140 0.000 1.139 500 N HN 0.463 8.723 8.380 -0.200 0.000 0.465 501 H N 3.469 122.356 119.070 -0.305 0.000 2.375 501 H HA -0.539 nan 4.556 nan 0.000 0.289 501 H C 1.781 177.111 175.328 0.002 0.000 1.121 501 H CA 4.292 60.231 56.048 -0.183 0.000 1.207 501 H CB -0.050 29.755 29.762 0.072 0.000 1.355 501 H HN 0.647 8.788 8.280 -0.232 0.000 0.486 502 Q N -1.644 117.742 119.800 -0.691 0.000 2.124 502 Q HA -0.279 nan 4.340 nan 0.000 0.202 502 Q C 0.914 176.781 176.000 -0.221 0.000 0.977 502 Q CA 2.581 58.023 55.803 -0.601 0.000 0.850 502 Q CB -0.695 27.809 28.738 -0.389 0.000 0.901 502 Q HN 0.291 8.213 8.270 -0.478 0.061 0.429 503 D N -2.879 117.411 120.400 -0.183 0.000 2.352 503 D HA 0.076 nan 4.640 nan 0.000 0.236 503 D C -0.168 176.082 176.300 -0.082 0.000 1.148 503 D CA -0.679 53.246 54.000 -0.123 0.000 0.844 503 D CB -0.852 39.854 40.800 -0.158 0.000 0.933 503 D HN -0.674 7.534 8.370 -0.223 0.028 0.507 504 S N 0.338 116.016 115.700 -0.037 0.000 2.544 504 S HA -0.195 nan 4.470 nan 0.000 0.290 504 S C 0.217 174.808 174.600 -0.016 0.000 1.276 504 S CA 1.146 59.349 58.200 0.006 0.000 1.075 504 S CB 0.304 63.547 63.200 0.071 0.000 0.849 504 S HN -0.700 7.488 8.310 -0.044 0.096 0.494 505 S N 7.608 123.295 115.700 -0.022 0.000 2.727 505 S HA -0.110 nan 4.470 nan 0.000 0.226 505 S C 0.276 174.827 174.600 -0.081 0.000 0.963 505 S CA 1.542 59.726 58.200 -0.027 0.000 0.950 505 S CB -0.369 62.833 63.200 0.004 0.000 0.779 505 S HN 0.362 8.818 8.310 -0.006 -0.150 0.532 506 V N -6.675 113.132 119.914 -0.179 0.000 3.635 506 V HA 0.363 nan 4.120 nan 0.000 0.266 506 V C -0.957 175.065 176.094 -0.120 0.000 1.316 506 V CA -0.115 61.936 62.300 -0.416 0.000 1.060 506 V CB 0.812 31.995 31.823 -1.067 0.000 0.820 506 V HN -0.720 7.296 8.190 -0.122 0.101 0.447 507 T N -1.088 113.469 114.554 0.004 0.000 2.928 507 T HA 0.485 nan 4.350 nan 0.000 0.284 507 T C -0.838 173.927 174.700 0.108 0.000 1.008 507 T CA -2.022 60.142 62.100 0.107 0.000 1.057 507 T CB 1.446 70.391 68.868 0.128 0.000 1.018 507 T HN -0.714 7.514 8.240 -0.019 0.000 0.493 508 I N 3.127 123.772 120.570 0.125 0.000 2.474 508 I HA -0.052 nan 4.170 nan 0.000 0.287 508 I C -0.881 175.277 176.117 0.068 0.000 1.048 508 I CA -1.274 60.076 61.300 0.083 0.000 1.383 508 I CB 1.617 39.669 38.000 0.088 0.000 1.412 508 I HN 0.021 8.322 8.210 0.151 0.000 0.531 509 S N 7.986 123.704 115.700 0.029 0.000 2.338 509 S HA 0.004 nan 4.470 nan 0.000 0.197 509 S C 0.296 174.901 174.600 0.008 0.000 0.990 509 S CA 1.250 59.465 58.200 0.025 0.000 0.920 509 S CB 0.754 63.952 63.200 -0.004 0.000 0.903 509 S HN -0.143 8.330 8.310 0.008 -0.159 0.542 510 K N 3.031 123.407 120.400 -0.042 0.000 2.231 510 K HA 0.130 nan 4.320 nan 0.000 0.275 510 K C -0.960 175.577 176.600 -0.104 0.000 1.105 510 K CA -1.480 54.771 56.287 -0.060 0.000 0.931 510 K CB -0.241 32.216 32.500 -0.073 0.000 1.296 510 K HN -0.218 7.997 8.250 -0.058 0.000 0.446 511 V N 4.894 124.781 119.914 -0.045 0.000 3.032 511 V HA -0.085 nan 4.120 nan 0.000 0.307 511 V C -0.597 175.463 176.094 -0.056 0.000 1.097 511 V CA 0.551 62.826 62.300 -0.041 0.000 1.191 511 V CB 0.740 32.572 31.823 0.016 0.000 0.964 511 V HN -0.241 7.945 8.190 -0.006 0.000 0.494 512 R N 5.933 126.405 120.500 -0.047 0.000 2.483 512 R HA 0.283 nan 4.340 nan 0.000 0.303 512 R C -1.370 174.932 176.300 0.004 0.000 0.987 512 R CA -1.279 54.812 56.100 -0.014 0.000 0.881 512 R CB 2.127 32.436 30.300 0.015 0.000 1.177 512 R HN -0.094 8.153 8.270 -0.038 0.000 0.451 513 T N 3.926 118.484 114.554 0.007 0.000 2.868 513 T HA 0.147 nan 4.350 nan 0.000 0.292 513 T C 1.005 175.722 174.700 0.028 0.000 1.028 513 T CA -1.035 61.066 62.100 0.003 0.000 1.059 513 T CB 1.217 70.077 68.868 -0.013 0.000 0.991 513 T HN 0.154 8.399 8.240 0.008 0.000 0.531 514 F N 4.866 124.706 119.950 -0.183 0.000 2.184 514 F HA -0.433 nan 4.527 nan 0.000 0.301 514 F C 1.032 176.790 175.800 -0.071 0.000 1.076 514 F CA 3.923 61.825 58.000 -0.163 0.000 1.295 514 F CB 0.321 39.104 39.000 -0.361 0.000 1.026 514 F HN 0.376 9.042 8.300 0.071 -0.324 0.494 515 D N -2.863 117.636 120.400 0.165 0.000 2.183 515 D HA -0.178 nan 4.640 nan 0.000 0.203 515 D C 2.655 179.008 176.300 0.088 0.000 0.969 515 D CA 3.043 57.137 54.000 0.156 0.000 0.842 515 D CB -0.536 40.332 40.800 0.113 0.000 0.957 515 D HN -0.629 7.736 8.370 0.068 0.046 0.484 516 Q N -0.243 119.589 119.800 