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 3ixv_1_I 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 0.000 174.652 174.700 -0.081 0.000 1.109 1 T CA 0.000 62.068 62.100 -0.054 0.000 1.349 1 T CB 0.000 68.841 68.868 -0.044 0.000 0.612 2 V N 2.103 121.958 119.914 -0.098 0.000 2.343 2 V HA -0.158 nan 4.120 nan 0.000 0.247 2 V C 1.383 177.412 176.094 -0.108 0.000 1.051 2 V CA 2.648 64.867 62.300 -0.135 0.000 1.036 2 V CB -0.158 31.589 31.823 -0.127 0.000 0.654 2 V HN 0.517 8.658 8.190 -0.082 0.000 0.451 3 A N -1.506 121.270 122.820 -0.073 0.000 1.972 3 A HA -0.347 nan 4.320 nan 0.000 0.219 3 A C 1.007 178.565 177.584 -0.043 0.000 1.169 3 A CA 3.156 55.160 52.037 -0.055 0.000 0.635 3 A CB -0.910 18.065 19.000 -0.042 0.000 0.810 3 A HN 0.091 8.201 8.150 -0.067 0.000 0.446 4 D N -2.103 118.273 120.400 -0.040 0.000 2.117 4 D HA -0.233 nan 4.640 nan 0.000 0.198 4 D C 2.082 178.372 176.300 -0.016 0.000 0.982 4 D CA 3.210 57.197 54.000 -0.022 0.000 0.828 4 D CB -0.250 40.540 40.800 -0.017 0.000 0.967 4 D HN -0.057 8.165 8.370 -0.047 0.120 0.464 5 K N 0.035 120.409 120.400 -0.044 0.000 2.074 5 K HA -0.450 nan 4.320 nan 0.000 0.209 5 K C 2.386 178.976 176.600 -0.017 0.000 1.048 5 K CA 3.026 59.287 56.287 -0.042 0.000 0.926 5 K CB -0.120 32.249 32.500 -0.220 0.000 0.713 5 K HN -0.437 7.773 8.250 -0.068 0.000 0.444 6 Q N -1.835 117.936 119.800 -0.048 0.000 2.045 6 Q HA -0.350 nan 4.340 nan 0.000 0.206 6 Q C 2.352 178.334 176.000 -0.030 0.000 0.991 6 Q CA 2.978 58.756 55.803 -0.043 0.000 0.851 6 Q CB -0.402 28.308 28.738 -0.048 0.000 0.911 6 Q HN -0.217 7.934 8.270 -0.069 0.078 0.418 7 A N -2.642 120.169 122.820 -0.014 0.000 2.019 7 A HA -0.235 nan 4.320 nan 0.000 0.219 7 A C 1.004 178.586 177.584 -0.003 0.000 1.164 7 A CA 2.298 54.333 52.037 -0.002 0.000 0.644 7 A CB -0.635 18.366 19.000 0.000 0.000 0.805 7 A HN -0.467 7.587 8.150 -0.017 0.086 0.449 8 R N -3.383 117.120 120.500 0.006 0.000 2.062 8 R HA -0.136 nan 4.340 nan 0.000 0.226 8 R C 2.370 178.648 176.300 -0.037 0.000 1.125 8 R CA 2.586 58.694 56.100 0.012 0.000 0.966 8 R CB 0.281 30.619 30.300 0.064 0.000 0.861 8 R HN -0.695 7.574 8.270 0.015 0.011 0.433 9 L N -0.234 120.951 121.223 -0.063 0.000 2.083 9 L HA -0.359 nan 4.340 nan 0.000 0.209 9 L C 2.167 178.696 176.870 -0.568 0.000 1.083 9 L CA 3.436 58.108 54.840 -0.280 0.000 0.752 9 L CB -0.255 41.666 42.059 -0.231 0.000 0.899 9 L HN -0.340 7.887 8.230 -0.005 0.000 0.433 10 M N -1.825 117.618 119.600 -0.262 0.000 2.067 10 M HA -0.252 nan 4.480 nan 0.000 0.260 10 M C -1.324 174.976 176.300 -0.000 0.000 1.069 10 M CA 6.178 61.437 55.300 -0.068 0.000 1.117 10 M CB -2.437 30.266 32.600 0.173 0.000 1.334 10 M HN 0.069 8.253 8.290 -0.146 0.018 0.407 11 P HA -0.166 nan 4.420 nan 0.000 0.234 11 P C 0.344 177.629 177.300 -0.024 0.000 1.167 11 P CA 1.974 65.054 63.100 -0.033 0.000 0.763 11 P CB -0.770 30.907 31.700 -0.038 0.000 0.835 12 L N -3.647 117.538 121.223 -0.064 0.000 2.056 12 L HA -0.317 nan 4.340 nan 0.000 0.207 12 L C 2.079 179.101 176.870 0.254 0.000 1.078 12 L CA 2.868 57.728 54.840 0.034 0.000 0.749 12 L CB -0.106 41.969 42.059 0.026 0.000 0.901 12 L HN -0.527 7.495 8.230 -0.144 0.122 0.433 13 F N -4.094 115.957 119.950 0.168 0.000 2.335 13 F HA -0.076 nan 4.527 nan 0.000 0.296 13 F C 0.606 176.469 175.800 0.106 0.000 1.091 13 F CA -1.639 56.478 58.000 0.195 0.000 1.399 13 F CB -0.821 38.328 39.000 0.247 0.000 1.067 13 F HN -0.584 7.624 8.300 -0.154 0.000 0.520 14 K N 0.750 121.279 120.400 0.215 0.000 2.405 14 K HA -0.384 nan 4.320 nan 0.000 0.273 14 K C -0.356 176.292 176.600 0.080 0.000 1.116 14 K CA 1.915 58.244 56.287 0.069 0.000 1.155 14 K CB -0.386 32.054 32.500 -0.100 0.000 0.858 14 K HN -0.115 8.248 8.250 0.189 0.000 0.477 15 H N 0.431 119.503 119.070 0.004 0.000 2.931 15 H HA -0.207 nan 4.556 nan 0.000 0.290 15 H C 1.077 176.408 175.328 0.005 0.000 1.264 15 H CA -0.325 55.721 56.048 -0.003 0.000 1.140 15 H CB -2.737 27.034 29.762 0.016 0.000 1.343 15 H HN 0.750 9.169 8.280 0.231 0.000 0.403 16 L N -2.192 119.099 121.223 0.114 0.000 2.201 16 L HA -0.605 nan 4.340 nan 0.000 0.233 16 L C 1.729 178.633 176.870 0.055 0.000 1.115 16 L CA 3.651 58.539 54.840 0.081 0.000 0.840 16 L CB -1.878 40.272 42.059 0.152 0.000 0.924 16 L HN -0.441 7.850 8.230 0.101 0.000 0.450 17 T N -2.248 112.355 114.554 0.082 0.000 2.635 17 T HA -0.375 nan 4.350 nan 0.000 0.267 17 T C 2.177 176.897 174.700 0.033 0.000 1.040 17 T CA 3.677 65.814 62.100 0.062 0.000 1.156 17 T CB -0.436 68.469 68.868 0.063 0.000 0.863 17 T HN -0.144 8.119 8.240 0.100 0.037 0.430 18 A N -0.039 122.804 122.820 0.038 0.000 2.208 18 A HA 0.053 nan 4.320 nan 0.000 0.209 18 A C 0.739 178.327 177.584 0.007 0.000 1.161 18 A CA 1.948 54.000 52.037 0.024 0.000 0.782 18 A CB -0.639 18.385 19.000 0.041 0.000 0.816 18 A HN -0.233 7.929 8.150 0.062 0.025 0.477 19 L N -3.923 117.298 121.223 -0.004 0.000 2.509 19 L HA 0.034 nan 4.340 nan 0.000 0.222 19 L C -0.488 176.346 176.870 -0.060 0.000 1.123 19 L CA -0.192 54.625 54.840 -0.038 0.000 0.856 19 L CB 0.418 42.441 42.059 -0.059 0.000 0.985 19 L HN -0.735 7.321 8.230 0.008 0.178 0.456 20 T N -0.741 113.787 114.554 -0.043 0.000 3.568 20 T HA -0.033 nan 4.350 nan 0.000 0.406 20 T C -0.163 174.522 174.700 -0.026 0.000 1.191 20 T CA -0.053 62.025 62.100 -0.037 0.000 1.041 20 T CB 0.107 68.965 68.868 -0.016 0.000 1.593 20 T HN -0.696 7.420 8.240 -0.027 0.107 0.529 21 R N 1.567 122.057 120.500 -0.016 0.000 2.717 21 R HA -0.351 nan 4.340 nan 0.000 0.298 21 R C -0.560 175.725 176.300 -0.024 0.000 0.971 21 R CA 0.793 56.883 56.100 -0.016 0.000 0.773 21 R CB -0.251 30.041 30.300 -0.014 0.000 2.073 21 R HN 0.359 8.623 8.270 -0.010 0.000 0.494 22 E N 2.113 122.300 120.200 -0.022 0.000 2.114 22 E HA -0.294 nan 4.350 nan 0.000 0.199 22 E C 0.010 176.595 176.600 -0.026 0.000 1.008 22 E CA 0.903 57.287 56.400 -0.027 0.000 0.810 22 E CB -0.630 29.058 29.700 -0.019 0.000 0.739 22 E HN 0.034 8.385 8.360 -0.016 0.000 0.456 23 K N -1.010 119.379 120.400 -0.018 0.000 4.007 23 K HA -0.400 nan 4.320 nan 0.000 0.279 23 K C -1.681 174.910 176.600 -0.014 0.000 0.919 23 K CA 0.749 57.027 56.287 -0.015 0.000 0.800 23 K CB -1.495 30.995 32.500 -0.017 0.000 1.572 23 K HN -0.145 8.097 8.250 -0.015 0.000 0.443 24 L N 2.470 123.687 121.223 -0.011 0.000 2.620 24 L HA 0.330 nan 4.340 nan 0.000 0.261 24 L C -2.001 174.867 176.870 -0.004 0.000 0.978 24 L CA -1.863 52.973 54.840 -0.007 0.000 0.897 24 L CB 1.346 43.401 42.059 -0.008 0.000 1.207 24 L HN 0.040 8.264 8.230 -0.010 0.000 0.425 25 P HA -0.148 nan 4.420 nan 0.000 0.220 25 P C -1.200 176.100 177.300 0.000 0.000 1.144 25 P CA 1.302 64.402 63.100 -0.001 0.000 0.800 25 P CB 0.279 31.980 31.700 0.000 0.000 0.772 26 L N -0.017 121.206 121.223 0.001 0.000 2.333 26 L HA 0.247 nan 4.340 nan 0.000 0.280 26 L C 0.765 177.636 176.870 0.002 0.000 1.004 26 L CA -1.141 53.700 54.840 0.002 0.000 0.820 26 L CB 2.155 44.216 42.059 0.003 0.000 1.247 26 L HN -0.716 7.451 8.230 0.001 0.063 0.416 27 D N 3.831 124.232 120.400 0.002 0.000 2.144 27 D HA -0.368 nan 4.640 nan 0.000 0.199 27 D C 1.187 177.488 176.300 0.003 0.000 0.984 27 D CA 2.926 56.927 54.000 0.002 0.000 0.834 27 D CB -0.559 40.243 40.800 0.002 0.000 0.955 27 D HN 0.517 8.889 8.370 0.002 0.000 0.465 28 Q N -1.408 118.395 119.800 0.004 0.000 2.291 28 Q HA -0.267 nan 4.340 nan 0.000 0.206 28 Q C 1.855 177.859 176.000 0.006 0.000 0.976 28 Q CA 2.268 58.073 55.803 0.005 0.000 0.875 28 Q CB -1.124 27.617 28.738 0.005 0.000 0.927 28 Q HN 0.279 8.537 8.270 0.003 0.014 0.450 29 R N -0.947 119.557 120.500 0.006 0.000 2.119 29 R HA -0.261 nan 4.340 nan 0.000 0.246 29 R C 1.599 177.905 176.300 0.010 0.000 1.146 29 R CA 2.358 58.463 56.100 0.008 0.000 0.962 29 R CB -0.189 30.116 30.300 0.007 0.000 0.863 29 R HN -0.564 7.546 8.270 0.005 0.163 0.442 30 D N -0.307 120.097 120.400 0.007 0.000 2.639 30 D HA 0.291 nan 4.640 nan 0.000 0.233 30 D C -0.183 176.121 176.300 0.008 0.000 1.161 30 D CA -0.802 53.203 54.000 0.008 0.000 1.003 30 D CB -1.583 39.218 40.800 0.003 0.000 1.034 30 D HN -0.589 7.768 8.370 0.005 0.016 0.514 31 E N 1.781 121.986 120.200 0.009 0.000 2.160 31 E HA -0.322 nan 4.350 nan 0.000 0.195 31 E C 1.887 178.493 176.600 0.010 0.000 0.991 31 E CA 3.128 59.533 56.400 0.009 0.000 0.810 31 E CB -0.272 29.433 29.700 0.009 0.000 0.742 31 E HN -0.364 7.938 8.360 0.011 0.065 0.466 32 R N -1.910 118.597 120.500 0.012 0.000 2.154 32 R HA -0.245 nan 4.340 nan 0.000 0.248 32 R C 1.345 177.650 176.300 0.009 0.000 1.155 32 R CA 2.240 58.347 56.100 0.012 0.000 0.979 32 R CB -0.338 29.971 30.300 0.015 0.000 0.869 32 R HN 0.263 8.525 8.270 0.013 0.015 0.452 33 L N -4.860 116.367 121.223 0.007 0.000 2.808 33 L HA 0.345 nan 4.340 nan 0.000 0.246 33 L C 0.044 176.917 176.870 0.005 0.000 1.153 33 L CA -0.803 54.040 54.840 0.005 0.000 0.956 33 L CB 0.348 42.409 42.059 0.002 0.000 1.270 33 L HN -0.146 7.933 8.230 0.007 0.156 0.528 34 K N 1.069 121.472 120.400 0.006 0.000 2.286 34 K HA -0.291 nan 4.320 nan 0.000 0.203 34 K C 1.440 178.044 176.600 0.006 0.000 1.045 34 K CA 2.608 58.899 56.287 0.006 0.000 0.935 34 K CB -1.098 31.406 32.500 0.006 0.000 0.737 34 K HN -0.275 7.833 8.250 0.007 0.147 0.460 35 G N -2.185 106.618 108.800 0.006 0.000 2.464 35 G HA2 -0.116 nan 3.960 nan 0.000 0.217 35 G HA3 -0.116 nan 3.960 nan 0.000 0.217 35 G C -0.980 173.923 174.900 0.005 0.000 1.138 35 G CA 0.104 45.208 45.100 0.007 0.000 0.793 35 G HN 0.053 8.293 8.290 0.007 0.054 0.539 36 V N -1.098 118.818 119.914 0.004 0.000 4.876 36 V HA 0.352 nan 4.120 nan 0.000 0.280 36 V C -1.170 174.926 176.094 0.002 0.000 1.427 36 V CA -1.893 60.408 62.300 0.003 0.000 0.805 36 V CB 1.596 33.421 31.823 0.003 0.000 1.337 36 V HN -0.264 7.775 8.190 0.005 0.154 0.439 37 G N -0.317 108.485 108.800 0.004 0.000 2.303 37 G HA2 -0.335 nan 3.960 nan 0.000 0.260 37 G HA3 -0.335 nan 3.960 nan 0.000 0.260 37 G C -0.780 174.121 174.900 0.002 0.000 1.106 37 G CA 0.741 45.843 45.100 0.005 0.000 0.900 37 G HN 0.370 8.663 8.290 0.006 0.000 0.495 38 I N -2.268 118.302 120.570 -0.000 0.000 4.228 38 I HA 0.186 nan 4.170 nan 0.000 0.298 38 I C -1.024 175.086 176.117 -0.010 0.000 1.206 38 I CA 0.561 61.854 61.300 -0.012 0.000 1.322 38 I CB 1.251 39.234 38.000 -0.028 0.000 1.411 38 I HN -0.010 8.203 8.210 0.004 0.000 0.454 39 L N 3.411 124.637 121.223 0.006 0.000 2.262 39 L HA 0.530 nan 4.340 nan 0.000 0.288 39 L C -2.663 174.245 176.870 0.063 0.000 1.035 39 L CA -3.089 51.774 54.840 0.037 0.000 0.820 39 L CB 0.527 42.636 42.059 0.083 0.000 1.204 39 L HN -0.524 7.713 8.230 0.013 0.000 0.424 40 P HA 0.063 nan 4.420 nan 0.000 0.270 40 P C 0.240 177.584 177.300 0.072 0.000 1.227 40 P CA -0.032 63.100 63.100 0.053 0.000 0.788 40 P CB 0.620 32.348 31.700 0.046 0.000 0.926 41 R N 1.800 122.334 120.500 0.056 0.000 2.082 41 R HA -0.328 nan 4.340 nan 0.000 0.234 41 R C 2.582 178.925 176.300 0.072 0.000 1.136 41 R CA 3.339 59.475 56.100 0.059 0.000 0.935 41 R CB -0.840 29.482 30.300 0.037 0.000 0.842 41 R HN 0.548 8.843 8.270 0.043 0.000 0.430 42 G N -1.426 107.410 108.800 0.060 0.000 2.432 42 G HA2 -0.178 