0.053 0.000 2.020 516 Q HA -0.274 nan 4.340 nan 0.000 0.202 516 Q C 2.509 178.518 176.000 0.015 0.000 0.982 516 Q CA 2.914 58.737 55.803 0.033 0.000 0.838 516 Q CB 0.073 28.831 28.738 0.033 0.000 0.899 516 Q HN -0.432 7.768 8.270 0.049 0.099 0.423 517 L N -1.605 119.607 121.223 -0.018 0.000 2.083 517 L HA -0.299 nan 4.340 nan 0.000 0.209 517 L C 2.390 179.221 176.870 -0.065 0.000 1.083 517 L CA 2.148 56.936 54.840 -0.086 0.000 0.752 517 L CB -0.648 41.278 42.059 -0.222 0.000 0.899 517 L HN -0.537 7.684 8.230 -0.014 0.000 0.433 518 G N -1.999 106.806 108.800 0.008 0.000 2.507 518 G HA2 -0.342 nan 3.960 nan 0.000 0.221 518 G HA3 -0.342 nan 3.960 nan 0.000 0.221 518 G C -0.160 174.760 174.900 0.033 0.000 1.119 518 G CA 1.412 46.549 45.100 0.061 0.000 0.751 518 G HN 0.056 8.373 8.290 0.045 0.000 0.574 519 A N 0.572 123.405 122.820 0.022 0.000 1.982 519 A HA 0.329 nan 4.320 nan 0.000 0.217 519 A C -0.462 177.114 177.584 -0.012 0.000 1.457 519 A CA 0.009 52.051 52.037 0.010 0.000 0.654 519 A CB 1.398 20.408 19.000 0.016 0.000 1.150 519 A HN -0.239 7.794 8.150 0.026 0.132 0.509 520 G N -2.211 106.580 108.800 -0.015 0.000 2.885 520 G HA2 -0.239 nan 3.960 nan 0.000 0.685 520 G HA3 -0.239 nan 3.960 nan 0.000 0.685 520 G C -1.821 173.069 174.900 -0.017 0.000 1.216 520 G CA -0.288 44.792 45.100 -0.033 0.000 0.790 520 G HN -0.367 7.922 8.290 -0.002 0.000 0.631 521 E N 2.090 122.284 120.200 -0.010 0.000 2.698 521 E HA 0.433 nan 4.350 nan 0.000 0.185 521 E C -0.750 175.847 176.600 -0.006 0.000 0.702 521 E CA -0.969 55.437 56.400 0.011 0.000 1.104 521 E CB 2.099 31.831 29.700 0.054 0.000 1.831 521 E HN 0.389 8.735 8.360 -0.023 0.000 0.370 522 G N -0.243 108.569 108.800 0.019 0.000 4.973 522 G HA2 0.104 nan 3.960 nan 0.000 0.211 522 G HA3 0.104 nan 3.960 nan 0.000 0.211 522 G C -1.535 173.388 174.900 0.039 0.000 0.784 522 G CA 0.338 45.438 45.100 0.001 0.000 0.657 522 G HN 0.220 8.536 8.290 0.043 0.000 0.480 523 V N 0.208 120.192 119.914 0.116 0.000 2.599 523 V HA 0.039 nan 4.120 nan 0.000 0.245 523 V C 0.023 176.219 176.094 0.170 0.000 1.046 523 V CA 1.790 64.186 62.300 0.160 0.000 1.065 523 V CB -0.099 31.853 31.823 0.214 0.000 0.703 523 V HN 0.484 8.765 8.190 0.151 0.000 0.464 524 S N -1.882 113.917 115.700 0.165 0.000 4.572 524 S HA 0.011 nan 4.470 nan 0.000 0.234 524 S C -1.602 172.867 174.600 -0.219 0.000 1.071 524 S CA -0.369 57.818 58.200 -0.023 0.000 1.087 524 S CB 0.637 63.827 63.200 -0.017 0.000 1.979 524 S HN -0.659 7.864 8.310 0.356 0.000 0.503 525 E N -0.122 119.913 120.200 -0.275 0.000 2.646 525 E HA 0.211 nan 4.350 nan 0.000 0.336 525 E C -1.948 174.466 176.600 -0.310 0.000 1.027 525 E CA -0.085 56.058 56.400 -0.428 0.000 0.765 525 E CB 2.702 32.209 29.700 -0.321 0.000 1.545 525 E HN 0.045 8.303 8.360 -0.170 0.000 0.382 526 D N 1.707 121.922 120.400 -0.307 0.000 3.093 526 D HA 0.244 nan 4.640 nan 0.000 0.200 526 D C -0.924 175.270 176.300 -0.177 0.000 1.344 526 D CA -1.155 52.745 54.000 -0.167 0.000 1.133 526 D CB 2.100 42.864 40.800 -0.060 0.000 1.188 526 D HN 0.023 8.105 8.370 -0.480 0.000 0.583 527 S N -0.509 115.132 115.700 -0.099 0.000 3.865 527 S HA 0.220 nan 4.470 nan 0.000 0.182 527 S C 1.329 175.873 174.600 -0.093 0.000 1.141 527 S CA 0.574 58.699 58.200 -0.124 0.000 1.257 527 S CB 1.445 64.540 63.200 -0.174 0.000 1.779 527 S HN 0.164 8.441 8.310 -0.055 0.000 0.816 528 T N 2.881 117.340 114.554 -0.157 0.000 3.007 528 T HA 0.069 nan 4.350 nan 0.000 0.270 528 T C 0.499 175.076 174.700 -0.206 0.000 1.107 528 T CA 2.918 64.883 62.100 -0.225 0.000 1.118 528 T CB -0.356 68.357 68.868 -0.258 0.000 0.889 528 T HN 0.232 8.360 8.240 -0.186 0.000 0.506 529 E N 0.350 120.494 120.200 -0.093 0.000 1.998 529 E HA -0.278 nan 4.350 nan 0.000 0.195 529 E C 1.441 178.063 176.600 0.037 0.000 0.994 529 E CA 1.454 57.851 56.400 -0.005 0.000 0.835 529 E CB -0.715 28.990 29.700 0.008 0.000 0.786 529 E HN -0.102 8.190 8.360 -0.113 0.000 0.467 530 Y N 0.173 120.443 120.300 -0.050 0.000 3.039 530 Y HA -0.482 nan 4.550 nan 0.000 0.410 530 Y C -0.801 175.093 175.900 -0.011 0.000 1.182 530 Y CA 2.178 60.254 58.100 -0.041 0.000 2.402 530 Y CB -0.456 37.959 38.460 -0.075 0.000 0.602 530 Y HN 0.205 8.563 8.280 0.130 0.000 0.584 531 C N -8.079 111.022 119.300 -0.332 0.000 3.809 531 C HA 0.326 nan 4.460 nan 0.000 0.342 531 C C -1.016 173.929 174.990 -0.074 0.000 2.837 531 C CA -1.824 56.998 59.018 -0.328 0.000 1.561 531 C CB -0.183 27.241 27.740 -0.526 0.000 3.062 531 C HN -0.262 7.837 8.230 -0.109 0.066 0.382 532 S N 0.135 115.850 115.700 0.025 0.000 2.364 532 S HA 0.161 nan 4.470 nan 0.000 0.274 532 S C -0.978 173.834 174.600 0.352 0.000 1.016 532 S CA 1.549 59.854 58.200 0.175 0.000 1.332 532 S CB 1.350 64.565 63.200 0.026 0.000 1.056 532 S HN 0.267 8.586 8.310 0.016 0.000 0.525 533 C N -0.447 119.011 119.300 0.264 0.000 2.534 533 C HA 0.347 nan 4.460 nan 0.000 0.398 533 C C -0.697 174.573 174.990 0.468 0.000 1.609 533 C CA -0.025 59.239 59.018 0.409 0.000 1.916 533 C CB 2.085 29.991 27.740 0.277 0.000 1.954 533 C HN -0.321 7.881 8.230 0.142 0.113 0.508 534 G N 0.279 109.461 108.800 0.637 0.000 2.721 534 G HA2 -0.307 nan 3.960 nan 0.000 0.686 534 G HA3 -0.307 nan 3.960 nan 0.000 0.686 534 G C -1.619 173.461 174.900 0.301 0.000 1.236 534 G CA -0.546 44.797 45.100 0.406 0.000 0.786 534 G HN -0.085 8.704 8.290 0.832 0.000 0.616 535 W N 1.885 123.165 121.300 -0.033 0.000 2.190 535 W HA 0.027 nan 4.660 nan 0.000 0.330 535 W C -1.274 175.257 176.519 0.020 0.000 1.299 535 W CA -1.892 55.422 57.345 -0.052 0.000 1.215 535 W CB 1.187 30.736 29.460 0.149 0.000 1.147 535 W HN 0.685 9.027 8.180 0.400 0.078 0.563 536 P HA -0.125 nan 4.420 nan 0.000 0.266 536 P C -0.322 176.947 177.300 -0.051 0.000 1.195 536 P CA 0.067 63.049 63.100 -0.197 0.000 0.768 536 P CB 0.439 31.861 31.700 -0.463 0.000 0.838 537 E N 5.281 125.529 120.200 0.079 0.000 2.031 537 E HA -0.437 nan 4.350 nan 0.000 0.193 537 E C 1.607 178.403 176.600 0.326 0.000 0.994 537 E CA 3.863 60.415 56.400 0.254 0.000 0.800 537 E CB -0.102 29.762 29.700 0.273 0.000 0.752 537 E HN 0.683 9.087 8.360 0.072 0.000 0.447 538 H N -5.317 113.829 119.070 0.127 0.000 2.520 538 H HA -0.192 nan 4.556 nan 0.000 0.295 538 H C 0.470 175.973 175.328 0.293 0.000 1.096 538 H CA 2.292 58.419 56.048 0.132 0.000 1.249 538 H CB -0.694 29.040 29.762 -0.047 0.000 1.365 538 H HN 0.281 8.764 8.280 0.339 0.000 0.556 539 M N -2.209 117.449 119.600 0.096 0.000 2.475 539 M HA 0.197 nan 4.480 nan 0.000 0.283 539 M C -0.400 176.150 176.300 0.417 0.000 1.165 539 M CA -2.709 52.764 55.300 0.289 0.000 0.976 539 M CB -0.862 31.885 32.600 0.245 0.000 1.428 539 M HN -0.678 7.494 8.290 -0.099 0.058 0.495 540 L N 1.057 122.495 121.223 0.357 0.000 2.131 540 L HA -0.185 nan 4.340 nan 0.000 0.210 540 L C -1.050 175.866 176.870 0.077 0.000 1.092 540 L CA 2.723 57.713 54.840 0.250 0.000 0.759 540 L CB 0.477 42.661 42.059 0.209 0.000 0.903 540 L HN -0.623 7.670 8.230 0.405 0.180 0.435 541 I N -3.588 116.953 120.570 -0.048 0.000 2.478 541 I HA 0.209 nan 4.170 nan 0.000 0.287 541 I C -2.600 173.470 176.117 -0.078 0.000 1.042 541 I CA -3.326 57.886 61.300 -0.147 0.000 1.067 541 I CB 1.868 39.643 38.000 -0.375 0.000 1.233 541 I HN -0.545 7.658 8.210 0.023 0.020 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 62.824 63.100 -0.078 0.000 0.788 542 P CB 0.682 32.319 31.700 -0.105 0.000 0.904 543 R N 1.447 121.897 120.500 -0.082 0.000 2.127 543 R HA -0.376 nan 4.340 nan 0.000 0.238 543 R C 0.809 177.082 176.300 -0.046 0.000 1.134 543 R CA 1.889 57.907 56.100 -0.136 0.000 0.975 543 R CB 0.459 30.494 30.300 -0.441 0.000 0.865 543 R HN 0.235 8.837 8.270 -0.034 -0.352 0.447 544 G N -2.149 106.655 108.800 0.006 0.000 2.561 544 G HA2 -0.432 nan 3.960 nan 0.000 0.289 544 G HA3 -0.432 nan 3.960 nan 0.000 0.289 544 G C -0.714 174.257 174.900 0.119 0.000 1.169 544 G CA 0.352 45.549 45.100 0.163 0.000 0.980 544 G HN -0.637 7.623 8.290 0.009 0.036 0.550 545 S N -0.720 115.056 115.700 0.127 0.000 2.625 545 S HA 0.241 nan 4.470 nan 0.000 0.271 545 S C -0.122 174.572 174.600 0.157 0.000 1.161 545 S CA -0.869 57.399 58.200 0.114 0.000 0.820 545 S CB 2.432 65.675 63.200 0.072 0.000 1.137 545 S HN -0.448 7.943 8.310 0.135 0.000 0.470 546 H N 4.003 123.136 119.070 0.105 0.000 2.423 546 H HA -0.173 nan 4.556 nan 0.000 0.297 546 H C -0.414 174.947 175.328 0.055 0.000 1.075 546 H CA 2.362 58.468 56.048 0.097 0.000 1.342 546 H CB 0.325 30.138 29.762 0.086 0.000 1.395 546 H HN 0.662 9.082 8.280 0.234 0.000 0.530 547 K N -5.185 115.163 120.400 -0.087 0.000 2.147 547 K HA -0.187 nan 4.320 nan 0.000 0.205 547 K C 0.396 176.944 176.600 -0.087 0.000 1.049 547 K CA 0.467 56.692 56.287 -0.104 0.000 0.936 547 K CB -0.107 32.370 32.500 -0.037 