nan 3.960 nan 0.000 0.219 42 G HA3 -0.178 nan 3.960 nan 0.000 0.219 42 G C -0.070 174.868 174.900 0.064 0.000 1.135 42 G CA 0.479 45.612 45.100 0.056 0.000 0.767 42 G HN 0.330 8.651 8.290 0.052 0.000 0.550 43 T N -0.305 114.298 114.554 0.081 0.000 2.906 43 T HA -0.213 nan 4.350 nan 0.000 0.320 43 T C -0.286 174.475 174.700 0.102 0.000 1.088 43 T CA -0.231 61.926 62.100 0.094 0.000 1.120 43 T CB 0.835 69.775 68.868 0.121 0.000 1.000 43 T HN -0.816 7.425 8.240 0.084 0.049 0.550 44 L N 0.607 121.873 121.223 0.071 0.000 2.397 44 L HA 0.170 nan 4.340 nan 0.000 0.271 44 L C 0.101 177.009 176.870 0.064 0.000 1.148 44 L CA -0.147 54.726 54.840 0.055 0.000 0.825 44 L CB 0.481 42.541 42.059 0.001 0.000 1.117 44 L HN 0.080 8.349 8.230 0.064 0.000 0.456 45 F N 3.589 123.507 119.950 -0.054 0.000 2.404 45 F HA 0.066 nan 4.527 nan 0.000 0.339 45 F C -1.098 174.562 175.800 -0.233 0.000 1.105 45 F CA -0.988 56.937 58.000 -0.125 0.000 1.087 45 F CB 2.313 41.318 39.000 0.008 0.000 1.143 45 F HN -0.134 8.310 8.300 0.240 0.000 0.491 46 S N 5.615 120.481 115.700 -1.390 0.000 2.437 46 S HA 0.159 nan 4.470 nan 0.000 0.305 46 S C 0.153 174.143 174.600 -1.017 0.000 1.109 46 S CA -1.347 56.320 58.200 -0.888 0.000 1.099 46 S CB 1.508 64.296 63.200 -0.686 0.000 1.004 46 S HN -0.124 6.839 8.310 -2.245 0.000 0.475 47 C N 7.003 125.956 119.300 -0.577 0.000 2.450 47 C HA 0.067 nan 4.460 nan 0.000 0.279 47 C C 0.667 175.170 174.990 -0.811 0.000 1.335 47 C CA 1.472 60.109 59.018 -0.634 0.000 1.749 47 C CB -0.315 26.985 27.740 -0.734 0.000 1.963 47 C HN 0.152 8.166 8.230 -0.361 0.000 0.501 48 F N -4.788 115.008 119.950 -0.256 0.000 2.219 48 F HA -0.074 nan 4.527 nan 0.000 0.294 48 F C -0.067 175.544 175.800 -0.314 0.000 1.086 48 F CA 1.741 59.599 58.000 -0.238 0.000 1.330 48 F CB 0.092 38.971 39.000 -0.202 0.000 1.047 48 F HN -0.930 7.116 8.300 -0.379 0.026 0.495 49 H N 0.335 119.265 119.070 -0.233 0.000 2.897 49 H HA -0.075 nan 4.556 nan 0.000 0.347 49 H C 0.647 175.833 175.328 -0.237 0.000 1.068 49 H CA 0.223 56.104 56.048 -0.278 0.000 1.426 49 H CB 2.034 31.786 29.762 -0.016 0.000 1.410 49 H HN -0.701 7.536 8.280 -0.073 0.000 0.597 50 A N 6.838 129.272 122.820 -0.644 0.000 1.877 50 A HA -0.293 nan 4.320 nan 0.000 0.216 50 A C 1.632 179.196 177.584 -0.034 0.000 1.186 50 A CA 3.594 55.447 52.037 -0.306 0.000 0.620 50 A CB -0.089 18.731 19.000 -0.301 0.000 0.822 50 A HN 0.706 8.063 8.150 -1.322 0.000 0.443 51 R N -2.323 118.291 120.500 0.188 0.000 2.096 51 R HA -0.339 nan 4.340 nan 0.000 0.235 51 R C 2.373 178.674 176.300 0.002 0.000 1.127 51 R CA 3.035 59.201 56.100 0.110 0.000 0.968 51 R CB -0.907 29.438 30.300 0.075 0.000 0.861 51 R HN -0.549 7.887 8.270 0.278 0.000 0.440 52 H N -0.064 119.034 119.070 0.047 0.000 2.353 52 H HA -0.170 nan 4.556 nan 0.000 0.300 52 H C 2.578 177.913 175.328 0.011 0.000 1.090 52 H CA 3.759 59.760 56.048 -0.078 0.000 1.327 52 H CB 0.109 29.536 29.762 -0.558 0.000 1.383 52 H HN -0.639 7.796 8.280 0.293 0.021 0.508 53 L N -1.318 119.939 121.223 0.057 0.000 2.083 53 L HA -0.368 nan 4.340 nan 0.000 0.209 53 L C 1.899 178.811 176.870 0.070 0.000 1.083 53 L CA 2.770 57.632 54.840 0.037 0.000 0.752 53 L CB -0.632 41.403 42.059 -0.040 0.000 0.899 53 L HN -0.200 7.948 8.230 0.029 0.099 0.433 54 A N -0.908 121.941 122.820 0.049 0.000 1.902 54 A HA -0.386 nan 4.320 nan 0.000 0.217 54 A C 2.097 179.708 177.584 0.045 0.000 1.181 54 A CA 3.362 55.425 52.037 0.044 0.000 0.623 54 A CB -1.112 17.904 19.000 0.027 0.000 0.818 54 A HN 0.299 8.376 8.150 0.035 0.093 0.443 55 E N -1.276 118.953 120.200 0.049 0.000 2.077 55 E HA -0.405 nan 4.350 nan 0.000 0.193 55 E C 2.368 178.957 176.600 -0.018 0.000 0.989 55 E CA 2.835 59.254 56.400 0.031 0.000 0.800 55 E CB -0.098 29.641 29.700 0.066 0.000 0.746 55 E HN -0.484 7.911 8.360 0.059 0.000 0.452 56 A N -1.357 121.454 122.820 -0.014 0.000 1.902 56 A HA -0.261 nan 4.320 nan 0.000 0.217 56 A C 2.071 179.396 177.584 -0.432 0.000 1.181 56 A CA 3.362 55.231 52.037 -0.279 0.000 0.623 56 A CB -0.863 17.984 19.000 -0.256 0.000 0.818 56 A HN -0.053 8.089 8.150 0.104 0.071 0.443 57 T N -0.233 114.360 114.554 0.065 0.000 2.746 57 T HA -0.310 nan 4.350 nan 0.000 0.267 57 T C 1.765 176.590 174.700 0.209 0.000 1.039 57 T CA 4.522 66.862 62.100 0.399 0.000 1.142 57 T CB -0.478 68.543 68.868 0.254 0.000 0.866 57 T HN 0.122 8.340 8.240 0.097 0.081 0.444 58 E N 1.622 121.856 120.200 0.056 0.000 2.077 58 E HA -0.271 nan 4.350 nan 0.000 0.193 58 E C 1.937 178.546 176.600 0.014 0.000 0.989 58 E CA 2.819 59.241 56.400 0.036 0.000 0.800 58 E CB -0.578 29.130 29.700 0.012 0.000 0.746 58 E HN -0.352 7.941 8.360 0.033 0.087 0.452 59 L N -1.321 119.851 121.223 -0.085 0.000 2.046 59 L HA -0.390 nan 4.340 nan 0.000 0.208 59 L C 2.311 179.151 176.870 -0.051 0.000 1.077 59 L CA 3.198 57.969 54.840 -0.115 0.000 0.747 59 L CB -0.263 41.656 42.059 -0.234 0.000 0.896 59 L HN -0.224 7.820 8.230 -0.139 0.103 0.432 60 Y N -3.108 117.239 120.300 0.078 0.000 2.181 60 Y HA -0.446 nan 4.550 nan 0.000 0.288 60 Y C 2.291 178.353 175.900 0.270 0.000 1.146 60 Y CA 4.154 62.360 58.100 0.176 0.000 1.164 60 Y CB -1.166 37.487 38.460 0.323 0.000 0.982 60 Y HN -0.285 7.750 8.280 -0.254 0.092 0.515 61 V N -4.269 115.869 119.914 0.374 0.000 2.332 61 V HA -0.442 nan 4.120 nan 0.000 0.248 61 V C 1.603 177.825 176.094 0.213 0.000 1.055 61 V CA 3.608 66.068 62.300 0.266 0.000 1.038 61 V CB -1.609 30.282 31.823 0.115 0.000 0.651 61 V HN 0.109 8.483 8.190 0.317 0.006 0.450 62 A N 0.314 123.211 122.820 0.129 0.000 1.902 62 A HA -0.272 nan 4.320 nan 0.000 0.217 62 A C 1.914 179.544 177.584 0.076 0.000 1.181 62 A CA 3.066 55.148 52.037 0.075 0.000 0.623 62 A CB -0.922 18.092 19.000 0.024 0.000 0.818 62 A HN -0.620 7.501 8.150 0.110 0.096 0.443 63 L N -2.358 118.902 121.223 0.062 0.000 2.046 63 L HA -0.400 nan 4.340 nan 0.000 0.208 63 L C 2.222 179.148 176.870 0.093 0.000 1.077 63 L CA 3.174 58.032 54.840 0.031 0.000 0.747 63 L CB -0.689 41.373 42.059 0.006 0.000 0.896 63 L HN -0.488 7.698 8.230 0.080 0.092 0.432 64 Y N -2.658 117.753 120.300 0.185 0.000 2.181 64 Y HA -0.414 nan 4.550 nan 0.000 0.288 64 Y C 2.918 178.884 175.900 0.110 0.000 1.146 64 Y CA 3.349 61.534 58.100 0.141 0.000 1.164 64 Y CB -0.438 38.057 38.460 0.058 0.000 0.982 64 Y HN 0.325 8.587 8.280 0.282 0.187 0.515 65 G N -2.465 106.473 108.800 0.229 0.000 2.448 65 G HA2 -0.314 nan 3.960 nan 0.000 0.219 65 G HA3 -0.314 nan 3.960 nan 0.000 0.219 65 G C -0.439 174.534 174.900 0.121 0.000 1.127 65 G CA 0.187 45.373 45.100 0.143 0.000 0.766 65 G HN -0.039 8.187 8.290 0.235 0.205 0.552 66 A N 1.044 123.942 122.820 0.130 0.000 2.580 66 A HA -0.171 nan 4.320 nan 0.000 0.244 66 A C -0.174 177.480 177.584 0.118 0.000 1.045 66 A CA 0.096 52.204 52.037 0.118 0.000 0.761 66 A CB 0.112 19.209 19.000 0.161 0.000 0.962 66 A HN -0.636 7.447 8.150 0.144 0.154 0.512 67 K N 3.519 123.972 120.400 0.089 0.000 2.026 67 K HA -0.260 nan 4.320 nan 0.000 0.208 67 K C -0.714 175.943 176.600 0.096 0.000 1.048 67 K CA 2.328 58.664 56.287 0.081 0.000 0.929 67 K CB 0.364 32.899 32.500 0.058 0.000 0.713 67 K HN 0.340 8.808 8.250 0.075 -0.173 0.439 68 D N -6.368 114.096 120.400 0.107 0.000 2.636 68 D HA 0.133 nan 4.640 nan 0.000 0.275 68 D C -0.498 175.907 176.300 0.175 0.000 1.130 68 D CA -1.352 52.730 54.000 0.136 0.000 1.031 68 D CB 0.854 41.726 40.800 0.119 0.000 1.451 68 D HN -0.665 7.764 8.370 0.099 0.000 0.505 69 F N 0.379 120.378 119.950 0.081 0.000 2.134 69 F HA -0.408 nan 4.527 nan 0.000 0.299 69 F C 0.657 176.569 175.800 0.185 0.000 1.097 69 F CA 4.225 62.282 58.000 0.095 0.000 1.264 69 F CB 0.558 39.566 39.000 0.014 0.000 1.001 69 F HN -0.002 8.545 8.300 0.311 -0.061 0.479 70 N N -1.716 117.110 118.700 0.210 0.000 2.120 70 N HA -0.425 nan 4.740 nan 0.000 0.188 70 N C 2.135 177.688 175.510 0.072 0.000 1.024 70 N CA 3.330 56.462 53.050 0.138 0.000 0.852 70 N CB -1.095 37.468 38.487 0.126 0.000 1.003 70 N HN -0.033 8.482 8.380 0.246 0.012 0.424 71 D N 0.476 120.919 120.400 0.072 0.000 2.144 71 D HA -0.229 nan 4.640 nan 0.000 0.199 71 D C 1.768 178.096 176.300 0.045 0.000 0.984 71 D CA 2.648 56.685 54.000 0.061 0.000 0.834 71 D CB -0.146 40.688 40.800 0.057 0.000 0.955 71 D HN -0.050 8.546 8.370 0.092 -0.170 0.465 72 F N 1.587 121.437 119.950 -0.166 0.000 2.102 72 F HA -0.336 nan 4.527 nan 0.000 0.298 72 F C 1.697 177.343 175.800 -0.257 0.000 1.105 72 F CA 3.402 61.245 58.000 -0.261 0.000 1.239 72 F CB 0.295 38.989 39.000 -0.509 0.000 0.991 72 F HN -0.164 8.121 8.300 0.106 0.078 0.474 73 I N -2.195 118.280 120.570 -0.158 0.000 2.226 73 I HA -0.555 nan 4.170 nan 0.000 0.245 73 I C 1.915 177.968 176.117 -0.106 0.000 1.100 73 I CA 2.580 63.806 61.300 -0.123 0.000 1.374 73 I CB -1.750 36.249 38.000 -0.002 0.000 1.057 73 I HN 0.222 8.265 8.210 -0.145 0.080 0.413 74 H N 1.507 120.511 119.070 -0.110 0.000 2.293 74 H HA -0.315 nan 4.556 nan 0.000 0.300 74 H C 2.223 177.491 175.328 -0.099 0.000 1.082 74 H CA 4.555 60.558 56.048 -0.075 0.000 1.308 74 H CB 0.347 30.083 29.762 -0.043 0.000 1.375 74 H HN -0.348 7.902 8.280 0.080 0.078 0.495 75 L N -1.689 119.508 121.223 -0.043 0.000 2.083 75 L HA -0.288 nan 4.340 nan 0.000 0.209 75 L C 1.699 178.463 176.870 -0.177 0.000 1.083 75 L CA 3.072 57.856 54.840 -0.094 0.000 0.752 75 L CB -0.684 41.334 42.059 -0.069 0.000 0.899 75 L HN -0.122 8.105 8.230 -0.004 0.000 0.433 76 C N -0.212 118.929 119.300 -0.265 0.000 2.413 76 C HA -0.492 nan 4.460 nan 0.000 0.276 76 C C 1.641 176.606 174.990 -0.041 0.000 1.236 76 C CA 4.096 63.029 59.018 -0.142 0.000 1.735 76 C CB -1.990 25.585 27.740 -0.275 0.000 2.031 76 C HN -0.205 7.791 8.230 -0.366 0.014 0.474 77 E N -0.359 119.763 120.200 -0.131 0.000 2.049 77 E HA -0.553 nan 4.350 nan 0.000 0.198 77 E C 2.407 178.892 176.600 -0.192 0.000 1.007 77 E CA 3.447 59.758 56.400 -0.148 0.000 0.809 77 E CB -0.291 29.299 29.700 -0.182 0.000 0.749 77 E HN 0.119 8.195 8.360 -0.175 0.179 0.450 78 Q N -1.446 118.202 119.800 -0.254 0.000 2.172 78 Q HA -0.206 nan 4.340 nan 0.000 0.200 78 Q C 2.313 178.230 176.000 -0.138 0.000 0.964 78 Q CA 2.460 58.136 55.803 -0.211 0.000 0.855 78 Q CB 0.226 28.802 28.738 -0.270 0.000 0.918 78 Q HN -0.524 7.543 8.270 -0.338 0.000 0.444 79 A N -0.263 122.494 122.820 -0.105 0.000 1.930 79 A HA -0.266 nan 4.320 nan 0.000 0.217 79 A C 1.716 179.254 177.584 -0.076 0.000 1.175 79 A CA 2.821 54.830 52.037 -0.047 0.000 0.627 79 A CB -0.804 18.207 19.000 0.017 0.000 0.815 79 A HN 0.386 8.275 8.150 -0.114 0.193 0.443 80 R N -2.339 118.037 120.500 -0.208 0.000 2.127 80 R HA -0.429 nan 4.340 nan 0.000 0.238 80 R C 1.834 177.945 176.300 -0.314 0.000 1.134 80 R CA 3.518 59.288 56.100 -0.549 0.000 0.975 80 R CB -0.096 29.643 30.300 -0.935 0.000 0.865 80 R HN -0.142 8.028 8.270 -0.168 0.000 0.447 81 Q N -4.151 115.527 119.800 -0.202 0.000 2.124 81 Q HA -0.261 nan 4.340 nan 0.000 0.202 81 Q C 1.274 177.224 176.000 -0.084 0.000 0.977 81 Q CA 2.401 58.127 55.803 -0.127 0.000 0.850 81 Q CB 0.110 28.789 28.738 -0.098 0.000 0.901 81 Q HN -0.649 7.476 8.270 -0.193 0.029 0.429 82 I N -4.544 115.984 120.570 -0.070 0.000 2.927 82 