0.000 0.722 547 K HN -0.217 8.027 8.250 0.024 0.021 0.446 548 G N 0.835 109.614 108.800 -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 -1.403 173.549 174.900 0.086 0.000 1.134 548 G CA -0.599 44.512 45.100 0.019 0.000 1.049 548 G HN -0.587 7.517 8.290 -0.021 0.173 0.458 549 M N 2.574 122.275 119.600 0.168 0.000 2.283 549 M HA 0.151 nan 4.480 nan 0.000 0.314 549 M C -2.082 174.445 176.300 0.378 0.000 1.153 549 M CA -0.475 54.973 55.300 0.246 0.000 1.084 549 M CB 3.181 35.967 32.600 0.310 0.000 1.468 549 M HN 0.198 8.593 8.290 0.176 0.000 0.474 550 E N 0.679 121.046 120.200 0.278 0.000 2.224 550 E HA 0.705 nan 4.350 nan 0.000 0.265 550 E C -1.449 175.141 176.600 -0.016 0.000 0.878 550 E CA -1.142 55.377 56.400 0.198 0.000 0.759 550 E CB 2.609 32.393 29.700 0.140 0.000 1.164 550 E HN 0.144 8.596 8.360 0.153 0.000 0.414 551 F N 4.519 124.453 119.950 -0.027 0.000 2.814 551 F HA 0.702 nan 4.527 nan 0.000 0.353 551 F C -1.335 174.436 175.800 -0.048 0.000 1.177 551 F CA -1.333 56.643 58.000 -0.040 0.000 1.036 551 F CB 5.003 43.992 39.000 -0.018 0.000 1.455 551 F HN 0.818 9.273 8.300 0.258 0.000 0.520 552 E N -0.400 119.916 120.200 0.194 0.000 2.265 552 E HA 0.350 nan 4.350 nan 0.000 0.262 552 E C -2.024 174.724 176.600 0.246 0.000 0.889 552 E CA -1.344 55.128 56.400 0.120 0.000 0.789 552 E CB 3.576 33.275 29.700 -0.002 0.000 1.221 552 E HN 0.535 8.984 8.360 0.290 0.084 0.414 553 L N 8.396 129.774 121.223 0.258 0.000 2.287 553 L HA 0.371 nan 4.340 nan 0.000 0.280 553 L C -2.183 174.946 176.870 0.431 0.000 1.055 553 L CA -0.760 54.300 54.840 0.367 0.000 0.863 553 L CB 0.983 43.252 42.059 0.350 0.000 1.245 553 L HN 0.072 8.415 8.230 0.188 0.000 0.432 554 F N 8.955 129.151 119.950 0.410 0.000 2.411 554 F HA 0.512 nan 4.527 nan 0.000 0.352 554 F C -1.817 174.233 175.800 0.417 0.000 1.123 554 F CA -2.801 55.438 58.000 0.399 0.000 1.044 554 F CB 2.054 41.333 39.000 0.464 0.000 1.135 554 F HN 0.390 9.010 8.300 0.739 0.124 0.461 555 V N 8.127 128.456 119.914 0.693 0.000 2.630 555 V HA 0.642 nan 4.120 nan 0.000 0.305 555 V C -2.067 174.204 176.094 0.296 0.000 1.046 555 V CA -1.850 60.686 62.300 0.393 0.000 0.934 555 V CB 2.601 34.571 31.823 0.245 0.000 1.003 555 V HN 0.972 9.492 8.190 0.743 0.116 0.451 556 M N 3.593 123.277 119.600 0.141 0.000 2.530 556 M HA 0.740 nan 4.480 nan 0.000 0.307 556 M C -2.238 174.054 176.300 -0.013 0.000 1.161 556 M CA -1.497 53.816 55.300 0.021 0.000 0.903 556 M CB 4.437 36.969 32.600 -0.113 0.000 1.711 556 M HN 0.674 9.052 8.290 0.146 0.000 0.451 557 L N 5.195 126.413 121.223 -0.008 0.000 2.316 557 L HA 0.589 nan 4.340 nan 0.000 0.280 557 L C -1.752 174.952 176.870 -0.277 0.000 1.006 557 L CA -0.651 54.139 54.840 -0.084 0.000 0.836 557 L CB 0.851 42.989 42.059 0.132 0.000 1.221 557 L HN 0.564 8.821 8.230 0.046 0.000 0.418 558 T N 4.867 119.165 114.554 -0.427 0.000 2.937 558 T HA 0.376 nan 4.350 nan 0.000 0.283 558 T C -1.520 172.599 174.700 -0.969 0.000 1.012 558 T CA -1.647 60.112 62.100 -0.569 0.000 0.997 558 T CB 2.020 70.759 68.868 -0.214 0.000 1.136 558 T HN 0.564 8.629 8.240 -0.292 0.000 0.551 559 D N 0.390 120.347 120.400 -0.737 0.000 2.255 559 D HA 0.232 nan 4.640 nan 0.000 0.249 559 D C 0.153 176.342 176.300 -0.186 0.000 1.078 559 D CA -0.534 53.184 54.000 -0.471 0.000 0.896 559 D CB 1.793 42.564 40.800 -0.049 0.000 1.194 559 D HN 0.310 8.414 8.370 -0.444 0.000 0.429 560 H N 5.484 124.510 119.070 -0.074 0.000 2.448 560 H HA -0.092 nan 4.556 nan 0.000 0.292 560 H C 2.050 177.285 175.328 -0.155 0.000 1.035 560 H CA 3.120 59.111 56.048 -0.096 0.000 1.349 560 H CB 0.950 30.693 29.762 -0.031 0.000 1.425 560 H HN 0.341 8.643 8.280 0.183 0.087 0.539 561 D N -1.155 119.164 120.400 -0.136 0.000 2.183 561 D HA -0.180 nan 4.640 nan 0.000 0.203 561 D C 1.325 177.515 176.300 -0.183 0.000 0.969 561 D CA 3.054 56.949 54.000 -0.174 0.000 0.842 561 D CB -0.265 40.513 40.800 -0.037 0.000 0.957 561 D HN -0.042 8.606 8.370 0.052 -0.246 0.484 562 E N 0.097 120.209 120.200 -0.148 0.000 2.006 562 E HA -0.264 nan 4.350 nan 0.000 0.192 562 E C 1.134 177.593 176.600 -0.236 0.000 0.993 562 E CA 2.457 58.762 56.400 -0.159 0.000 0.808 562 E CB 0.407 30.029 29.700 -0.129 0.000 0.764 562 E HN -0.765 7.754 8.360 -0.090 -0.213 0.449 563 D N -3.152 117.067 120.400 -0.302 0.000 2.178 563 D HA -0.050 nan 4.640 nan 0.000 0.201 563 D C 0.649 176.715 