I HA -0.020 nan 4.170 nan 0.000 0.268 82 I C -0.492 175.615 176.117 -0.016 0.000 1.153 82 I CA 0.087 61.367 61.300 -0.035 0.000 1.459 82 I CB 2.207 40.192 38.000 -0.026 0.000 1.149 82 I HN -0.558 7.471 8.210 -0.082 0.131 0.443 83 V N -4.452 115.456 119.914 -0.011 0.000 3.264 83 V HA 0.153 nan 4.120 nan 0.000 0.304 83 V C -0.828 175.287 176.094 0.034 0.000 1.086 83 V CA -2.053 60.260 62.300 0.021 0.000 1.090 83 V CB 0.115 31.965 31.823 0.045 0.000 1.112 83 V HN -0.471 7.702 8.190 -0.028 0.000 0.472 84 N N 0.129 118.867 118.700 0.062 0.000 2.492 84 N HA -0.141 nan 4.740 nan 0.000 0.260 84 N C 1.261 176.823 175.510 0.087 0.000 1.215 84 N CA 0.092 53.193 53.050 0.085 0.000 0.923 84 N CB 1.143 39.715 38.487 0.142 0.000 1.092 84 N HN 0.059 8.480 8.380 0.067 0.000 0.448 85 E N 3.159 123.423 120.200 0.105 0.000 2.106 85 E HA -0.320 nan 4.350 nan 0.000 0.192 85 E C 1.716 178.436 176.600 0.200 0.000 0.984 85 E CA 2.990 59.485 56.400 0.160 0.000 0.806 85 E CB -0.855 28.956 29.700 0.184 0.000 0.750 85 E HN 0.285 8.705 8.360 0.099 0.000 0.458 86 G N -0.323 108.545 108.800 0.114 0.000 2.418 86 G HA2 -0.305 nan 3.960 nan 0.000 0.217 86 G HA3 -0.305 nan 3.960 nan 0.000 0.217 86 G C 1.126 175.890 174.900 -0.225 0.000 1.158 86 G CA 1.579 46.706 45.100 0.045 0.000 0.771 86 G HN -0.325 8.093 8.290 0.121 -0.056 0.545 87 M N 2.713 122.012 119.600 -0.502 0.000 2.159 87 M HA -0.357 nan 4.480 nan 0.000 0.263 87 M C 0.869 176.951 176.300 -0.364 0.000 1.063 87 M CA 3.303 58.063 55.300 -0.900 0.000 1.110 87 M CB 0.062 32.349 32.600 -0.522 0.000 1.374 87 M HN 0.102 8.603 8.290 -0.220 -0.343 0.411 88 F N -0.596 119.215 119.950 -0.231 0.000 2.102 88 F HA -0.404 nan 4.527 nan 0.000 0.298 88 F C 1.108 176.816 175.800 -0.153 0.000 1.105 88 F CA 4.211 62.114 58.000 -0.160 0.000 1.239 88 F CB -0.080 38.864 39.000 -0.093 0.000 0.991 88 F HN -0.362 7.893 8.300 0.076 0.091 0.474 89 V N -0.269 119.614 119.914 -0.052 0.000 2.407 89 V HA -0.468 nan 4.120 nan 0.000 0.248 89 V C 1.020 177.022 176.094 -0.154 0.000 1.055 89 V CA 4.014 66.213 62.300 -0.168 0.000 1.049 89 V CB -1.003 30.943 31.823 0.205 0.000 0.662 89 V HN 0.018 8.326 8.190 0.197 0.000 0.455 90 Y N 0.531 120.739 120.300 -0.153 0.000 2.145 90 Y HA -0.475 nan 4.550 nan 0.000 0.286 90 Y C 1.338 177.138 175.900 -0.167 0.000 1.145 90 Y CA 3.776 61.786 58.100 -0.149 0.000 1.148 90 Y CB -0.318 37.957 38.460 -0.309 0.000 0.981 90 Y HN -0.427 7.755 8.280 0.008 0.103 0.507 91 A N -1.675 121.068 122.820 -0.129 0.000 1.898 91 A HA -0.366 nan 4.320 nan 0.000 0.216 91 A C 2.125 179.647 177.584 -0.104 0.000 1.181 91 A CA 3.142 55.004 52.037 -0.293 0.000 0.620 91 A CB -0.649 18.043 19.000 -0.512 0.000 0.819 91 A HN 0.188 8.183 8.150 -0.258 0.000 0.442 92 V N -4.516 115.152 119.914 -0.411 0.000 2.358 92 V HA -0.388 nan 4.120 nan 0.000 0.246 92 V C 1.831 177.862 176.094 -0.105 0.000 1.047 92 V CA 3.861 65.961 62.300 -0.334 0.000 1.035 92 V CB -1.291 30.067 31.823 -0.775 0.000 0.658 92 V HN 0.165 7.957 8.190 -0.664 0.000 0.452 93 S N 0.226 115.807 115.700 -0.198 0.000 2.382 93 S HA -0.276 nan 4.470 nan 0.000 0.228 93 S C 1.886 176.448 174.600 -0.063 0.000 1.027 93 S CA 3.457 61.522 58.200 -0.225 0.000 0.991 93 S CB -0.302 62.741 63.200 -0.263 0.000 0.823 93 S HN -0.305 7.842 8.310 -0.271 0.000 0.469 94 V N 1.283 121.293 119.914 0.160 0.000 2.343 94 V HA -0.395 nan 4.120 nan 0.000 0.247 94 V C 1.909 178.278 176.094 0.458 0.000 1.051 94 V CA 4.006 66.545 62.300 0.399 0.000 1.036 94 V CB -1.057 31.093 31.823 0.546 0.000 0.654 94 V HN -0.447 7.846 8.190 0.170 0.000 0.451 95 A N -0.724 122.239 122.820 0.238 0.000 1.902 95 A HA -0.291 nan 4.320 nan 0.000 0.217 95 A C 1.854 179.425 177.584 -0.022 0.000 1.181 95 A CA 3.561 55.541 52.037 -0.094 0.000 0.623 95 A CB -0.821 18.208 19.000 0.047 0.000 0.818 95 A HN -0.252 7.970 8.150 0.247 0.076 0.443 96 V N -0.143 119.798 119.914 0.045 0.000 2.407 96 V HA -0.385 nan 4.120 nan 0.000 0.248 96 V C 1.372 177.499 176.094 0.055 0.000 1.055 96 V CA 4.037 66.344 62.300 0.012 0.000 1.049 96 V CB -0.871 30.978 31.823 0.044 0.000 0.662 96 V HN 0.069 8.310 8.190 0.085 0.000 0.455 97 L N -2.250 119.038 121.223 0.108 0.000 2.005 97 L HA -0.386 nan 4.340 nan 0.000 0.207 97 L C 1.527 178.326 176.870 -0.118 0.000 1.072 97 L CA 3.023 57.900 54.840 0.062 0.000 0.744 97 L CB 0.149 42.220 42.059 0.020 0.000 0.895 97 L HN -0.304 7.907 8.230 0.113 0.086 0.433 98 H N -4.489 114.729 119.070 0.246 0.000 2.384 98 H HA -0.058 nan 4.556 nan 0.000 0.300 98 H C 0.331 175.817 175.328 0.264 0.000 1.057 98 H CA 2.664 58.899 56.048 0.311 0.000 1.370 98 H CB 0.740 30.838 29.762 0.559 0.000 1.417 98 H HN -0.435 8.077 8.280 0.387 0.000 0.527 99 R N 0.513 121.186 120.500 0.289 0.000 2.351 99 R HA -0.223 nan 4.340 nan 0.000 0.318 99 R C 0.912 177.260 176.300 0.081 0.000 1.055 99 R CA 0.552 56.750 56.100 0.163 0.000 0.968 99 R CB 0.194 30.460 30.300 -0.055 0.000 0.974 99 R HN 0.083 8.457 8.270 0.174 0.000 0.439 100 E N 5.389 125.649 120.200 0.100 0.000 2.219 100 E HA -0.372 nan 4.350 nan 0.000 0.198 100 E C 0.255 176.866 176.600 0.017 0.000 0.998 100 E CA 3.139 59.573 56.400 0.057 0.000 0.818 100 E CB -0.363 29.376 29.700 0.064 0.000 0.741 100 E HN 0.473 8.918 8.360 0.142 0.000 0.477 101 D N -2.145 118.273 120.400 0.030 0.000 2.264 101 D HA -0.131 nan 4.640 nan 0.000 0.208 101 D C 1.175 177.384 176.300 -0.152 0.000 0.966 101 D CA 2.084 56.075 54.000 -0.015 0.000 0.864 101 D CB -0.469 40.429 40.800 0.164 0.000 0.933 101 D HN -0.065 8.301 8.370 0.058 0.039 0.499 102 C N -0.236 118.998 119.300 -0.109 0.000 2.319 102 C HA 0.125 nan 4.460 nan 0.000 0.350 102 C C -0.607 174.323 174.990 -0.101 0.000 1.326 102 C CA -1.296 57.636 59.018 -0.144 0.000 1.737 102 C CB -2.116 25.582 27.740 -0.070 0.000 1.988 102 C HN 0.139 8.177 8.230 -0.046 0.165 0.582 103 K N 1.028 121.371 120.400 -0.095 0.000 2.298 103 K HA -0.066 nan 4.320 nan 0.000 0.280 103 K C 0.796 177.349 176.600 -0.079 0.000 1.032 103 K CA 0.831 57.077 56.287 -0.069 0.000 0.958 103 K CB 0.395 32.861 32.500 -0.057 0.000 0.978 103 K HN -0.689 7.497 8.250 -0.106 0.000 0.472 104 G N 4.575 113.340 108.800 -0.059 0.000 2.184 104 G HA2 -0.298 nan 3.960 nan 0.000 0.264 104 G HA3 -0.298 nan 3.960 nan 0.000 0.264 104 G C -0.054 174.811 174.900 -0.058 0.000 0.975 104 G CA 0.452 45.517 45.100 -0.059 0.000 0.642 104 G HN 0.523 8.784 8.290 -0.048 0.000 0.536 105 I N 2.790 123.328 120.570 -0.053 0.000 2.276 105 I HA 0.104 nan 4.170 nan 0.000 0.290 105 I C -0.760 175.380 176.117 0.038 0.000 1.109 105 I CA -1.259 60.022 61.300 -0.032 0.000 1.229 105 I CB -0.859 37.100 38.000 -0.069 0.000 1.452 105 I HN -0.623 7.487 8.210 -0.058 0.064 0.497 106 T N 7.234 121.808 114.554 0.033 0.000 2.788 106 T HA -0.137 nan 4.350 nan 0.000 0.333 106 T C -0.721 174.035 174.700 0.093 0.000 1.090 106 T CA 0.898 63.051 62.100 0.088 0.000 1.094 106 T CB 0.381 69.249 68.868 -0.000 0.000 0.999 106 T HN -0.378 7.818 8.240 -0.005 0.041 0.549 107 V N 3.217 123.226 119.914 0.158 0.000 2.716 107 V HA 0.208 nan 4.120 nan 0.000 0.304 107 V C -1.693 174.374 176.094 -0.044 0.000 1.053 107 V CA -2.977 59.379 62.300 0.093 0.000 0.984 107 V CB 0.091 31.907 31.823 -0.011 0.000 1.021 107 V HN -0.007 8.381 8.190 0.329 0.000 0.467 108 P HA -0.033 nan 4.420 nan 0.000 0.257 108 P C -2.306 174.802 177.300 -0.319 0.000 1.153 108 P CA -0.478 62.276 63.100 -0.576 0.000 0.762 108 P CB -0.013 31.673 31.700 -0.024 0.000 0.743 109 P HA -0.014 nan 4.420 nan 0.000 0.264 109 P C 0.824 178.091 177.300 -0.055 0.000 1.193 109 P CA -0.013 63.009 63.100 -0.130 0.000 0.763 109 P CB 0.491 32.094 31.700 -0.161 0.000 0.810 110 I N 0.015 120.572 120.570 -0.021 0.000 2.208 110 I HA -0.565 nan 4.170 nan 0.000 0.245 110 I C 1.304 177.388 176.117 -0.055 0.000 1.097 110 I CA 4.236 65.495 61.300 -0.068 0.000 1.363 110 I CB -0.211 37.629 38.000 -0.267 0.000 1.051 110 I HN 0.386 8.644 8.210 0.079 0.000 0.413 111 Q N -0.387 119.100 119.800 -0.522 0.000 2.084 111 Q HA -0.348 nan 4.340 nan 0.000 0.202 111 Q C 1.648 177.453 176.000 -0.324 0.000 0.978 111 Q CA 3.452 58.488 55.803 -1.278 0.000 0.844 111 Q CB -0.971 26.952 28.738 -1.358 0.000 0.898 111 Q HN 0.296 8.309 8.270 -0.415 0.008 0.426 112 E N -2.067 118.082 120.200 -0.085 0.000 2.107 112 E HA -0.217 nan 4.350 nan 0.000 0.191 112 E C 1.932 178.674 176.600 0.236 0.000 0.982 112 E CA 2.321 58.826 56.400 0.174 0.000 0.809 112 E CB 0.311 30.245 29.700 0.390 0.000 0.756 112 E HN -0.571 7.592 8.360 -0.113 0.129 0.459 113 V N -4.781 115.240 119.914 0.177 0.000 2.307 113 V HA -0.180 nan 4.120 nan 0.000 0.245 113 V C 0.463 176.347 176.094 -0.350 0.000 1.045 113 V CA 2.487 64.766 62.300 -0.036 0.000 1.024 113 V CB 0.109 31.848 31.823 -0.139 0.000 0.651 113 V HN -0.092 7.969 8.190 0.123 0.203 0.449 114 F N -2.156 117.892 119.950 0.164 0.000 2.449 114 F HA 0.628 nan 4.527 nan 0.000 0.344 114 F C -1.278 174.694 175.800 0.287 0.000 1.180 114 F CA -3.139 54.973 58.000 0.186 0.000 1.209 114 F CB 0.429 39.517 39.000 0.145 0.000 1.440 114 F HN -0.112 8.233 8.300 0.251 0.105 0.526 115 P HA -0.222 nan 4.420 nan 0.000 0.220 115 P C 0.192 177.701 177.300 0.349 0.000 1.148 115 P CA 2.568 65.853 63.100 0.308 0.000 0.803 115 P CB -0.149 31.660 31.700 0.181 0.000 0.782 116 D N -3.566 117.016 120.400 0.304 0.000 2.178 116 D HA -0.275 nan 4.640 nan 0.000 0.202 116 D C 1.514 177.952 176.300 0.229 0.000 0.974 116 D CA 2.692 56.836 54.000 0.241 0.000 0.841 116 D CB -1.033 39.893 40.800 0.210 0.000 0.953 116 D HN 0.492 9.005 8.370 0.330 0.055 0.478 117 R N -2.226 118.414 120.500 0.233 0.000 2.115 117 R HA -0.199 nan 4.340 nan 0.000 0.226 117 R C 1.472 177.632 176.300 -0.233 0.000 1.100 117 R CA 2.151 58.247 56.100 -0.006 0.000 0.980 117 R CB -0.726 29.478 30.300 -0.159 0.000 0.875 117 R HN -0.486 7.976 8.270 0.350 0.018 0.445 118 F N -2.559 117.430 119.950 0.064 0.000 2.234 118 F HA -0.075 nan 4.527 nan 0.000 0.296 118 F C -0.253 175.558 175.800 0.017 0.000 1.089 118 F CA 2.245 60.251 58.000 0.009 0.000 1.343 118 F CB 0.738 39.726 39.000 -0.020 0.000 1.040 118 F HN -0.799 7.652 8.300 0.480 0.137 0.498 119 V N -7.544 112.504 119.914 0.223 0.000 2.919 119 V HA 0.469 nan 4.120 nan 0.000 0.316 119 V C -2.811 173.373 176.094 0.150 0.000 1.077 119 V CA -4.526 57.878 62.300 0.173 0.000 0.977 119 V CB 0.171 32.103 31.823 0.182 0.000 1.039 119 V HN -0.564 7.777 8.190 0.252 0.000 0.441 120 P HA 0.127 nan 4.420 nan 0.000 0.272 120 P C -0.658 176.721 177.300 0.132 0.000 1.230 120 P CA -0.757 62.425 63.100 0.136 0.000 0.788 120 P CB 0.769 32.536 31.700 0.112 0.000 0.949 121 A N 1.758 124.661 122.820 0.139 0.000 1.933 121 A HA -0.364 nan 4.320 nan 0.000 0.218 121 A C 1.932 179.575 177.584 0.098 0.000 1.175 121 A CA 3.455 55.564 52.037 0.119 0.000 0.628 121 A CB -0.468 18.605 19.000 0.121 0.000 0.814 121 A HN 0.218 8.468 8.150 0.166 0.000 0.444 122 E N -2.449 117.807 120.200 0.093 0.000 2.051 122 E HA -0.403 nan 4.350 nan 0.000 0.192 122 E C 2.240 178.884 176.600 0.073 0.000 0.991 122 E CA 3.357 59.801 56.400 0.074 0.000 0.799 122 E CB -0.796 28.939 29.700 0.059 0.000 0.748 122 E HN 0.278 8.691 8.360 0.102 0.007 0.449 123 T N -0.396 114.209 114.554 0.085 0.000 3.055 123 T HA -0.007 nan 4.350 nan 0.000 0.265 123 T C 2.394 177.146 174.700 0.087 0.000 1.111 123 T CA 2.459 64.611 62.100 0.087 0.000 1.118 123 T CB -0.749 68.180 68.868 0.102 0.000 0.909 123 T HN 0.136 8.431 8.240 0.092 0.000 0.501 124 I N 3.175 123.800 120.570 0.092 0.000 2.110 124 I HA -0.533 nan 4.170 nan 0.000 0.236 124 I C 0.989 177.144 176.117 0.064 0.000 1.068 124 I CA 4.287 65.638 61.300 0.084 0.000 1.333 124 I CB -0.166 37.890 38.000 0.093 0.000 1.054 124 I HN -0.350 7.785 8.210 0.098 0.134 0.402 125 N N -0.802 117.934 118.700 0.060 0.000 2.244 125 N HA -0.297 nan 4.740 nan 0.000 0.183 125 N C 2.460 177.996 175.510 0.043 0.000 1.016 125 N CA 3.466 56.543 53.050 0.046 0.000 0.866 125 N CB 0.289 38.801 38.487 0.043 0.000 0.980 125 N HN 0.036 8.456 8.380 0.067 0.000 0.430 126 R N -0.761 119.768 120.500 0.049 0.000 2.094 126 R HA -0.383 nan 4.340 nan 0.000 0.239 126 R C 1.774 178.102 176.300 0.047 0.000 1.137 126 R CA 3.517 59.645 56.100 0.047 0.000 0.943 126 R CB -0.329 30.001 30.300 0.051 0.000 0.850 126 R HN 0.358 8.661 8.270 0.055 0.000 0.433 127 A N -1.519 121.332 122.820 0.051 0.000 1.883 127 A HA -0.301 nan 4.320 nan 0.000 0.217 127 A C 2.386 179.994 177.584 0.041 0.000 1.186 127 A CA 3.052 55.118 52.037 0.049 0.000 0.624 127 A CB -0.861 18.173 19.000 0.056 0.000 0.822 127 A HN -0.506 7.678 8.150 0.057 0.000 0.444 128 N N -2.031 116.690 118.700 0.034 0.000 2.120 128 N HA -0.333 nan 4.740 nan 0.000 0.188 128 N C 2.200 177.721 175.510 0.018 0.000 1.024 128 N CA 2.845 55.907 53.050 0.020 0.000 0.852 128 N CB -0.563 37.932 38.487 0.013 0.000 1.003 128 N HN -0.049 8.354 8.380 0.040 0.000 0.424 129 K N 1.073 121.488 120.400 0.025 0.000 2.057 129 K HA -0.342 nan 4.320 nan 0.000 0.207 129 K C 2.129 178.749 176.600 0.033 0.000 1.049 129 K CA 3.448 59.749 56.287 0.024 0.000 0.931 129 K CB -0.005 32.512 32.500 0.029 0.000 0.714 129 K HN 0.192 8.252 8.250 0.031 0.208 0.440 130 E N -1.272 118.955 120.200 0.046 0.000 2.153 130 E HA -0.348 nan 4.350 nan 0.000 0.194 130 E C 2.290 178.926 176.600 0.061 0.000 0.988 130 E CA 2.797 59.236 56.400 0.064 0.000 0.811 130 E CB -0.255 29.481 29.700 0.060 0.000 0.746 130 E HN 0.074 8.371 8.360 0.043 0.089 0.466 131 A N -1.137 121.708 122.820 0.041 0.000 1.877 131 A HA -0.220 nan 4.320 nan 0.000 0.216 131 A C 1.523 179.118 177.584 0.019 0.000 1.186 131 A CA 3.180 55.236 52.037 0.032 0.000 0.620 131 A CB -0.485 18.526 19.000 0.018 0.000 0.822 131 A HN -0.209 7.875 8.150 0.036 0.088 0.443 132 S N -1.954 113.748 115.700 0.003 0.000 2.395 132 S HA -0.150 nan 4.470 nan 0.000 0.225 132 S C 1.651 176.228 174.600 -0.037 0.000 1.027 132 S CA 2.089 60.278 58.200 -0.019 0.000 0.965 132 S CB 0.359 63.544 63.200 -0.026 0.000 0.812 132 S HN -0.417 7.896 8.310 0.005 0.000 0.482 133 N N 1.196 119.884 118.700 -0.019 0.000 2.025 133 N HA -0.231 nan 4.740 nan 0.000 0.194 133 N C 0.179 175.539 175.510 -0.249 0.000 1.044 133 N CA 2.542 55.542 53.050 -0.083 0.000 0.851 133 N CB 0.592 39.120 38.487 0.068 0.000 1.036 133 N HN -0.034 8.123 8.380 0.019 0.234 0.422 134 H N -1.981 117.091 119.070 0.004 0.000 2.906 134 H HA 0.333 nan 4.556 nan 0.000 0.324 134 H C -2.402 172.929 175.328 0.004 0.000 0.973 134 H CA -2.278 53.772 56.048 0.004 0.000 1.321 134 H CB 1.398 31.163 29.762 0.005 0.000 1.535 134 H HN -0.601 7.764 8.280 0.141 0.000 0.518 135 P HA -0.011 nan 4.420 nan 0.000 0.271 135 P C -1.653 175.688 177.300 0.069 0.000 1.220 135 P CA -0.097 63.034 63.100 0.052 0.000 0.768 135 P CB 0.480 32.191 31.700 0.017 0.000 0.848 136 D N 2.890 123.325 120.400 0.057 0.000 2.751 136 D HA -0.024 nan 4.640 nan 0.000 0.236 136 D C -0.050 176.275 176.300 0.042 0.000 1.196 136 D CA -0.027 54.002 54.000 0.048 0.000 0.741 136 D CB 1.462 42.292 40.800 0.049 0.000 1.474 136 D HN -0.411 7.991 8.370 0.053 0.000 0.452 137 Q N 1.414 121.234 119.800 0.034 0.000 2.224 137 Q HA -0.200 nan 4.340 nan 0.000 0.203 137 Q C -0.052 175.964 176.000 0.028 0.000 0.970 137 Q CA 2.174 57.996 55.803 0.033 0.000 0.865 137 Q CB 0.250 29.002 28.738 0.023 0.000 0.922 137 Q HN 0.137 8.425 8.270 0.029 0.000 0.445 138 Q N -1.465 118.349 119.800 0.022 0.000 2.352 138 Q HA -0.237 nan 4.340 nan 0.000 0.326 138 Q C -0.867 175.144 176.000 0.018 0.000 1.135 138 Q CA 0.908 56.720 55.803 0.014 0.000 1.000 138 Q CB 0.444 29.187 28.738 0.008 0.000 1.237 138 Q HN -0.264 8.161 8.270 0.023 -0.141 0.409 139 S N 2.450 118.156 115.700 0.010 0.000 2.592 139 S HA 0.354 nan 4.470 nan 0.000 0.271 139 S C -0.745 173.864 174.600 0.014 0.000 1.326 139 S CA 0.078 58.284 58.200 0.011 0.000 1.024 139 S CB 0.784 63.986 63.200 0.002 0.000 0.921 139 S HN 0.106 8.419 8.310 0.005 0.000 0.527 140 I N 2.455 123.038 120.570 0.020 0.000 2.474 140 I HA 0.326 nan 4.170 nan 0.000 0.294 140 I C -2.132 173.998 176.117 0.021 0.000 1.005 140 I CA -0.544 60.771 61.300 0.024 0.000 1.113 140 I CB 2.461 40.483 38.000 0.035 0.000 1.289 140 I HN 0.120 8.343 8.210 0.021 0.000 0.436 141 V N 6.686 126.611 119.914 0.019 0.000 2.656 141 V HA 0.661 nan 4.120 nan 0.000 0.307 141 V C -1.712 174.397 176.094 0.025 0.000 1.051 141 V CA -1.767 60.543 62.300 0.017 0.000 0.893 141 V CB 2.347 34.172 31.823 0.004 0.000 0.999 141 V HN 0.131 8.333 8.190 0.020 0.000 0.426 142 V N 7.643 127.577 119.914 0.033 0.000 2.588 142 V HA 0.393 nan 4.120 nan 0.000 0.304 142 V C -1.910 174.213 176.094 0.047 0.000 1.042 142 V CA -1.208 61.119 62.300 0.044 0.000 0.877 142 V CB 3.555 35.412 31.823 0.057 0.000 0.996 142 V HN 0.606 8.816 8.190 0.034 0.000 0.425 143 E N 6.375 126.606 120.200 0.051 0.000 2.052 143 E HA 0.178 nan 4.350 nan 0.000 0.283 143 E C 0.261 176.923 176.600 0.104 0.000 1.071 143 E CA -1.055 55.385 56.400 0.066 0.000 0.851 143 E CB 0.697 30.442 29.700 0.076 0.000 1.066 143 E HN 0.476 8.866 8.360 0.049 0.000 0.396 144 A N 8.125 131.022 122.820 0.129 0.000 2.070 144 A HA -0.191 nan 4.320 nan 0.000 0.220 144 A C 0.932 178.622 177.584 0.175 0.000 1.159 144 A CA 2.538 54.669 52.037 0.156 0.000 0.656 144 A CB -0.467 18.652 19.000 0.198 0.000 0.800 144 A HN 0.814 8.938 8.150 0.119 0.097 0.453 145 E N -2.096 118.240 120.200 0.226 0.000 2.233 145 E HA -0.241 nan 4.350 nan 0.000 0.199 145 E C 0.038 176.724 176.600 0.144 0.000 1.004 145 E CA 1.103 57.643 56.400 0.234 0.000 0.819 145 E CB 0.132 30.005 29.700 0.288 0.000 0.738 145 E HN 0.094 8.559 8.360 0.242 0.041 0.478 146 E N -3.438 116.824 120.200 0.103 0.000 6.574 146 E HA -0.289 nan 4.350 nan 0.000 0.171 146 E C -1.077 175.544 176.600 0.035 0.000 1.464 146 E CA 0.843 57.278 56.400 0.059 0.000 2.498 146 E CB -0.032 29.692 29.700 0.040 0.000 1.837 146 E HN -0.245 8.142 8.360 0.110 0.039 0.466 147 T N -0.363 114.195 114.554 0.007 0.000 3.172 147 T HA 0.589 nan 4.350 nan 0.000 0.320 147 T C -1.157 173.520 174.700 -0.038 0.000 1.085 147 T CA 0.035 62.127 62.100 -0.013 0.000 1.052 147 T CB 2.022 70.886 68.868 -0.007 0.000 1.107 147 T HN 0.477 8.717 8.240 0.000 0.000 0.458 148 G N 2.159 110.916 108.800 -0.072 0.000 2.632 148 G HA2 0.378 nan 3.960 nan 0.000 0.292 148 G HA3 0.378 nan 3.960 nan 0.000 0.292 148 G C -2.283 172.546 174.900 -0.118 0.000 1.465 148 G CA -0.552 44.494 45.100 -0.090 0.000 0.824 148 G HN 0.287 8.527 8.290 -0.084 0.000 0.509 149 N N 0.194 118.837 118.700 -0.093 0.000 2.497 149 N HA 0.069 nan 4.740 nan 0.000 0.268 149 N C -0.077 175.351 175.510 -0.138 0.000 1.171 149 N CA -0.387 52.607 53.050 -0.093 0.000 0.948 149 N CB 0.886 39.342 38.487 -0.053 0.000 1.069 149 N HN -0.042 8.296 8.380 -0.069 0.000 0.460 150 I N 6.333 126.805 120.570 -0.163 0.000 2.682 150 I HA 0.019 nan 4.170 nan 0.000 0.302 150 I C -0.186 175.871 176.117 -0.099 0.000 1.180 150 I CA -0.314 60.835 61.300 -0.251 0.000 1.146 150 I CB -0.418 37.365 38.000 -0.361 0.000 1.756 150 I HN 0.421 8.560 8.210 -0.120 0.000 0.559 151 L N 2.191 123.386 121.223 -0.047 0.000 2.131 151 L HA -0.214 nan 4.340 nan 0.000 0.210 151 L C 0.373 177.263 176.870 0.034 0.000 1.092 151 L CA 1.829 56.668 54.840 -0.001 0.000 0.759 151 L CB -0.433 41.631 42.059 0.009 0.000 0.903 151 L HN -0.143 8.053 8.230 -0.056 0.000 0.435 152 D N -1.888 118.552 120.400 0.067 0.000 2.232 152 D HA 0.302 nan 4.640 nan 0.000 0.242 152 D C -0.912 175.473 176.300 0.141 0.000 1.093 152 D CA -2.990 51.074 54.000 0.107 0.000 0.845 152 D CB 1.097 41.980 40.800 0.137 0.000 1.124 152 D HN -0.617 7.755 8.370 0.062 0.036 0.467 153 P HA -0.149 nan 4.420 nan 0.000 0.225 153 P C 0.679 178.057 177.300 0.129 0.000 1.148 153 P CA 1.457 64.624 63.100 0.111 0.000 0.779 153 P CB 0.212 31.953 31.700 0.069 0.000 0.780 154 E N -0.379 119.906 120.200 0.141 0.000 2.265 154 E HA -0.281 nan 4.350 nan 0.000 0.196 154 E C 1.609 178.292 176.600 0.140 0.000 0.996 154 E CA 2.217 58.695 56.400 0.130 0.000 0.832 154 E CB -0.603 29.193 29.700 0.160 0.000 0.756 154 E HN -0.400 8.264 8.360 0.144 -0.219 0.491 155 Y N 0.737 121.092 120.300 0.093 0.000 2.256 155 Y HA -0.392 nan 4.550 nan 0.000 0.288 155 Y C 1.589 177.542 175.900 0.088 0.000 1.155 155 Y CA 3.385 61.545 58.100 0.100 0.000 1.203 155 Y CB 0.074 38.584 38.460 0.083 0.000 0.980 155 Y HN -0.088 8.222 8.280 0.312 0.157 0.530 156 K N -2.159 118.331 120.400 0.151 0.000 2.103 156 K HA -0.340 nan 4.320 nan 0.000 0.207 156 K C 2.337 178.946 176.600 0.015 0.000 1.048 156 K CA 2.313 58.675 56.287 0.126 0.000 0.930 156 K CB -0.846 31.726 32.500 0.120 0.000 0.716 156 K HN -0.250 7.965 8.250 0.199 0.154 0.444 157 L N -2.294 118.844 121.223 -0.142 0.000 2.376 157 L HA -0.165 nan 4.340 nan 0.000 0.219 157 L C 1.459 178.052 176.870 -0.461 0.000 1.133 157 L CA 1.386 55.999 54.840 -0.378 0.000 0.816 157 L CB -0.845 41.082 42.059 -0.219 0.000 0.933 157 L HN -0.446 7.609 8.230 -0.068 0.134 0.449 158 S N 0.905 116.407 115.700 -0.330 0.000 2.402 158 S HA -0.397 nan 4.470 nan 0.000 0.233 158 S C 1.763 176.256 174.600 -0.178 0.000 1.030 158 S CA 3.903 61.940 58.200 -0.272 0.000 1.003 158 S CB -0.334 62.562 63.200 -0.508 0.000 0.813 158 S HN 0.087 8.008 8.310 -0.334 0.189 0.477 159 Y N -0.545 119.738 120.300 -0.028 0.000 2.181 159 Y HA -0.364 nan 4.550 nan 0.000 0.288 159 Y C 1.087 177.055 175.900 0.112 0.000 1.146 159 Y CA 1.692 59.825 58.100 0.055 0.000 1.164 159 Y CB -0.971 37.530 38.460 0.069 0.000 0.982 159 Y HN -0.780 7.387 8.280 -0.152 0.022 0.515 160 F N 0.289 119.857 119.950 -0.636 0.000 2.098 160 F HA -0.241 nan 4.527 nan 0.000 0.294 160 F C 2.350 178.085 175.800 -0.108 0.000 1.107 160 F CA 2.844 60.696 58.000 -0.247 0.000 1.234 160 F CB 0.626 39.419 39.000 -0.345 0.000 1.002 160 F HN -0.344 7.114 8.300 -1.233 0.102 0.472 161 R N -1.626 118.946 120.500 0.120 0.000 2.075 161 R HA -0.268 nan 4.340 nan 0.000 0.232 161 R C 1.843 178.089 176.300 -0.091 0.000 1.126 161 R CA 2.808 58.965 56.100 0.095 0.000 0.963 161 R CB -0.121 30.233 30.300 0.091 0.000 0.858 161 R HN -0.216 8.089 8.270 0.057 0.000 0.435 162 E N -3.773 116.383 120.200 -0.073 0.000 2.427 162 E HA -0.023 nan 4.350 nan 0.000 0.196 162 E C -0.528 176.028 176.600 -0.073 0.000 1.028 162 E CA 0.344 56.710 56.400 -0.056 0.000 0.864 162 E CB 0.344 30.044 29.700 -0.000 0.000 0.813 162 E HN -0.374 7.835 8.360 -0.062 0.115 0.514 163 D N 0.436 120.775 120.400 -0.101 0.000 2.525 163 D HA -0.152 nan 4.640 nan 0.000 0.235 163 D C 0.577 176.829 176.300 -0.079 0.000 1.137 163 D CA 0.820 54.777 54.000 -0.071 0.000 0.868 163 D CB 0.911 41.664 40.800 -0.078 0.000 1.180 163 D HN -0.910 7.207 8.370 -0.143 0.167 0.465 164 I N 6.216 126.750 120.570 -0.059 0.000 2.252 164 I HA -0.224 nan 4.170 nan 0.000 0.245 164 I C 1.053 177.230 176.117 0.100 0.000 1.102 164 I CA 2.950 64.296 61.300 0.077 0.000 1.385 164 I CB 0.501 38.417 38.000 -0.140 0.000 1.064 164 I HN 0.424 8.558 8.210 -0.128 0.000 0.414 165 G N -0.891 107.919 108.800 0.017 0.000 2.418 165 G HA2 -0.282 nan 3.960 nan 0.000 0.217 165 G HA3 -0.282 nan 3.960 nan 0.000 0.217 165 G C 1.401 176.228 174.900 -0.123 0.000 1.158 165 G CA 2.248 47.345 45.100 -0.004 0.000 0.771 165 G HN -0.220 8.280 8.290 0.022 -0.197 0.545 166 I N 2.164 122.551 120.570 -0.304 0.000 2.179 166 I HA -0.460 nan 4.170 nan 0.000 0.242 166 I C 1.769 177.778 176.117 -0.180 0.000 1.088 166 I CA 2.649 63.640 61.300 -0.515 0.000 1.357 166 I CB -1.041 36.553 38.000 -0.677 0.000 1.051 166 I HN -0.386 7.914 8.210 -0.259 -0.246 0.409 167 N N -0.069 118.588 118.700 -0.073 0.000 2.120 167 N HA -0.293 nan 4.740 nan 0.000 0.188 167 N C 2.206 177.836 175.510 0.201 0.000 1.024 167 N CA 3.470 56.531 53.050 0.018 0.000 0.852 167 N CB -0.355 38.070 38.487 -0.102 0.000 1.003 167 N HN -0.592 7.724 8.380 -0.106 0.000 0.424 168 A N -0.036 122.953 122.820 0.282 0.000 1.902 168 A HA -0.270 nan 4.320 nan 0.000 0.217 168 A C 1.839 179.607 177.584 0.307 0.000 1.181 168 A CA 3.056 55.266 52.037 0.288 0.000 0.623 168 A CB -0.729 18.449 19.000 0.296 0.000 0.818 168 A HN -0.141 8.061 8.150 0.251 0.099 0.443 169 H N 0.193 119.417 119.070 0.257 0.000 2.321 169 H HA -0.403 nan 4.556 nan 0.000 0.300 169 H C 1.802 177.372 175.328 0.404 0.000 1.087 169 H CA 3.978 60.233 56.048 0.345 0.000 1.319 169 H CB 0.087 29.934 29.762 0.143 0.000 1.379 169 H HN -0.119 8.341 8.280 0.300 0.000 0.501 170 H N -0.400 118.815 119.070 0.241 0.000 2.387 170 H HA -0.364 nan 4.556 nan 0.000 0.299 170 H C 2.550 178.101 175.328 0.372 0.000 1.090 170 H CA 3.196 59.391 56.048 0.245 0.000 1.332 170 H CB 0.349 30.232 29.762 0.201 0.000 1.386 170 H HN -0.445 8.088 8.280 0.421 0.000 0.516 171 W N 0.373 121.737 121.300 0.108 0.000 2.355 171 W HA -0.413 nan 4.660 nan 0.000 0.309 171 W C 1.607 178.132 176.519 0.009 0.000 1.206 171 W CA 4.126 61.473 57.345 0.003 0.000 1.284 171 W CB -0.328 29.053 29.460 -0.132 0.000 1.145 171 W HN -0.211 8.237 8.180 0.447 0.000 0.502 172 H N -2.477 116.826 119.070 0.388 0.000 2.387 172 H HA -0.363 nan 4.556 nan 0.000 0.299 172 H C 2.218 177.595 175.328 0.080 0.000 1.090 172 H CA 4.215 60.427 56.048 0.273 0.000 1.332 172 H CB -0.262 29.626 29.762 0.210 0.000 1.386 172 H HN -0.324 7.985 8.280 0.176 0.077 0.516 173 W N 0.257 121.514 121.300 -0.071 0.000 2.358 173 W HA -0.456 nan 4.660 nan 0.000 0.303 173 W C 1.791 178.287 176.519 -0.039 0.000 1.208 173 W CA 4.896 62.174 57.345 -0.113 0.000 1.274 173 W CB -0.119 29.170 29.460 -0.285 0.000 1.138 173 W HN 0.530 8.808 8.180 0.165 0.000 0.515 174 H N -3.055 116.198 119.070 0.305 0.000 2.421 174 H HA -0.314 nan 4.556 nan 0.000 0.298 174 H C 2.805 178.120 175.328 -0.022 0.000 1.087 174 H CA 4.160 60.339 56.048 0.217 0.000 1.330 174 H CB -0.367 29.450 29.762 0.091 0.000 1.388 174 H HN -0.689 7.778 8.280 0.313 0.000 0.526 175 I N -1.055 119.471 120.570 -0.073 0.000 2.252 175 I HA -0.316 nan 4.170 nan 0.000 0.245 175 I C 1.568 177.680 176.117 -0.007 0.000 1.102 175 I CA 2.825 64.058 61.300 -0.111 0.000 1.385 175 I CB -0.218 37.733 38.000 -0.082 0.000 1.064 175 I HN -0.354 7.680 8.210 -0.085 0.126 0.414 176 V N -4.450 115.377 119.914 -0.144 0.000 2.427 176 V HA -0.217 nan 4.120 nan 0.000 0.248 176 V C 0.190 175.855 176.094 -0.715 0.000 1.051 176 V CA 2.853 64.922 62.300 -0.384 0.000 1.048 176 V CB 0.038 31.545 31.823 -0.527 0.000 0.666 176 V HN -0.582 7.433 8.190 -0.136 0.093 0.456 177 Y N -1.719 118.244 120.300 -0.562 0.000 2.842 177 Y HA 0.449 nan 4.550 nan 0.000 0.334 177 Y C -2.351 173.403 175.900 -0.243 0.000 1.019 177 Y CA -3.162 54.605 58.100 -0.556 0.000 1.258 177 Y CB -0.003 37.940 38.460 -0.862 0.000 1.106 177 Y HN -0.301 7.678 8.280 -0.501 0.000 0.545 178 P HA 0.076 nan 4.420 nan 0.000 0.278 178 P C -0.273 177.136 177.300 0.180 0.000 1.238 178 P CA -0.740 62.464 63.100 0.173 0.000 0.794 178 P CB 0.426 32.220 31.700 0.158 0.000 0.955 179 A N 3.528 126.456 122.820 0.180 0.000 1.930 179 A HA -0.204 nan 4.320 nan 0.000 0.217 179 A C 1.072 178.716 177.584 0.101 0.000 1.175 179 A CA 3.125 55.236 52.037 0.125 0.000 0.627 179 A CB -0.475 18.575 19.000 0.082 0.000 0.815 179 A HN 0.570 8.841 8.150 0.203 0.000 0.443 180 T N -5.808 108.803 114.554 0.095 0.000 3.035 180 T HA -0.203 nan 4.350 nan 0.000 0.268 180 T C 0.849 175.580 174.700 0.053 0.000 1.109 180 T CA 0.127 62.270 62.100 0.071 0.000 1.119 180 T CB -0.451 68.486 68.868 0.115 0.000 0.900 180 T HN 0.018 8.294 8.240 0.103 0.026 0.503 181 W N 3.510 124.733 121.300 -0.129 0.000 2.513 181 W HA -0.383 nan 4.660 nan 0.000 0.339 181 W C -1.775 174.665 176.519 -0.131 0.000 1.257 181 W CA 1.290 58.520 57.345 -0.192 0.000 1.280 181 W CB -0.179 29.171 29.460 -0.183 0.000 1.214 181 W HN -0.748 7.372 8.180 0.230 0.198 0.567 182 N N 8.036 126.385 118.700 -0.584 0.000 2.479 182 N HA 0.341 nan 4.740 nan 0.000 0.261 182 N C -1.657 173.477 175.510 -0.626 0.000 0.979 182 N CA -3.078 49.729 53.050 -0.404 0.000 0.930 182 N CB 1.987 40.301 38.487 -0.288 0.000 1.172 182 N HN -0.056 7.797 8.380 -0.878 0.000 0.499 183 P HA -0.059 nan 4.420 nan 0.000 0.221 183 P C 0.862 178.062 177.300 -0.167 0.000 1.150 183 P CA 1.756 64.761 63.100 -0.157 0.000 0.800 183 P CB 0.452 32.233 31.700 0.135 0.000 0.787 184 T N -4.948 109.520 114.554 -0.142 0.000 2.737 184 T HA -0.238 nan 4.350 nan 0.000 0.265 184 T C 1.546 176.156 174.700 -0.151 0.000 1.038 184 T CA 3.032 65.068 62.100 -0.106 0.000 1.144 184 T CB -0.531 68.293 68.868 -0.074 0.000 0.866 184 T HN 0.330 8.765 8.240 -0.137 -0.277 0.434 185 V N 1.479 121.259 119.914 -0.223 0.000 2.261 185 V HA -0.282 nan 4.120 nan 0.000 0.246 185 V C 1.942 177.867 176.094 -0.282 0.000 1.047 185 V CA 2.791 64.955 62.300 -0.228 0.000 1.015 185 V CB -0.239 31.427 31.823 -0.260 0.000 0.642 185 V HN -0.490 7.761 8.190 -0.239 -0.204 0.446 186 M N -2.428 116.887 119.600 -0.476 0.000 2.132 186 M HA -0.151 nan 4.480 nan 0.000 0.263 186 M C 1.439 177.604 176.300 -0.224 0.000 1.065 186 M CA 1.415 56.420 55.300 -0.492 0.000 1.122 186 M CB 0.369 32.456 32.600 -0.856 0.000 1.365 186 M HN -0.310 7.616 8.290 -0.606 0.000 0.411 187 G N -3.189 105.512 108.800 -0.164 0.000 2.345 187 G HA2 -0.396 nan 3.960 nan 0.000 0.218 187 G HA3 -0.396 nan 3.960 nan 0.000 0.218 187 G C -1.660 173.248 174.900 0.012 0.000 1.058 187 G CA 0.363 45.430 45.100 -0.055 0.000 0.632 187 G HN 0.143 8.170 8.290 -0.223 0.129 0.508 188 K N 0.962 121.395 120.400 0.055 0.000 2.087 188 K HA 0.165 nan 4.320 nan 0.000 0.255 188 K C -1.311 175.476 176.600 0.312 0.000 0.988 188 K CA -1.288 55.098 56.287 0.165 0.000 0.915 188 K CB 1.019 33.639 32.500 0.200 0.000 1.043 188 K HN -0.285 7.866 8.250 -0.001 0.098 0.457 189 E N -0.945 119.408 120.200 0.255 0.000 2.277 189 E HA 0.212 nan 4.350 nan 0.000 0.266 189 E C -0.881 175.766 176.600 0.078 0.000 0.901 189 E CA -2.002 54.571 56.400 0.288 0.000 0.782 189 E CB 2.157 31.969 29.700 0.187 0.000 1.228 189 E HN 0.068 8.528 8.360 0.166 0.000 0.424 190 K N 1.135 121.465 120.400 -0.117 0.000 2.262 190 K HA 0.136 nan 4.320 nan 0.000 0.282 190 K C -0.666 175.939 176.600 0.008 0.000 1.066 190 K CA -1.500 54.656 56.287 -0.218 0.000 0.901 190 K CB 0.208 32.430 32.500 -0.463 0.000 1.089 190 K HN 0.387 8.597 8.250 -0.067 0.000 0.476 191 D N 4.148 124.585 120.400 0.063 0.000 2.425 191 D HA -0.079 nan 4.640 nan 0.000 0.247 191 D C 0.118 176.478 176.300 0.100 0.000 1.147 191 D CA 1.085 55.138 54.000 0.088 0.000 0.879 191 D CB 0.346 41.204 40.800 0.097 0.000 1.179 191 D HN 0.142 8.537 8.370 0.043 0.000 0.456 192 R N -0.284 120.254 120.500 0.063 0.000 3.416 192 R HA -0.506 nan 4.340 nan 0.000 0.263 192 R C 0.657 176.963 176.300 0.009 0.000 1.053 192 R CA 0.985 57.100 56.100 0.026 0.000 0.705 192 R CB -2.267 28.017 30.300 -0.026 0.000 1.124 192 R HN 0.737 9.047 8.270 0.066 0.000 0.444 193 K N -1.557 118.868 120.400 0.042 0.000 2.097 193 K HA -0.223 nan 4.320 nan 0.000 0.205 193 K C 1.670 178.309 176.600 0.065 0.000 1.050 193 K CA 2.779 59.061 56.287 -0.008 0.000 0.938 193 K CB -0.637 31.941 32.500 0.131 0.000 0.718 193 K HN -0.358 7.933 8.250 0.068 0.000 0.442 194 G N -0.670 108.190 108.800 0.101 0.000 2.418 194 G HA2 -0.322 nan 3.960 nan 0.000 0.217 194 G HA3 -0.322 nan 3.960 nan 0.000 0.217 194 G C 0.874 175.901 174.900 0.211 0.000 1.158 194 G CA 2.050 47.242 45.100 0.154 0.000 0.771 194 G HN -0.163 8.337 8.290 0.082 -0.161 0.545 195 E N 1.589 121.864 120.200 0.124 0.000 2.106 195 E HA -0.185 nan 4.350 nan 0.000 0.192 195 E C 1.891 178.590 176.600 0.165 0.000 0.984 195 E CA 2.181 58.656 56.400 0.125 0.000 0.806 195 E CB -0.248 29.466 29.700 0.024 0.000 0.750 195 E HN -0.608 7.897 8.360 0.077 -0.098 0.458 196 L N 0.029 121.301 121.223 0.082 0.000 2.083 196 L HA -0.335 nan 4.340 nan 0.000 0.209 196 L C 1.257 178.266 176.870 0.231 0.000 1.083 196 L CA 3.147 58.042 54.840 0.092 0.000 0.752 196 L CB -0.285 41.705 42.059 -0.115 0.000 0.899 196 L HN -0.037 8.133 8.230 0.023 0.074 0.433 197 F N 0.685 120.753 119.950 0.196 0.000 2.095 197 F HA -0.482 nan 4.527 nan 0.000 0.298 197 F C 1.164 176.965 175.800 0.003 0.000 1.104 197 F CA 4.168 62.285 58.000 0.196 0.000 1.232 197 F CB -0.064 39.060 39.000 0.206 0.000 0.987 197 F HN 0.212 8.669 8.300 0.401 0.083 0.475 198 F N 0.265 120.110 119.950 -0.175 0.000 2.102 198 F HA -0.484 nan 4.527 nan 0.000 0.298 198 F C 0.800 176.343 175.800 -0.429 0.000 1.105 198 F CA 3.731 61.358 58.000 -0.622 0.000 1.239 198 F CB -0.102 38.426 39.000 -0.787 0.000 0.991 198 F HN -0.476 7.934 8.300 0.322 0.083 0.474 199 Y N -0.119 119.830 120.300 -0.586 0.000 2.163 199 Y HA -0.529 nan 4.550 nan 0.000 0.288 199 Y C 1.513 177.050 175.900 -0.605 0.000 1.136 199 Y CA 3.801 61.531 58.100 -0.617 0.000 1.147 199 Y CB 0.110 38.457 38.460 -0.189 0.000 0.987 199 Y HN 0.078 8.324 8.280 0.071 0.077 0.509 200 M N -0.742 118.529 119.600 -0.549 0.000 2.086 200 M HA -0.469 nan 4.480 nan 0.000 0.261 200 M C 1.907 177.668 176.300 -0.898 0.000 1.067 200 M CA 2.731 57.566 55.300 -0.774 0.000 1.116 200 M CB -0.414 31.588 32.600 -0.996 0.000 1.348 200 M HN 0.331 8.440 8.290 -0.301 0.000 0.407 201 H N -1.631 116.938 119.070 -0.835 0.000 2.389 201 H HA -0.266 nan 4.556 nan 0.000 0.299 201 H C 2.503 177.518 175.328 -0.521 0.000 1.081 201 H CA 4.620 60.313 56.048 -0.592 0.000 1.345 201 H CB -0.337 29.098 29.762 -0.545 0.000 1.393 201 H HN -0.498 7.342 8.280 -0.734 0.000 0.520 202 Q N -0.567 118.838 119.800 -0.658 0.000 2.084 202 Q HA -0.354 nan 4.340 nan 0.000 0.202 202 Q C 2.393 178.076 176.000 -0.528 0.000 0.978 202 Q CA 3.328 58.766 55.803 -0.609 0.000 0.844 202 Q CB -0.350 