176.300 -0.390 0.000 0.980 563 D CA 1.771 55.576 54.000 -0.325 0.000 0.842 563 D CB 0.588 41.217 40.800 -0.285 0.000 0.948 563 D HN -0.262 7.823 8.370 -0.289 0.111 0.472 564 T N 0.950 115.148 114.554 -0.594 0.000 2.814 564 T HA -0.003 nan 4.350 nan 0.000 0.297 564 T C 0.508 175.041 174.700 -0.279 0.000 0.956 564 T CA 0.496 62.295 62.100 -0.502 0.000 1.123 564 T CB 0.422 68.912 68.868 -0.629 0.000 0.902 564 T HN -0.388 7.353 8.240 -0.679 0.091 0.528 565 V N 4.144 123.944 119.914 -0.190 0.000 2.694 565 V HA -0.030 nan 4.120 nan 0.000 0.306 565 V C -0.762 175.259 176.094 -0.122 0.000 1.054 565 V CA -0.439 61.785 62.300 -0.128 0.000 1.161 565 V CB 0.241 32.014 31.823 -0.083 0.000 0.916 565 V HN -0.291 7.789 8.190 -0.184 0.000 0.490 566 A N 4.778 127.538 122.820 -0.100 0.000 2.303 566 A HA 0.463 nan 4.320 nan 0.000 0.317 566 A C -0.630 176.918 177.584 -0.059 0.000 1.149 566 A CA -0.211 51.776 52.037 -0.084 0.000 0.822 566 A CB 1.098 20.051 19.000 -0.079 0.000 1.131 566 A HN 0.311 8.406 8.150 -0.092 0.000 0.493 567 G N -0.051 108.719 108.800 -0.050 0.000 2.313 567 G HA2 0.014 nan 3.960 nan 0.000 0.296 567 G HA3 0.014 nan 3.960 nan 0.000 0.296 567 G C -2.282 172.599 174.900 -0.032 0.000 1.356 567 G CA -0.097 44.982 45.100 -0.035 0.000 0.833 567 G HN -0.080 8.177 8.290 -0.055 0.000 0.552 568 L N 0.511 121.720 121.223 -0.023 0.000 2.406 568 L HA 0.410 nan 4.340 nan 0.000 0.270 568 L C -0.504 176.357 176.870 -0.016 0.000 0.982 568 L CA 0.281 55.109 54.840 -0.020 0.000 0.843 568 L CB 1.390 43.439 42.059 -0.018 0.000 1.225 568 L HN 0.277 8.495 8.230 -0.020 0.000 0.412 569 S N 3.760 119.449 115.700 -0.017 0.000 3.576 569 S HA 0.163 nan 4.470 nan 0.000 0.179 569 S C -0.934 173.658 174.600 -0.014 0.000 0.977 569 S CA -0.585 57.607 58.200 -0.014 0.000 1.189 569 S CB 0.842 64.034 63.200 -0.015 0.000 1.443 569 S HN 0.547 8.845 8.310 -0.020 0.000 0.874 570 E N 0.426 120.618 120.200 -0.013 0.000 2.446 570 E HA 0.209 nan 4.350 nan 0.000 0.269 570 E C -1.667 174.927 176.600 -0.009 0.000 0.977 570 E CA -0.301 56.092 56.400 -0.012 0.000 0.854 570 E CB 1.480 31.172 29.700 -0.013 0.000 1.545 570 E HN 0.044 8.396 8.360 -0.014 0.000 0.448 571 N N -0.306 118.389 118.700 -0.008 0.000 2.250 571 N HA -0.135 nan 4.740 nan 0.000 0.256 571 N C -1.419 174.092 175.510 0.001 0.000 1.302 571 N CA 0.077 53.124 53.050 -0.004 0.000 0.894 571 N CB 0.357 38.841 38.487 -0.005 0.000 1.067 571 N HN 0.014 8.388 8.380 -0.011 0.000 0.487 572 A N -1.859 120.963 122.820 0.005 0.000 2.404 572 A HA 0.046 nan 4.320 nan 0.000 0.273 572 A C -1.390 176.200 177.584 0.010 0.000 1.144 572 A CA 0.232 52.275 52.037 0.008 0.000 0.806 572 A CB 0.450 19.456 19.000 0.010 0.000 1.080 572 A HN 0.013 8.166 8.150 0.004 0.000 0.509 573 V N 4.116 124.038 119.914 0.014 0.000 5.000 573 V HA 0.158 nan 4.120 nan 0.000 0.311 573 V C -0.523 175.591 176.094 0.034 0.000 1.608 573 V CA -0.663 61.651 62.300 0.023 0.000 0.814 573 V CB 1.933 33.763 31.823 0.013 0.000 1.241 573 V HN -0.048 8.151 8.190 0.014 0.000 0.451 574 C N 3.733 123.059 119.300 0.044 0.000 3.424 574 C HA 0.228 nan 4.460 nan 0.000 0.577 574 C C 0.186 175.200 174.990 0.041 0.000 1.086 574 C CA -0.304 58.744 59.018 0.051 0.000 1.153 574 C CB -3.332 24.446 27.740 0.063 0.000 1.411 574 C HN 0.457 8.711 8.230 0.039 0.000 0.636 575 S N 3.152 118.871 115.700 0.032 0.000 2.559 575 S HA 0.159 nan 4.470 nan 0.000 0.226 575 S C 0.708 175.328 174.600 0.033 0.000 1.000 575 S CA 1.400 59.617 58.200 0.029 0.000 0.948 575 S CB 1.297 64.504 63.200 0.013 0.000 0.870 575 S HN 0.198 8.442 8.310 0.028 0.083 0.497 576 D N 3.085 123.505 120.400 0.033 0.000 2.103 576 D HA -0.248 nan 4.640 nan 0.000 0.190 576 D C 0.247 176.571 176.300 0.040 0.000 0.997 576 D CA 3.028 57.043 54.000 0.026 0.000 0.833 576 D CB -0.215 40.596 40.800 0.019 0.000 0.961 576 D HN -0.141 8.192 8.370 0.034 0.057 0.447 577 A N -0.813 122.054 122.820 0.078 0.000 2.728 577 A HA 0.088 nan 4.320 nan 0.000 0.258 577 A C 1.265 178.931 177.584 0.137 0.000 1.454 577 A CA -0.201 51.901 52.037 0.107 0.000 1.146 577 A CB -1.299 17.818 19.000 0.194 0.000 0.985 577 A HN -0.159 8.043 8.150 0.086 0.000 0.603 578 V N -2.755 117.210 119.914 0.083 0.000 2.380 578 V HA -0.456 nan 4.120 nan 0.000 0.251 578 V C 1.463 177.667 176.094 0.182 0.000 1.063 578 V CA 2.695 65.039 62.300 0.073 0.000 1.055 578 V CB -1.139 30.651 31.823 -0.054 