27.819 28.738 -0.949 0.000 0.898 202 Q HN -0.196 7.440 8.270 -0.889 0.101 0.426 203 Q N -0.684 118.652 119.800 -0.773 0.000 2.124 203 Q HA -0.272 nan 4.340 nan 0.000 0.202 203 Q C 2.640 178.312 176.000 -0.547 0.000 0.977 203 Q CA 2.699 58.055 55.803 -0.745 0.000 0.850 203 Q CB -0.312 27.727 28.738 -1.165 0.000 0.901 203 Q HN 0.018 7.686 8.270 -1.003 0.000 0.429 204 M N -0.084 119.235 119.600 -0.469 0.000 2.117 204 M HA -0.393 nan 4.480 nan 0.000 0.262 204 M C 2.303 178.651 176.300 0.080 0.000 1.065 204 M CA 4.387 59.609 55.300 -0.131 0.000 1.114 204 M CB -0.079 32.521 32.600 0.001 0.000 1.361 204 M HN -0.138 7.733 8.290 -0.578 0.072 0.408 205 C N -1.003 118.328 119.300 0.050 0.000 2.446 205 C HA -0.342 nan 4.460 nan 0.000 0.277 205 C C 1.827 176.844 174.990 0.045 0.000 1.275 205 C CA 4.045 63.160 59.018 0.163 0.000 1.727 205 C CB -2.107 25.705 27.740 0.120 0.000 2.010 205 C HN -0.107 8.090 8.230 -0.055 0.000 0.486 206 A N -0.033 122.738 122.820 -0.081 0.000 1.902 206 A HA -0.339 nan 4.320 nan 0.000 0.217 206 A C 1.935 179.452 177.584 -0.111 0.000 1.181 206 A CA 3.372 55.346 52.037 -0.104 0.000 0.623 206 A CB -0.952 17.964 19.000 -0.139 0.000 0.818 206 A HN 0.572 8.463 8.150 -0.147 0.171 0.443 207 R N -1.962 118.463 120.500 -0.125 0.000 2.096 207 R HA -0.352 nan 4.340 nan 0.000 0.235 207 R C 2.270 178.409 176.300 -0.267 0.000 1.127 207 R CA 3.164 59.198 56.100 -0.110 0.000 0.968 207 R CB -0.047 30.262 30.300 0.016 0.000 0.861 207 R HN 0.228 8.292 8.270 -0.151 0.116 0.440 208 Y N 1.064 121.080 120.300 -0.474 0.000 2.181 208 Y HA -0.427 nan 4.550 nan 0.000 0.288 208 Y C 1.376 176.963 175.900 -0.521 0.000 1.146 208 Y CA 3.249 60.865 58.100 -0.806 0.000 1.164 208 Y CB -0.095 37.870 38.460 -0.825 0.000 0.982 208 Y HN -0.099 8.063 8.280 -0.058 0.082 0.515 209 D N -1.690 118.539 120.400 -0.284 0.000 2.178 209 D HA -0.340 nan 4.640 nan 0.000 0.201 209 D C 2.619 178.760 176.300 -0.265 0.000 0.980 209 D CA 3.333 57.177 54.000 -0.261 0.000 0.842 209 D CB -0.833 39.898 40.800 -0.115 0.000 0.948 209 D HN 0.193 8.433 8.370 -0.103 0.068 0.472 210 S N -1.244 114.335 115.700 -0.203 0.000 2.423 210 S HA -0.245 nan 4.470 nan 0.000 0.231 210 S C 1.918 176.460 174.600 -0.097 0.000 1.014 210 S CA 3.434 61.591 58.200 -0.073 0.000 0.965 210 S CB -0.240 62.964 63.200 0.007 0.000 0.785 210 S HN -0.301 7.803 8.310 -0.195 0.089 0.495 211 E N 1.461 121.490 120.200 -0.286 0.000 2.072 211 E HA -0.258 nan 4.350 nan 0.000 0.191 211 E C 2.603 179.043 176.600 -0.267 0.000 0.985 211 E CA 2.827 59.075 56.400 -0.253 0.000 0.801 211 E CB -0.454 28.952 29.700 -0.490 0.000 0.750 211 E HN -0.507 7.456 8.360 -0.442 0.132 0.452 212 R N -0.583 119.646 120.500 -0.450 0.000 2.081 212 R HA -0.280 nan 4.340 nan 0.000 0.235 212 R C 2.729 178.927 176.300 -0.171 0.000 1.131 212 R CA 3.314 59.210 56.100 -0.340 0.000 0.960 212 R CB -0.134 29.941 30.300 -0.375 0.000 0.856 212 R HN -0.457 7.357 8.270 -0.635 0.076 0.436 213 L N -1.177 119.964 121.223 -0.138 0.000 2.083 213 L HA -0.269 nan 4.340 nan 0.000 0.209 213 L C 2.732 179.579 176.870 -0.039 0.000 1.083 213 L CA 3.117 57.909 54.840 -0.081 0.000 0.752 213 L CB -0.575 41.438 42.059 -0.077 0.000 0.899 213 L HN -0.048 8.079 8.230 -0.173 0.000 0.433 214 S N 0.608 116.320 115.700 0.019 0.000 2.382 214 S HA -0.378 nan 4.470 nan 0.000 0.228 214 S C 1.632 176.243 174.600 0.019 0.000 1.027 214 S CA 3.961 62.208 58.200 0.079 0.000 0.991 214 S CB -0.430 62.853 63.200 0.138 0.000 0.823 214 S HN -0.021 8.186 8.310 0.002 0.105 0.469 215 N N -2.098 116.596 118.700 -0.010 0.000 2.396 215 N HA -0.232 nan 4.740 nan 0.000 0.180 215 N C 0.313 175.806 175.510 -0.027 0.000 1.028 215 N CA 1.396 54.437 53.050 -0.015 0.000 0.893 215 N CB 0.298 38.767 38.487 -0.031 0.000 0.967 215 N HN -0.232 8.025 8.380 -0.032 0.104 0.440 216 G N -2.578 106.196 108.800 -0.044 0.000 2.144 216 G HA2 -0.265 nan 3.960 nan 0.000 0.218 216 G HA3 -0.265 nan 3.960 nan 0.000 0.218 216 G C -0.756 174.117 174.900 -0.044 0.000 0.988 216 G CA -0.101 44.971 45.100 -0.046 0.000 0.659 216 G HN -0.433 7.640 8.290 -0.051 0.187 0.522 217 L N -1.048 120.140 121.223 -0.057 0.000 2.375 217 L HA 0.293 nan 4.340 nan 0.000 0.268 217 L C -0.608 176.225 176.870 -0.062 0.000 1.058 217 L CA -1.285 53.522 54.840 -0.055 0.000 0.803 217 L CB 1.865 43.882 42.059 -0.069 0.000 1.212 217 L HN 0.200 8.249 8.230 -0.070 0.139 0.451 218 Q N -2.393 117.381 119.800 -0.042 0.000 2.318 218 Q HA 0.129 nan 4.340 nan 0.000 0.222 218 Q C -0.619 175.353 176.000 -0.046 0.000 1.003 218 Q CA -0.813 54.967 55.803 -0.038 0.000 0.936 218 Q CB 1.094 29.821 28.738 -0.018 0.000 1.204 218 Q HN 0.050 8.303 8.270 -0.028 0.000 0.524 219 R N -0.822 119.653 120.500 -0.040 0.000 2.641 219 R HA -0.065 nan 4.340 nan 0.000 0.269 219 R C 0.093 176.402 176.300 0.016 0.000 1.074 219 R CA 0.021 56.101 56.100 -0.033 0.000 1.133 219 R CB 0.540 30.821 30.300 -0.032 0.000 1.029 219 R HN -0.267 8.137 8.270 -0.039 -0.157 0.488 220 M N 1.516 121.154 119.600 0.063 0.000 2.248 220 M HA -0.068 nan 4.480 nan 0.000 0.337 220 M C 0.489 176.849 176.300 0.100 0.000 1.121 220 M CA 0.284 55.659 55.300 0.124 0.000 1.155 220 M CB 0.583 33.315 32.600 0.220 0.000 1.514 220 M HN 0.083 8.592 8.290 0.058 -0.183 0.452 221 I N 2.856 123.490 120.570 0.106 0.000 2.525 221 I HA 0.448 nan 4.170 nan 0.000 0.301 221 I C -1.781 174.413 176.117 0.128 0.000 0.992 221 I CA -3.487 57.869 61.300 0.093 0.000 1.162 221 I CB 1.817 39.860 38.000 0.071 0.000 1.332 221 I HN -0.044 8.237 8.210 0.119 0.000 0.458 222 P HA 0.084 nan 4.420 nan 0.000 0.274 222 P C -1.418 176.006 177.300 0.208 0.000 1.231 222 P CA -0.865 62.345 63.100 0.182 0.000 0.790 222 P CB 0.599 32.407 31.700 0.181 0.000 0.951 223 F N 4.025 124.013 119.950 0.063 0.000 2.541 223 F HA 0.001 nan 4.527 nan 0.000 0.351 223 F C -1.248 174.430 175.800 -0.204 0.000 1.209 223 F CA -1.529 56.429 58.000 -0.071 0.000 1.277 223 F CB -0.716 38.205 39.000 -0.131 0.000 1.632 223 F HN -0.145 8.270 8.300 0.317 0.076 0.619 224 H N 5.384 124.302 119.070 -0.253 0.000 2.363 224 H HA -0.158 nan 4.556 nan 0.000 0.301 224 H C -1.015 174.094 175.328 -0.365 0.000 1.074 224 H CA 3.127 59.138 56.048 -0.063 0.000 1.354 224 H CB 0.937 30.743 29.762 0.073 0.000 1.397 224 H HN -0.591 7.651 8.280 0.026 0.054 0.516 225 N N -3.042 115.389 118.700 -0.449 0.000 2.426 225 N HA -0.036 nan 4.740 nan 0.000 0.275 225 N C 1.583 176.643 175.510 -0.749 0.000 1.019 225 N CA -1.245 51.616 53.050 -0.314 0.000 0.941 225 N CB 0.689 39.100 38.487 -0.127 0.000 1.123 225 N HN -0.321 7.695 8.380 -0.605 0.000 0.486 226 F N 5.072 124.810 119.950 -0.353 0.000 2.234 226 F HA -0.252 nan 4.527 nan 0.000 0.299 226 F C 0.834 176.657 175.800 0.037 0.000 1.087 226 F CA 2.912 60.885 58.000 -0.046 0.000 1.340 226 F CB 0.168 39.175 39.000 0.011 0.000 1.031 226 F HN 0.674 9.200 8.300 0.376 0.000 0.500 227 D N -3.664 116.811 120.400 0.124 0.000 2.144 227 D HA -0.174 nan 4.640 nan 0.000 0.200 227 D C 0.802 177.149 176.300 0.078 0.000 0.978 227 D CA 2.178 56.236 54.000 0.096 0.000 0.833 227 D CB 0.049 40.886 40.800 0.061 0.000 0.961 227 D HN 0.079 8.870 8.370 0.116 -0.351 0.470 228 E N 0.191 120.397 120.200 0.009 0.000 2.413 228 E HA -0.002 nan 4.350 nan 0.000 0.263 228 E C -1.778 174.917 176.600 0.158 0.000 1.015 228 E CA -1.444 54.984 56.400 0.048 0.000 0.916 228 E CB -0.705 28.979 29.700 -0.028 0.000 0.947 228 E HN -0.852 7.415 8.360 -0.111 0.027 0.440 229 P HA 0.189 nan 4.420 nan 0.000 0.275 229 P C -1.719 175.655 177.300 0.124 0.000 1.228 229 P CA -0.184 62.990 63.100 0.123 0.000 0.786 229 P CB 0.721 32.494 31.700 0.121 0.000 0.927 230 L N 1.249 122.507 121.223 0.059 0.000 2.399 230 L HA 0.196 nan 4.340 nan 0.000 0.265 230 L C -0.067 176.818 176.870 0.024 0.000 1.089 230 L CA -0.560 54.294 54.840 0.024 0.000 0.802 230 L CB 0.668 42.675 42.059 -0.087 0.000 1.180 230 L HN 0.035 8.276 8.230 0.018 0.000 0.454 231 E N 0.229 120.453 120.200 0.040 0.000 2.366 231 E HA -0.016 nan 4.350 nan 0.000 0.266 231 E C 0.015 176.640 176.600 0.043 0.000 1.051 231 E CA 0.056 56.489 56.400 0.055 0.000 0.884 231 E CB 0.629 30.377 29.700 0.081 0.000 1.006 231 E HN 0.096 8.480 8.360 0.039 0.000 0.417 232 G N 0.263 109.094 108.800 0.051 0.000 2.476 232 G HA2 0.195 nan 3.960 nan 0.000 0.286 232 G HA3 0.195 nan 3.960 nan 0.000 0.286 232 G C -2.052 172.935 174.900 0.145 0.000 1.177 232 G CA -0.444 44.683 45.100 0.045 0.000 0.870 232 G HN 0.037 8.360 8.290 0.055 0.000 0.528 233 Y N 1.601 121.890 120.300 -0.018 0.000 2.441 233 Y HA 0.090 nan 4.550 nan 0.000 0.334 233 Y C -2.296 173.596 175.900 -0.014 0.000 1.061 233 Y CA -0.246 57.859 58.100 0.008 0.000 1.032 233 Y CB 3.774 42.242 38.460 0.012 0.000 1.266 233 Y HN 0.553 8.770 8.280 0.077 0.109 0.441 234 A N 7.937 130.287 122.820 -0.783 0.000 2.291 234 A HA 0.509 nan 4.320 nan 0.000 0.311 234 A C -1.731 175.351 177.584 -0.837 0.000 1.224 234 A CA -3.564 48.096 52.037 -0.628 0.000 0.821 234 A CB 0.632 19.321 19.000 -0.519 0.000 1.172 234 A HN 0.475 8.071 8.150 -0.923 0.000 0.494 235 P HA -0.111 nan 4.420 nan 0.000 0.220 235 P C -0.766 176.580 177.300 0.077 0.000 1.152 235 P CA 1.014 64.067 63.100 -0.079 0.000 0.812 235 P CB 0.355 32.119 31.700 0.107 0.000 0.792 236 H N -5.638 113.417 119.070 -0.025 0.000 2.756 236 H HA -0.327 nan 4.556 nan 0.000 0.315 236 H C -1.601 173.772 175.328 0.074 0.000 1.210 236 H CA 0.330 56.391 56.048 0.022 0.000 1.150 236 H CB -1.876 27.896 29.762 0.015 0.000 1.463 236 H HN 0.293 8.360 8.280 -0.355 0.000 0.427 237 L N -2.891 118.445 121.223 0.189 0.000 2.346 237 L HA 0.589 nan 4.340 nan 0.000 0.274 237 L C -0.504 176.492 176.870 0.209 0.000 1.007 237 L CA -0.850 54.128 54.840 0.229 0.000 0.818 237 L CB 2.391 44.651 42.059 0.335 0.000 1.284 237 L HN -0.328 7.998 8.230 0.160 0.000 0.424 238 T N -1.559 113.091 114.554 0.159 0.000 2.940 238 T HA 0.579 nan 4.350 nan 0.000 0.288 238 T C -0.322 174.420 174.700 0.070 0.000 1.033 238 T CA -2.200 59.954 62.100 0.089 0.000 1.033 238 T CB 2.175 71.087 68.868 0.073 0.000 1.079 238 T HN 0.328 8.668 8.240 0.167 0.000 0.496 239 S N 1.805 117.503 115.700 -0.004 0.000 2.520 239 S HA 0.434 nan 4.470 nan 0.000 0.324 239 S C 1.516 176.132 174.600 0.028 0.000 1.069 239 S CA -1.946 56.255 58.200 0.001 0.000 1.121 239 S CB 0.495 63.641 63.200 -0.091 0.000 0.971 239 S HN 0.617 8.817 8.310 -0.025 0.095 0.463 240 L N 1.636 122.897 121.223 0.063 0.000 2.141 240 L HA -0.118 nan 4.340 nan 0.000 0.209 240 L C 0.600 177.492 176.870 0.036 0.000 1.094 240 L CA 2.634 57.501 54.840 0.045 0.000 0.763 240 L CB -0.795 41.292 42.059 0.047 0.000 0.908 240 L HN -0.191 8.259 8.230 0.095 -0.163 0.437 241 V N -6.584 113.365 119.914 0.059 0.000 2.453 241 V HA -0.247 nan 4.120 nan 0.000 0.252 241 V C 0.272 176.386 176.094 0.033 0.000 1.068 241 V CA 1.153 63.488 62.300 0.058 0.000 1.070 241 V CB -0.669 31.211 31.823 0.095 0.000 0.664 241 V HN 0.233 8.432 8.190 0.083 0.041 0.461 242 S N -0.612 115.100 115.700 0.020 0.000 2.900 242 S HA 0.402 nan 4.470 nan 0.000 0.320 242 S C 0.799 175.401 174.600 0.003 0.000 1.130 242 S CA -1.273 56.932 58.200 0.009 0.000 0.863 242 S CB 2.116 65.318 63.200 0.003 0.000 