0.000 0.657 578 V HN 0.217 8.361 8.190 0.048 0.075 0.455 579 S N 3.069 118.889 115.700 0.200 0.000 2.363 579 S HA -0.248 nan 4.470 nan 0.000 0.218 579 S C 1.671 176.669 174.600 0.664 0.000 1.035 579 S CA 3.138 61.589 58.200 0.419 0.000 1.043 579 S CB 0.116 63.401 63.200 0.142 0.000 0.986 579 S HN 0.254 8.510 8.310 0.084 0.104 0.423 580 Y N -2.273 118.238 120.300 0.351 0.000 2.583 580 Y HA 0.049 nan 4.550 nan 0.000 0.293 580 Y C 0.098 176.304 175.900 0.511 0.000 1.157 580 Y CA -0.227 58.056 58.100 0.305 0.000 1.315 580 Y CB -0.273 38.251 38.460 0.107 0.000 1.021 580 Y HN -0.018 8.417 8.280 0.258 0.000 0.536 581 C N -4.796 114.915 119.300 0.685 0.000 3.217 581 C HA 0.348 nan 4.460 nan 0.000 0.220 581 C C -0.208 175.076 174.990 0.490 0.000 2.519 581 C CA -0.318 59.095 59.018 0.659 0.000 1.255 581 C CB 3.196 31.286 27.740 0.583 0.000 1.291 581 C HN -0.623 7.863 8.230 0.602 0.105 0.714 582 G N 0.102 109.118 108.800 0.360 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 -2.740 172.242 174.900 0.137 0.000 1.342 582 G CA -0.029 45.226 45.100 0.259 0.000 1.145 582 G HN 0.056 8.539 8.290 0.321 0.000 0.477 583 A N -0.390 122.486 122.820 0.094 0.000 2.609 583 A HA 0.236 nan 4.320 nan 0.000 0.291 583 A C -1.793 175.805 177.584 0.023 0.000 1.096 583 A CA -0.859 51.205 52.037 0.043 0.000 0.684 583 A CB 2.383 21.393 19.000 0.017 0.000 1.282 583 A HN 0.037 8.255 8.150 0.113 0.000 0.412 584 R N -0.289 120.212 120.500 0.002 0.000 2.407 584 R HA 0.093 nan 4.340 nan 0.000 0.303 584 R C -0.612 175.678 176.300 -0.016 0.000 0.981 584 R CA 0.073 56.162 56.100 -0.019 0.000 0.905 584 R CB 0.679 30.957 30.300 -0.036 0.000 1.099 584 R HN 0.477 8.749 8.270 0.004 0.000 0.459 585 D N 0.438 120.825 120.400 -0.022 0.000 2.713 585 D HA -0.314 nan 4.640 nan 0.000 0.231 585 D C -1.480 174.817 176.300 -0.004 0.000 1.173 585 D CA 1.506 55.498 54.000 -0.015 0.000 0.628 585 D CB -0.425 40.368 40.800 -0.011 0.000 1.033 585 D HN 0.258 8.606 8.370 -0.036 0.000 0.419 586 D N -2.067 118.335 120.400 0.004 0.000 2.732 586 D HA 0.241 nan 4.640 nan 0.000 0.292 586 D C -1.617 174.699 176.300 0.027 0.000 1.135 586 D CA -1.547 52.457 54.000 0.007 0.000 1.071 586 D CB 2.468 43.266 40.800 -0.002 0.000 1.457 586 D HN -0.443 7.919 8.370 0.008 0.013 0.547 587 R N -0.236 120.280 120.500 0.026 0.000 2.719 587 R HA 0.173 nan 4.340 nan 0.000 0.233 587 R C -0.927 175.422 176.300 0.081 0.000 1.257 587 R CA -0.993 55.143 56.100 0.060 0.000 1.109 587 R CB 2.032 32.358 30.300 0.042 0.000 1.447 587 R HN 0.159 8.432 8.270 0.005 0.000 0.537 588 Y N 1.456 121.766 120.300 0.017 0.000 2.637 588 Y HA 0.143 nan 4.550 nan 0.000 0.350 588 Y C -0.724 175.169 175.900 -0.012 0.000 1.069 588 Y CA -1.705 56.404 58.100 0.016 0.000 1.397 588 Y CB 0.408 38.873 38.460 0.008 0.000 1.163 588 Y HN 0.239 8.655 8.280 0.227 0.000 0.527 589 P HA -0.278 nan 4.420 nan 0.000 0.227 589 P C -1.631 175.566 177.300 -0.171 0.000 1.145 589 P CA 1.392 64.362 63.100 -0.216 0.000 0.769 589 P CB -0.104 31.464 31.700 -0.220 0.000 0.769 590 D N -3.534 116.781 120.400 -0.143 0.000 2.391 590 D HA 0.192 nan 4.640 nan 0.000 0.245 590 D C -0.512 175.793 176.300 0.010 0.000 1.069 590 D CA -2.274 51.690 54.000 -0.060 0.000 0.831 590 D CB 2.577 43.386 40.800 0.015 0.000 1.204 590 D HN -0.525 7.663 8.370 -0.109 0.116 0.503 591 K N 6.340 126.675 120.400 -0.108 0.000 2.059 591 K HA -0.348 nan 4.320 nan 0.000 0.212 591 K C 0.621 177.117 176.600 -0.174 0.000 1.050 591 K CA 1.941 58.141 56.287 -0.144 0.000 0.927 591 K CB 0.264 32.639 32.500 -0.208 0.000 0.714 591 K HN -0.077 8.079 8.250 -0.157 0.000 0.447 592 K N -2.346 117.896 120.400 -0.263 0.000 2.168 592 K HA -0.020 nan 4.320 nan 0.000 0.258 592 K C -0.092 176.387 176.600 -0.203 0.000 1.010 592 K CA -0.482 55.570 56.287 -0.391 0.000 0.929 592 K CB 0.583 32.529 32.500 -0.923 0.000 0.998 592 K HN -0.619 7.764 8.250 -0.238 -0.276 0.479 593 A N 2.161 124.889 122.820 -0.154 0.000 2.540 593 A HA -0.060 nan 4.320 nan 0.000 0.239 593 A C -0.134 177.378 177.584 -0.121 0.000 1.061 593 A CA 0.427 52.414 52.037 -0.085 0.000 0.758 593 A CB 0.481 19.515 19.000 0.057 0.000 0.991 593 A HN 0.437 8.484 8.150 -0.172 0.000 0.502 594 M N 3.473 122.845 119.600 -0.381 0.000 2.427 594 M HA -0.280 nan 4.480 nan 0.000 0.345 594 M C 0.871 176.878 176.300 -0.488 0.000 1.653 594 M CA 1.948 56.776 55.300 -0.787 0.000 1.138 594 M CB -0.575 31.067 32.600 -1.596 0.000 1.995 594 M HN 0.428 8.479 8.290 -0.398 0.000 0.459 595 G N 1.350 110.118 108.800 -0.053 0.000 3.134 595 G HA2 -0.192 nan 3.960 nan 0.000 0.195 595 G HA3 -0.192 nan 3.960 nan 0.000 0.195 595 G C -0.678 174.404 174.900 0.303 0.000 1.054 595 G CA -0.534 44.755 45.100 0.314 0.000 0.828 595 G HN -0.058 8.221 8.290 -0.018 0.000 0.462 596 F N 5.392 125.358 119.950 0.027 0.000 2.548 596 F HA -0.148 nan 4.527 nan 0.000 0.403 596 F C -1.790 173.842 175.800 -0.279 0.000 1.004 596 F CA -0.260 57.648 58.000 -0.155 0.000 1.177 596 F CB 0.838 39.737 39.000 -0.170 0.000 0.974 596 F HN -0.325 8.143 8.300 0.280 0.000 0.541 597 P HA -0.199 nan 4.420 nan 0.000 0.223 597 P C 0.037 176.781 177.300 -0.926 0.000 1.151 597 P CA 2.000 64.087 63.100 -1.689 0.000 0.787 597 P CB 0.145 30.784 31.700 -1.769 0.000 0.788 598 F N -2.285 117.409 119.950 -0.427 0.000 2.757 598 F HA 0.046 nan 4.527 nan 0.000 0.292 598 F C -0.060 175.718 175.800 -0.037 0.000 1.204 598 F CA -0.961 56.830 58.000 -0.348 0.000 1.417 598 F CB -1.971 36.604 39.000 -0.710 0.000 1.001 598 F HN 0.131 7.794 8.300 -0.837 0.134 0.508 599 D N 0.306 120.818 120.400 0.186 0.000 2.137 599 D HA -0.159 nan 4.640 nan 0.000 0.202 599 D C 0.592 177.003 176.300 0.185 0.000 0.970 599 D CA 2.440 56.597 54.000 0.262 0.000 0.837 599 D CB 0.245 41.237 40.800 0.320 0.000 0.981 599 D HN -0.079 8.270 8.370 0.139 0.105 0.475 600 R N -1.412 119.174 120.500 0.145 0.000 2.602 600 R HA 0.169 nan 4.340 nan 0.000 0.237 600 R C -1.318 174.979 176.300 -0.006 0.000 1.219 600 R CA -1.106 55.006 56.100 0.020 0.000 1.121 600 R CB 1.694 31.910 30.300 -0.140 0.000 1.408 600 R HN -0.888 7.519 8.270 0.228 0.000 0.559 601 K N -0.231 120.144 120.400 -0.042 0.000 2.401 601 K HA -0.129 nan 4.320 nan 0.000 0.278 601 K C -0.154 176.432 176.600 -0.024 0.000 1.018 601 K CA 0.885 57.154 56.287 -0.031 0.000 0.981 601 K CB 0.129 32.608 32.500 -0.035 0.000 0.933 601 K HN 0.184 8.394 8.250 -0.066 0.000 0.477 602 I N 6.745 127.289 120.570 -0.043 0.000 2.389 602 I HA -0.008 nan 4.170 nan 0.000 0.288 602 I C -0.947 175.169 176.117 -0.002 0.000 0.999 602 I CA -0.706 60.561 61.300 -0.056 0.000 1.129 602 I CB 1.061 38.919 38.000 -0.237 0.000 1.288 602 I HN 0.333 8.858 8.210 -0.041 -0.339 0.444 603 E N 6.262 126.490 120.200 0.046 0.000 2.358 603 E HA -0.116 nan 4.350 nan 0.000 0.195 603 E C -0.418 176.214 176.600 0.054 0.000 1.010 603 E CA 0.641 57.070 56.400 0.048 0.000 0.856 603 E CB 0.249 29.987 29.700 0.064 0.000 0.795 603 E HN 0.429 8.834 8.360 0.076 0.000 0.504 604 A N -2.466 120.399 122.820 0.075 0.000 2.340 604 A HA 0.203 nan 4.320 nan 0.000 0.268 604 A C 0.293 177.912 177.584 0.057 0.000 1.100 604 A CA -0.097 51.994 52.037 0.090 0.000 0.803 604 A CB 0.830 19.930 19.000 0.167 0.000 1.043 604 A HN -0.436 7.695 8.150 0.080 0.067 0.488 605 R N -1.053 119.478 120.500 0.053 0.000 2.210 605 R HA 0.006 nan 4.340 nan 0.000 0.203 605 R C 0.258 176.577 176.300 0.031 0.000 1.010 605 R CA 0.623 56.741 56.100 0.031 0.000 1.008 605 R CB 0.314 30.628 30.300 0.023 0.000 0.923 605 R HN -0.094 8.640 8.270 0.062 -0.427 0.469 606 T N -2.642 111.947 114.554 0.058 0.000 2.893 606 T HA 0.317 nan 4.350 nan 0.000 0.291 606 T C -0.635 174.145 174.700 0.134 0.000 1.028 606 T CA -1.815 60.322 62.100 0.061 0.000 0.995 606 T CB 2.788 71.676 68.868 0.034 0.000 1.051 606 T HN -0.759 7.739 8.240 0.077 -0.211 0.470 607 A N 7.770 130.676 122.820 0.143 0.000 2.093 607 A HA -0.238 nan 4.320 nan 0.000 0.222 607 A C 0.617 178.351 177.584 0.249 0.000 1.162 607 A CA 2.907 55.123 52.037 0.297 0.000 0.655 607 A CB -0.239 18.902 19.000 0.234 0.000 0.805 607 A HN 0.527 8.725 8.150 0.080 0.000 0.461 608 A N -2.418 120.466 122.820 0.107 0.000 1.929 608 A HA -0.205 nan 4.320 nan 0.000 0.216 608 A C 2.391 180.062 177.584 0.144 0.000 1.176 608 A CA 2.280 54.364 52.037 0.078 0.000 0.628 608 A CB 0.128 19.143 19.000 0.025 0.000 0.816 608 A HN -0.270 7.894 8.150 0.067 0.027 0.444 609 E N -0.140 120.161 120.200 0.169 0.000 2.153 609 E HA -0.320 nan 4.350 nan 0.000 0.194 609 E C 1.759 178.505 176.600 0.245 0.000 0.988 609 E CA 2.348 58.851 56.400 0.172 0.000 0.811 609 E CB -0.135 29.660 29.700 0.158 0.000 0.746 609 E HN -0.423 7.921 8.360 0.160 0.112 0.466 610 F N -2.645 117.398 119.950 0.156 0.000 2.699 610 F HA -0.171 nan 4.527 nan 0.000 0.298 610 F C -0.545 175.383 175.800 