1.295 242 S HN -0.676 7.508 8.310 0.019 0.138 0.596 243 G N 0.762 109.562 108.800 -0.001 0.000 2.464 243 G HA2 -0.018 nan 3.960 nan 0.000 0.217 243 G HA3 -0.018 nan 3.960 nan 0.000 0.217 243 G C 0.037 174.930 174.900 -0.011 0.000 1.138 243 G CA 0.729 45.828 45.100 -0.002 0.000 0.793 243 G HN 0.108 8.397 8.290 -0.001 0.000 0.539 244 L N -0.523 120.685 121.223 -0.025 0.000 2.482 244 L HA -0.071 nan 4.340 nan 0.000 0.273 244 L C -0.954 175.869 176.870 -0.079 0.000 1.228 244 L CA 0.730 55.541 54.840 -0.049 0.000 0.827 244 L CB 0.361 42.383 42.059 -0.061 0.000 1.099 244 L HN -0.435 7.724 8.230 -0.021 0.058 0.494 245 Q N -2.460 117.284 119.800 -0.093 0.000 2.605 245 Q HA 0.418 nan 4.340 nan 0.000 0.296 245 Q C -1.530 174.379 176.000 -0.152 0.000 1.056 245 Q CA -2.043 53.698 55.803 -0.102 0.000 0.778 245 Q CB 3.268 32.003 28.738 -0.004 0.000 1.497 245 Q HN -0.180 8.045 8.270 -0.075 0.000 0.443 246 Y N -0.431 119.872 120.300 0.005 0.000 2.442 246 Y HA -0.223 nan 4.550 nan 0.000 0.330 246 Y C -0.307 175.580 175.900 -0.022 0.000 1.129 246 Y CA 0.782 58.885 58.100 0.004 0.000 1.365 246 Y CB 0.411 38.882 38.460 0.019 0.000 1.233 246 Y HN -0.460 7.904 8.280 0.139 0.000 0.529 247 A N 5.377 128.261 122.820 0.107 0.000 2.425 247 A HA 0.059 nan 4.320 nan 0.000 0.249 247 A C -1.328 176.264 177.584 0.014 0.000 1.084 247 A CA -0.255 51.796 52.037 0.024 0.000 0.781 247 A CB 0.818 19.815 19.000 -0.006 0.000 1.019 247 A HN -0.237 7.975 8.150 0.103 0.000 0.490 248 S N 1.018 116.686 115.700 -0.054 0.000 2.645 248 S HA 0.353 nan 4.470 nan 0.000 0.266 248 S C -0.616 173.935 174.600 -0.082 0.000 1.258 248 S CA -0.521 57.626 58.200 -0.089 0.000 0.990 248 S CB 1.278 64.376 63.200 -0.170 0.000 0.967 248 S HN -0.049 8.217 8.310 -0.074 0.000 0.556 249 R N 0.354 120.808 120.500 -0.076 0.000 2.532 249 R HA 0.587 nan 4.340 nan 0.000 0.297 249 R C -2.706 173.534 176.300 -0.100 0.000 0.984 249 R CA -2.915 53.123 56.100 -0.102 0.000 0.884 249 R CB 2.731 32.983 30.300 -0.080 0.000 1.182 249 R HN 0.195 8.426 8.270 -0.064 0.000 0.442 250 P HA 0.092 nan 4.420 nan 0.000 0.278 250 P C -1.269 175.944 177.300 -0.145 0.000 1.266 250 P CA -0.899 62.137 63.100 -0.107 0.000 0.807 250 P CB 0.471 32.118 31.700 -0.088 0.000 1.094 251 E N -1.041 119.126 120.200 -0.055 0.000 2.376 251 E HA -0.143 nan 4.350 nan 0.000 0.254 251 E C 0.576 177.188 176.600 0.021 0.000 1.213 251 E CA -0.937 55.452 56.400 -0.019 0.000 0.945 251 E CB 0.097 29.822 29.700 0.042 0.000 1.057 251 E HN -0.085 8.267 8.360 -0.012 0.000 0.479 252 G N 0.281 109.138 108.800 0.096 0.000 2.141 252 G HA2 -0.386 nan 3.960 nan 0.000 0.231 252 G HA3 -0.386 nan 3.960 nan 0.000 0.231 252 G C -1.440 173.726 174.900 0.444 0.000 0.984 252 G CA 0.289 45.531 45.100 0.235 0.000 0.660 252 G HN 0.160 8.484 8.290 0.057 0.000 0.525 253 Y N -1.023 119.298 120.300 0.035 0.000 2.361 253 Y HA 0.227 nan 4.550 nan 0.000 0.337 253 Y C -0.824 175.077 175.900 0.002 0.000 0.965 253 Y CA -3.661 54.469 58.100 0.050 0.000 1.091 253 Y CB 0.779 39.294 38.460 0.091 0.000 1.182 253 Y HN -0.464 7.889 8.280 0.121 0.000 0.450 254 S N 1.668 117.479 115.700 0.185 0.000 2.587 254 S HA -0.121 nan 4.470 nan 0.000 0.260 254 S C -0.786 173.748 174.600 -0.110 0.000 1.353 254 S CA -0.440 57.812 58.200 0.086 0.000 0.995 254 S CB 0.822 64.096 63.200 0.122 0.000 0.912 254 S HN 0.326 8.765 8.310 0.214 0.000 0.568 255 I N 0.536 121.062 120.570 -0.074 0.000 2.575 255 I HA -0.044 nan 4.170 nan 0.000 0.285 255 I C -1.490 174.556 176.117 -0.118 0.000 1.085 255 I CA -0.146 61.052 61.300 -0.171 0.000 1.403 255 I CB 0.819 38.840 38.000 0.035 0.000 1.409 255 I HN 0.215 8.454 8.210 0.048 0.000 0.557 256 H N 6.635 125.742 119.070 0.061 0.000 2.524 256 H HA 0.264 nan 4.556 nan 0.000 0.353 256 H C -1.270 174.077 175.328 0.032 0.000 1.136 256 H CA -1.508 54.571 56.048 0.052 0.000 1.193 256 H CB 2.227 32.030 29.762 0.068 0.000 1.558 256 H HN 0.171 8.315 8.280 -0.226 0.000 0.515 257 D N 2.419 122.902 120.400 0.139 0.000 2.399 257 D HA 0.137 nan 4.640 nan 0.000 0.241 257 D C -0.623 175.719 176.300 0.071 0.000 1.133 257 D CA 0.623 54.655 54.000 0.052 0.000 0.890 257 D CB 0.657 41.465 40.800 0.014 0.000 1.201 257 D HN 0.198 8.667 8.370 0.165 0.000 0.432 258 L N 0.713 121.958 121.223 0.036 0.000 2.304 258 L HA 0.333 nan 4.340 nan 0.000 0.268 258 L C 0.143 177.032 176.870 0.032 0.000 1.010 258 L CA -1.354 53.525 54.840 0.065 0.000 0.813 258 L CB 2.424 44.544 42.059 0.101 0.000 1.315 258 L HN 0.641 8.864 8.230 -0.012 0.000 0.445 259 S N 1.141 116.874 115.700 0.054 0.000 2.368 259 S HA -0.247 nan 4.470 nan 0.000 0.225 259 S C 0.927 175.544 174.600 0.027 0.000 1.030 259 S CA 3.354 61.575 58.200 0.035 0.000 0.999 259 S CB -0.024 63.202 63.200 0.044 0.000 0.844 259 S HN 0.841 9.197 8.310 0.077 0.000 0.459 260 D N -1.460 118.984 120.400 0.074 0.000 2.117 260 D HA -0.134 nan 4.640 nan 0.000 0.198 260 D C -1.210 174.999 176.300 -0.153 0.000 0.982 260 D CA 1.632 55.691 54.000 0.099 0.000 0.828 260 D CB 0.399 41.458 40.800 0.432 0.000 0.967 260 D HN 0.281 8.721 8.370 0.114 -0.002 0.464 261 V N -3.622 116.135 119.914 -0.263 0.000 3.087 261 V HA 0.225 nan 4.120 nan 0.000 0.306 261 V C -2.224 173.709 176.094 -0.268 0.000 1.187 261 V CA -2.096 59.938 62.300 -0.443 0.000 0.999 261 V CB 4.167 35.410 31.823 -0.967 0.000 1.049 261 V HN -0.682 7.335 8.190 -0.126 0.097 0.431 262 D N 1.418 121.649 120.400 -0.282 0.000 2.228 262 D HA 0.486 nan 4.640 nan 0.000 0.247 262 D C 0.932 177.079 176.300 -0.254 0.000 0.995 262 D CA -1.617 52.259 54.000 -0.207 0.000 0.903 262 D CB 2.248 42.940 40.800 -0.180 0.000 1.205 262 D HN -0.112 8.051 8.370 -0.344 0.000 0.459 263 V N 1.214 121.033 119.914 -0.157 0.000 2.407 263 V HA -0.429 nan 4.120 nan 0.000 0.248 263 V C 1.712 177.624 176.094 -0.303 0.000 1.055 263 V CA 4.515 66.729 62.300 -0.144 0.000 1.049 263 V CB -0.569 31.241 31.823 -0.022 0.000 0.662 263 V HN 0.552 8.985 8.190 -0.093 -0.299 0.455 264 Q N -1.644 117.985 119.800 -0.286 0.000 2.135 264 Q HA -0.406 nan 4.340 nan 0.000 0.204 264 Q C 1.861 177.571 176.000 -0.483 0.000 0.981 264 Q CA 3.623 59.227 55.803 -0.331 0.000 0.856 264 Q CB -0.715 27.876 28.738 -0.246 0.000 0.902 264 Q HN 0.250 8.352 8.270 -0.225 0.032 0.425 265 D N -0.565 119.472 120.400 -0.606 0.000 2.144 265 D HA -0.224 nan 4.640 nan 0.000 0.199 265 D C 2.196 177.688 176.300 -1.347 0.000 0.984 265 D CA 3.126 56.507 54.000 -1.032 0.000 0.834 265 D CB -0.609 39.460 40.800 -1.218 0.000 0.955 265 D HN -0.427 7.780 8.370 -0.497 -0.136 0.465 266 M N -0.823 118.282 119.600 -0.825 0.000 2.117 266 M HA -0.264 nan 4.480 nan 0.000 0.262 266 M C 2.281 178.357 176.300 -0.374 0.000 1.065 266 M CA 2.768 57.868 55.300 -0.333 0.000 1.114 266 M CB -0.684 31.903 32.600 -0.022 0.000 1.361 266 M HN -0.402 7.369 8.290 -0.635 0.138 0.408 267 V N -0.308 119.214 119.914 -0.653 0.000 2.343 267 V HA -0.515 nan 4.120 nan 0.000 0.247 267 V C 2.245 178.152 176.094 -0.312 0.000 1.051 267 V CA 4.311 66.262 62.300 -0.582 0.000 1.036 267 V CB -1.398 30.097 31.823 -0.547 0.000 0.654 267 V HN -0.158 7.513 8.190 -0.665 0.119 0.451 268 R N -0.788 119.484 120.500 -0.380 0.000 2.094 268 R HA -0.428 nan 4.340 nan 0.000 0.239 268 R C 2.145 178.367 176.300 -0.130 0.000 1.137 268 R CA 3.681 59.606 56.100 -0.292 0.000 0.943 268 R CB -0.311 29.727 30.300 -0.435 0.000 0.850 268 R HN -0.091 7.814 8.270 -0.498 0.066 0.433 269 W N -2.240 118.996 121.300 -0.105 0.000 2.318 269 W HA -0.289 nan 4.660 nan 0.000 0.313 269 W C 2.203 178.718 176.519 -0.006 0.000 1.221 269 W CA 1.921 59.230 57.345 -0.059 0.000 1.266 269 W CB -0.946 28.529 29.460 0.026 0.000 1.150 269 W HN -0.078 7.853 8.180 -0.415 0.000 0.496 270 R N -1.276 119.370 120.500 0.244 0.000 2.091 270 R HA -0.480 nan 4.340 nan 0.000 0.238 270 R C 1.859 178.209 176.300 0.083 0.000 1.136 270 R CA 3.826 60.032 56.100 0.177 0.000 0.959 270 R CB -0.318 30.127 30.300 0.241 0.000 0.856 270 R HN -0.306 8.098 8.270 0.223 0.000 0.437 271 E N -1.427 118.794 120.200 0.036 0.000 2.107 271 E HA -0.229 nan 4.350 nan 0.000 0.191 271 E C 2.738 179.364 176.600 0.044 0.000 0.982 271 E CA 2.202 58.616 56.400 0.023 0.000 0.809 271 E CB -0.763 28.935 29.700 -0.003 0.000 0.756 271 E HN -0.337 7.916 8.360 0.007 0.111 0.459 272 R N -0.125 120.396 120.500 0.035 0.000 2.094 272 R HA -0.331 nan 4.340 nan 0.000 0.239 272 R C 2.613 179.020 176.300 0.177 0.000 1.137 272 R CA 3.569 59.695 56.100 0.044 0.000 0.943 272 R CB -0.127 30.034 30.300 -0.231 0.000 0.850 272 R HN 0.110 8.386 8.270 0.009 0.000 0.433 273 I N -0.699 119.954 120.570 0.139 0.000 2.252 273 I HA -0.448 nan 4.170 nan 0.000 0.245 273 I C 1.907 178.017 176.117 -0.013 0.000 1.102 273 I CA 3.812 65.141 61.300 0.047 0.000 1.385 273 I CB -0.142 37.834 38.000 -0.040 0.000 1.064 273 I HN -0.048 8.151 8.210 0.124 0.086 0.414 274 L N -1.007 120.212 121.223 -0.007 0.000 2.083 274 L HA -0.505 nan 4.340 nan 0.000 0.209 274 L C 1.850 178.704 176.870 -0.026 0.000 1.083 274 L CA 3.383 58.204 54.840 -0.032 0.000 0.752 274 L CB -0.852 41.199 42.059 -0.013 0.000 0.899 274 L HN 0.114 8.355 8.230 0.018 0.000 0.433 275 D N -0.712 119.695 120.400 0.012 0.000 2.097 275 D HA -0.316 nan 4.640 nan 0.000 0.195 275 D C 1.750 178.009 176.300 -0.069 0.000 0.989 275 D CA 3.332 57.332 54.000 -0.000 0.000 0.827 275 D CB -0.199 40.635 40.800 0.056 0.000 0.966 275 D HN -0.228 8.066 8.370 0.044 0.102 0.456 276 A N -0.527 122.271 122.820 -0.038 0.000 1.883 276 A HA -0.290 nan 4.320 nan 0.000 0.217 276 A C 2.413 179.876 177.584 -0.202 0.000 1.186 276 A CA 3.102 55.058 52.037 -0.135 0.000 0.624 276 A CB -0.628 18.379 19.000 0.011 0.000 0.822 276 A HN -0.571 7.614 8.150 0.058 0.000 0.444 277 I N -2.228 118.255 120.570 -0.144 0.000 2.091 277 I HA -0.596 nan 4.170 nan 0.000 0.239 277 I C 1.966 177.911 176.117 -0.287 0.000 1.061 277 I CA 4.097 65.300 61.300 -0.162 0.000 1.317 277 I CB -0.443 37.502 38.000 -0.092 0.000 1.031 277 I HN -0.266 7.880 8.210 -0.107 0.000 0.401 278 N N -1.057 117.545 118.700 -0.163 0.000 2.020 278 N HA -0.320 nan 4.740 nan 0.000 0.200 278 N C 1.921 177.421 175.510 -0.016 0.000 1.054 278 N CA 2.893 55.892 53.050 -0.086 0.000 0.874 278 N CB -0.051 38.411 38.487 -0.043 0.000 1.075 278 N HN -0.362 7.947 8.380 -0.117 0.000 0.446 279 M N -2.803 116.740 119.600 -0.094 0.000 2.700 279 M HA -0.273 nan 4.480 nan 0.000 0.249 279 M C -0.242 176.088 176.300 0.051 0.000 1.082 279 M CA 2.217 57.481 55.300 -0.060 0.000 1.077 279 M CB -0.228 32.202 32.600 -0.283 0.000 1.477 279 M HN 0.119 8.311 8.290 -0.163 0.000 0.529 280 H N -7.319 111.665 119.070 -0.144 0.000 3.109 280 H HA -0.393 nan 4.556 nan 0.000 0.245 280 H C -1.585 173.798 175.328 0.092 0.000 1.187 280 H CA 1.775 57.809 56.048 -0.023 0.000 1.136 280 H CB -2.894 26.863 29.762 -0.008 0.000 1.243 280 H HN -0.139 7.838 8.280 -0.215 0.174 0.328 281 Y N -7.543 112.822 120.300 0.109 0.000 2.597 281 Y HA 0.837 nan 4.550 nan 0.000 0.340 281 Y C -2.851 173.115 175.900 0.110 0.000 1.097 281 Y CA -2.389 55.772 58.100 0.102 0.000 1.037 281 Y CB 2.984 41.501 38.460 0.094 0.000 1.305 281 Y HN -0.570 7.407 8.280 -0.445 0.035 0.463 282 I N -4.523 116.258 120.570 0.350 