0.214 0.000 1.154 610 F CA 0.587 58.697 58.000 0.185 0.000 1.457 610 F CB 0.756 39.914 39.000 0.264 0.000 1.106 610 F HN -0.921 7.640 8.300 0.464 0.017 0.585 611 L N 1.132 122.506 121.223 0.252 0.000 2.530 611 L HA -0.152 nan 4.340 nan 0.000 0.273 611 L C -0.911 175.977 176.870 0.031 0.000 1.141 611 L CA 0.136 55.080 54.840 0.174 0.000 0.905 611 L CB 0.314 42.451 42.059 0.130 0.000 1.202 611 L HN -0.708 7.487 8.230 0.261 0.193 0.473 612 T N 3.577 118.114 114.554 -0.028 0.000 2.918 612 T HA 0.484 nan 4.350 nan 0.000 0.283 612 T C -0.677 174.039 174.700 0.026 0.000 1.001 612 T CA -2.939 59.140 62.100 -0.035 0.000 1.041 612 T CB -0.089 68.722 68.868 -0.095 0.000 1.028 612 T HN -0.418 7.783 8.240 -0.065 0.000 0.511 613 P HA -0.046 nan 4.420 nan 0.000 0.236 613 P C -0.991 176.347 177.300 0.064 0.000 1.172 613 P CA 1.545 64.668 63.100 0.040 0.000 0.759 613 P CB -0.403 31.309 31.700 0.020 0.000 0.843 614 N N -6.263 112.485 118.700 0.080 0.000 2.328 614 N HA 0.098 nan 4.740 nan 0.000 0.247 614 N C -1.801 173.778 175.510 0.114 0.000 1.165 614 N CA -1.022 52.104 53.050 0.127 0.000 0.873 614 N CB 0.136 38.750 38.487 0.212 0.000 1.125 614 N HN 0.194 8.534 8.380 0.056 0.074 0.513 615 M N -0.770 118.914 119.600 0.141 0.000 2.619 615 M HA 0.530 nan 4.480 nan 0.000 0.297 615 M C -1.462 175.019 176.300 0.303 0.000 1.229 615 M CA -0.353 55.108 55.300 0.269 0.000 0.860 615 M CB 5.333 38.143 32.600 0.350 0.000 1.741 615 M HN -0.003 8.210 8.290 0.123 0.150 0.462 616 G N 0.215 109.254 108.800 0.398 0.000 2.635 616 G HA2 0.223 nan 3.960 nan 0.000 0.295 616 G HA3 0.223 nan 3.960 nan 0.000 0.295 616 G C -3.000 171.937 174.900 0.063 0.000 1.359 616 G CA 0.401 45.597 45.100 0.159 0.000 1.232 616 G HN 0.236 8.933 8.290 0.678 0.000 0.597 617 L N 3.376 124.459 121.223 -0.232 0.000 2.292 617 L HA 0.577 nan 4.340 nan 0.000 0.284 617 L C -0.633 176.215 176.870 -0.038 0.000 1.065 617 L CA -0.407 54.283 54.840 -0.251 0.000 0.806 617 L CB 1.186 42.994 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 6.322 120.913 114.554 0.062 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 0.080 0.000 1.033 618 T CA -0.660 61.489 62.100 0.082 0.000 0.991 618 T CB 0.909 69.866 68.868 0.147 0.000 0.981 618 T HN 0.448 8.641 8.240 0.114 0.116 0.457 619 D N 6.196 126.617 120.400 0.036 0.000 2.371 619 D HA 0.048 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 -0.172 53.846 54.000 0.030 0.000 0.881 619 D CB 0.273 41.060 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 -3.726 116.898 120.570 0.089 0.000 2.785 620 I HA 0.483 nan 4.170 nan 0.000 0.302 620 I C -1.457 174.728 176.117 0.115 0.000 1.069 620 I CA -2.875 58.471 61.300 0.077 0.000 1.045 620 I CB 3.395 41.424 38.000 0.049 0.000 1.236 620 I HN -0.438 7.842 8.210 0.116 0.000 0.429 621 K N 1.185 121.623 120.400 0.062 0.000 2.118 621 K HA 0.748 nan 4.320 nan 0.000 0.254 621 K C -1.006 175.585 176.600 -0.015 0.000 0.961 621 K CA -2.336 54.000 56.287 0.081 0.000 0.876 621 K CB 1.818 34.346 32.500 0.046 0.000 1.077 621 K HN 0.427 8.581 8.250 0.025 0.111 0.440 622 I N 1.129 121.696 120.570 -0.004 0.000 2.498 622 I HA 0.553 nan 4.170 nan 0.000 0.290 622 I C -2.069 174.046 176.117 -0.004 0.000 1.032 622 I CA -0.974 60.264 61.300 -0.103 0.000 1.073 622 I CB 2.964 40.788 38.000 -0.293 0.000 1.251 622 I HN 0.724 9.008 8.210 0.124 0.000 0.426 623 K N 3.422 123.819 120.400 -0.005 0.000 2.471 623 K HA 0.553 nan 4.320 nan 0.000 0.252 623 K C -1.597 175.064 176.600 0.101 0.000 0.938 623 K CA -2.369 53.938 56.287 0.033 0.000 0.796 623 K CB 3.035 35.517 32.500 -0.031 0.000 1.161 623 K HN 0.509 8.739 8.250 -0.033 0.000 0.425 624 F N 6.649 126.615 119.950 0.027 0.000 2.502 624 F HA -0.046 nan 4.527 nan 0.000 0.371 624 F C -1.468 174.426 175.800 0.158 0.000 1.083 624 F CA -1.169 56.862 58.000 0.052 0.000 1.174 624 F CB 0.552 39.552 39.000 0.000 0.000 1.096 624 F HN 0.304 8.635 8.300 0.269 0.130 0.545 625 H N 10.818 129.521 119.070 -0.612 0.000 3.215 625 H HA -0.054 nan 4.556 nan 0.000 0.253 625 H C -0.304 174.376 175.328 -1.079 0.000 1.102 625 H CA 0.001 55.705 56.048 -0.574 0.000 1.482 625 H CB -0.185 29.351 29.762 -0.377 0.000 1.542 625 H HN 0.166 8.133 8.280 -0.348 0.104 0.498 626 G N 0.000 108.209 108.800 -0.985 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 44.666 45.100 -0.723 0.000 0.502 626 G HN 0.000 7.993 8.290 -0.495 0.000 0.925