0.000 2.846 282 I HA 0.731 nan 4.170 nan 0.000 0.307 282 I C -1.521 174.862 176.117 0.444 0.000 1.053 282 I CA -2.447 59.057 61.300 0.339 0.000 1.050 282 I CB 4.155 42.242 38.000 0.145 0.000 1.239 282 I HN 0.486 8.905 8.210 0.348 0.000 0.439 283 V N -2.382 117.824 119.914 0.487 0.000 2.427 283 V HA 0.478 nan 4.120 nan 0.000 0.286 283 V C -0.717 175.534 176.094 0.262 0.000 1.034 283 V CA -2.173 60.299 62.300 0.287 0.000 0.893 283 V CB 0.025 31.921 31.823 0.122 0.000 0.982 283 V HN 0.369 8.984 8.190 0.708 0.000 0.452 284 D N 5.304 125.800 120.400 0.159 0.000 2.433 284 D HA 0.279 nan 4.640 nan 0.000 0.255 284 D C 1.935 178.289 176.300 0.089 0.000 1.226 284 D CA -1.025 53.056 54.000 0.134 0.000 1.015 284 D CB 1.593 42.446 40.800 0.088 0.000 1.091 284 D HN 0.542 8.877 8.370 0.120 0.107 0.527 285 K N 0.618 121.065 120.400 0.079 0.000 2.097 285 K HA -0.288 nan 4.320 nan 0.000 0.206 285 K C 0.833 177.449 176.600 0.027 0.000 1.049 285 K CA 2.896 59.215 56.287 0.052 0.000 0.933 285 K CB -0.555 31.976 32.500 0.051 0.000 0.717 285 K HN 0.355 8.658 8.250 0.088 0.000 0.442 286 D N -5.357 115.059 120.400 0.027 0.000 2.350 286 D HA -0.145 nan 4.640 nan 0.000 0.216 286 D C -0.156 176.145 176.300 0.001 0.000 0.968 286 D CA 0.097 54.105 54.000 0.013 0.000 0.894 286 D CB -1.069 39.739 40.800 0.013 0.000 0.909 286 D HN -0.347 8.015 8.370 0.038 0.031 0.520 287 N N -3.063 115.639 118.700 0.002 0.000 2.901 287 N HA -0.465 nan 4.740 nan 0.000 0.248 287 N C -1.351 174.149 175.510 -0.017 0.000 1.044 287 N CA 1.240 54.279 53.050 -0.018 0.000 0.847 287 N CB -1.481 36.986 38.487 -0.034 0.000 1.127 287 N HN 0.137 8.298 8.380 0.016 0.228 0.562 288 N N -0.858 117.842 118.700 -0.001 0.000 2.476 288 N HA 0.127 nan 4.740 nan 0.000 0.275 288 N C -1.311 174.201 175.510 0.004 0.000 1.190 288 N CA 0.127 53.170 53.050 -0.012 0.000 0.977 288 N CB 1.717 40.202 38.487 -0.003 0.000 1.200 288 N HN 0.015 8.713 8.380 0.018 -0.307 0.515 289 K N 0.415 120.794 120.400 -0.035 0.000 2.182 289 K HA 0.663 nan 4.320 nan 0.000 0.262 289 K C -1.010 175.616 176.600 0.043 0.000 0.957 289 K CA -0.870 55.414 56.287 -0.005 0.000 0.842 289 K CB 1.337 33.686 32.500 -0.251 0.000 1.099 289 K HN 0.022 8.237 8.250 -0.059 0.000 0.438 290 I N -0.773 119.872 120.570 0.124 0.000 2.474 290 I HA 0.621 nan 4.170 nan 0.000 0.294 290 I C -2.375 173.836 176.117 0.156 0.000 1.005 290 I CA -3.530 57.828 61.300 0.098 0.000 1.113 290 I CB 2.189 40.232 38.000 0.073 0.000 1.289 290 I HN 0.570 8.897 8.210 0.194 0.000 0.436 291 P HA 0.211 nan 4.420 nan 0.000 0.275 291 P C -0.972 176.441 177.300 0.189 0.000 1.228 291 P CA -0.573 62.636 63.100 0.181 0.000 0.786 291 P CB 0.317 32.105 31.700 0.147 0.000 0.927 292 L N 3.411 124.773 121.223 0.232 0.000 2.387 292 L HA -0.044 nan 4.340 nan 0.000 0.267 292 L C -0.542 176.556 176.870 0.379 0.000 1.197 292 L CA -0.699 54.320 54.840 0.299 0.000 1.070 292 L CB -1.197 41.091 42.059 0.383 0.000 1.349 292 L HN 0.356 8.630 8.230 0.240 0.100 0.422 293 D N 4.354 124.962 120.400 0.348 0.000 2.357 293 D HA 0.001 nan 4.640 nan 0.000 0.242 293 D C 1.063 177.656 176.300 0.489 0.000 1.153 293 D CA -0.604 53.620 54.000 0.373 0.000 0.918 293 D CB 2.217 43.252 40.800 0.392 0.000 1.181 293 D HN -0.402 8.108 8.370 0.288 0.033 0.435 294 I N 2.617 123.479 120.570 0.487 0.000 2.226 294 I HA -0.429 nan 4.170 nan 0.000 0.245 294 I C 1.463 177.667 176.117 0.145 0.000 1.100 294 I CA 3.500 65.092 61.300 0.487 0.000 1.374 294 I CB 0.036 38.264 38.000 0.379 0.000 1.057 294 I HN 0.147 8.594 8.210 0.395 0.000 0.413 295 E N -1.315 118.956 120.200 0.118 0.000 2.028 295 E HA -0.209 nan 4.350 nan 0.000 0.191 295 E C 1.586 178.101 176.600 -0.141 0.000 0.988 295 E CA 2.583 58.937 56.400 -0.076 0.000 0.799 295 E CB -0.148 29.415 29.700 -0.228 0.000 0.755 295 E HN 0.309 8.932 8.360 0.195 -0.146 0.447 296 H N -2.097 117.028 119.070 0.090 0.000 2.470 296 H HA -0.013 nan 4.556 nan 0.000 0.289 296 H C 1.856 177.225 175.328 0.069 0.000 1.033 296 H CA 1.588 57.681 56.048 0.074 0.000 1.331 296 H CB -0.283 29.528 29.762 0.082 0.000 1.414 296 H HN -0.052 8.358 8.280 0.217 0.000 0.545 297 G N -1.008 107.940 108.800 0.247 0.000 2.476 297 G HA2 -0.410 nan 3.960 nan 0.000 0.218 297 G HA3 -0.410 nan 3.960 nan 0.000 0.218 297 G C 0.722 175.562 174.900 -0.099 0.000 1.164 297 G CA 2.704 47.920 45.100 0.193 0.000 0.768 297 G HN 0.329 8.661 8.290 0.290 0.132 0.560 298 T N 3.314 117.824 114.554 -0.073 0.000 2.746 298 T HA -0.327 nan 4.350 nan 0.000 0.267 298 T C 1.751 176.434 174.700 -0.028 0.000 1.039 298 T CA 4.954 66.978 62.100 -0.126 0.000 1.142 298 T CB -0.538 68.259 68.868 -0.119 0.000 0.866 298 T HN -0.053 8.183 8.240 -0.008 0.000 0.444 299 D N 1.926 122.333 120.400 0.012 0.000 2.097 299 D HA -0.183 nan 4.640 nan 0.000 0.195 299 D C 1.624 177.953 176.300 0.048 0.000 0.989 299 D CA 2.935 56.966 54.000 0.050 0.000 0.827 299 D CB -0.327 40.511 40.800 0.063 0.000 0.966 299 D HN -0.447 7.911 8.370 0.014 0.021 0.456 300 I N -2.708 117.880 120.570 0.029 0.000 2.226 300 I HA -0.381 nan 4.170 nan 0.000 0.245 300 I C 1.673 177.754 176.117 -0.058 0.000 1.100 300 I CA 3.366 64.667 61.300 0.002 0.000 1.374 300 I CB -0.287 37.717 38.000 0.007 0.000 1.057 300 I HN -0.510 7.726 8.210 0.044 0.000 0.413 301 L N 0.412 121.571 121.223 -0.106 0.000 2.093 301 L HA -0.211 nan 4.340 nan 0.000 0.208 301 L C 1.869 178.745 176.870 0.009 0.000 1.085 301 L CA 2.729 57.477 54.840 -0.153 0.000 0.755 301 L CB -0.656 41.239 42.059 -0.273 0.000 0.904 301 L HN -0.105 7.965 8.230 -0.119 0.088 0.435 302 G N -2.401 106.502 108.800 0.171 0.000 2.418 302 G HA2 -0.493 nan 3.960 nan 0.000 0.217 302 G HA3 -0.493 nan 3.960 nan 0.000 0.217 302 G C 0.616 175.549 174.900 0.054 0.000 1.158 302 G CA 2.613 47.888 45.100 0.291 0.000 0.771 302 G HN 0.292 8.533 8.290 0.117 0.119 0.545 303 D N 1.234 121.642 120.400 0.013 0.000 2.144 303 D HA -0.305 nan 4.640 nan 0.000 0.200 303 D C 2.372 178.631 176.300 -0.068 0.000 0.978 303 D CA 2.833 56.816 54.000 -0.029 0.000 0.833 303 D CB -0.480 40.325 40.800 0.008 0.000 0.961 303 D HN -0.275 8.117 8.370 0.036 0.000 0.470 304 I N -0.001 120.515 120.570 -0.090 0.000 2.252 304 I HA -0.360 nan 4.170 nan 0.000 0.245 304 I C 1.737 177.784 176.117 -0.117 0.000 1.102 304 I CA 3.657 64.876 61.300 -0.134 0.000 1.385 304 I CB 0.052 37.876 38.000 -0.293 0.000 1.064 304 I HN -0.715 7.442 8.210 -0.087 0.000 0.414 305 I N -0.926 119.585 120.570 -0.099 0.000 2.252 305 I HA -0.416 nan 4.170 nan 0.000 0.245 305 I C 1.085 177.201 176.117 -0.003 0.000 1.102 305 I CA 1.704 62.983 61.300 -0.036 0.000 1.385 305 I CB -0.314 37.679 38.000 -0.012 0.000 1.064 305 I HN 0.010 8.166 8.210 -0.090 0.000 0.414 306 E N -0.486 119.600 120.200 -0.190 0.000 2.023 306 E HA -0.391 nan 4.350 nan 0.000 0.196 306 E C -0.977 175.589 176.600 -0.057 0.000 1.003 306 E CA 3.882 60.059 56.400 -0.371 0.000 0.809 306 E CB 0.091 29.350 29.700 -0.735 0.000 0.755 306 E HN -0.439 7.793 8.360 -0.213 0.000 0.449 307 S N -3.899 111.752 115.700 -0.082 0.000 2.638 307 S HA 0.440 nan 4.470 nan 0.000 0.298 307 S C -0.615 173.931 174.600 -0.091 0.000 1.111 307 S CA -2.031 56.101 58.200 -0.113 0.000 1.027 307 S CB 2.398 65.545 63.200 -0.088 0.000 1.064 307 S HN -0.729 7.536 8.310 -0.075 0.000 0.525 308 S N 0.439 116.099 115.700 -0.068 0.000 2.738 308 S HA 0.441 nan 4.470 nan 0.000 0.284 308 S C 1.173 175.777 174.600 0.007 0.000 1.146 308 S CA -0.977 57.215 58.200 -0.013 0.000 0.997 308 S CB 2.201 65.414 63.200 0.022 0.000 1.081 308 S HN 0.626 8.773 8.310 -0.075 0.118 0.553 309 D N 1.652 122.073 120.400 0.035 0.000 2.219 309 D HA -0.141 nan 4.640 nan 0.000 0.205 309 D C 0.457 176.781 176.300 0.041 0.000 0.970 309 D CA 2.490 56.509 54.000 0.032 0.000 0.851 309 D CB -0.360 40.459 40.800 0.031 0.000 0.943 309 D HN 0.308 8.710 8.370 0.052 0.000 0.488 310 E N -2.659 117.575 120.200 0.057 0.000 2.338 310 E HA -0.110 nan 4.350 nan 0.000 0.197 310 E C -0.092 176.536 176.600 0.047 0.000 1.007 310 E CA 0.652 57.089 56.400 0.063 0.000 0.849 310 E CB 0.162 29.911 29.700 0.081 0.000 0.774 310 E HN -0.634 7.710 8.360 0.063 0.053 0.506 311 S N -1.267 114.452 115.700 0.032 0.000 2.593 311 S HA -0.251 nan 4.470 nan 0.000 0.300 311 S C 0.591 175.232 174.600 0.068 0.000 1.267 311 S CA 0.172 58.391 58.200 0.032 0.000 1.065 311 S CB 0.481 63.697 63.200 0.027 0.000 0.807 311 S HN -0.729 7.427 8.310 0.024 0.168 0.499 312 K N 3.793 124.241 120.400 0.081 0.000 2.148 312 K HA -0.229 nan 4.320 nan 0.000 0.204 312 K C -0.356 176.348 176.600 0.173 0.000 1.050 312 K CA 2.036 58.392 56.287 0.115 0.000 0.942 312 K CB 0.475 33.043 32.500 0.112 0.000 0.724 312 K HN -0.066 8.350 8.250 0.044 -0.139 0.446 313 N N -3.585 115.277 118.700 0.271 0.000 2.533 313 N HA 0.132 nan 4.740 nan 0.000 0.289 313 N C 0.123 175.801 175.510 0.280 0.000 1.103 313 N CA -1.077 52.148 53.050 0.292 0.000 0.877 313 N CB 1.560 40.258 38.487 0.351 0.000 1.419 313 N HN -0.739 7.801 8.380 0.282 0.009 0.517 314 V N 0.668 120.668 119.914 0.145 0.000 2.535 314 V HA 0.027 nan 4.120 nan 0.000 0.246 314 V C 0.915 177.051 176.094 0.070 0.000 1.045 314 V CA 2.191 64.538 62.300 0.079 0.000 1.058 314 V CB -0.074 31.774 31.823 0.043 0.000 0.689 314 V HN 0.404 8.667 8.190 0.121 0.000 0.461 315 E N -0.703 119.558 120.200 0.102 0.000 2.318 315 E HA -0.255 nan 4.350 nan 0.000 0.193 315 E C 0.971 177.669 176.600 0.163 0.000 0.998 315 E CA 1.764 58.234 56.400 0.118 0.000 0.859 315 E CB -0.175 29.585 29.700 0.101 0.000 0.812 315 E HN -0.047 8.653 8.360 0.114 -0.271 0.492 316 Y N -0.656 119.621 120.300 -0.038 0.000 2.177 316 Y HA -0.276 nan 4.550 nan 0.000 0.291 316 Y C 0.703 176.555 175.900 -0.080 0.000 1.117 316 Y CA 2.632 60.650 58.100 -0.136 0.000 1.114 316 Y CB 1.626 39.856 38.460 -0.384 0.000 1.017 316 Y HN -0.369 8.351 8.280 0.165 -0.341 0.505 317 Y N -4.387 115.883 120.300 -0.050 0.000 2.420 317 Y HA -0.170 nan 4.550 nan 0.000 0.292 317 Y C 0.391 176.014 175.900 -0.462 0.000 1.119 317 Y CA 2.091 60.069 58.100 -0.203 0.000 1.229 317 Y CB 0.819 39.216 38.460 -0.104 0.000 1.026 317 Y HN -0.810 7.489 8.280 0.032 0.000 0.554 318 G N -2.639 105.920 108.800 -0.400 0.000 2.568 318 G HA2 -0.305 nan 3.960 nan 0.000 0.222 318 G HA3 -0.305 nan 3.960 nan 0.000 0.222 318 G C -2.497 172.013 174.900 -0.649 0.000 1.321 318 G CA -0.097 44.396 45.100 -1.012 0.000 0.893 318 G HN -0.319 7.775 8.290 -0.129 0.118 0.569 319 S N -1.934 113.342 115.700 -0.707 0.000 2.389 319 S HA 0.164 nan 4.470 nan 0.000 0.201 319 S C 0.103 174.707 174.600 0.006 0.000 1.422 319 S CA -1.525 56.531 58.200 -0.241 0.000 1.216 319 S CB 0.888 63.952 63.200 -0.226 0.000 1.130 319 S HN -0.093 7.472 8.310 -1.242 0.000 0.465 320 L N 5.974 127.275 121.223 0.131 0.000 1.994 320 L HA -0.272 nan 4.340 nan 0.000 0.208 320 L C 0.535 177.728 176.870 0.540 0.000 1.071 320 L CA 2.827 57.949 54.840 0.470 0.000 0.745 320 L CB 0.007 42.377 42.059 0.518 0.000 0.892 320 L HN 0.345 8.598 8.230 0.038 0.000 0.431 321 H N -0.364 118.941 119.070 0.393 0.000 2.293 321 H HA -0.404 nan 4.556 nan 0.000 0.300 321 H C 2.216 177.664 175.328 0.201 0.000 1.082 321 H CA 4.399 60.740 56.048 0.488 0.000 1.308 321 H CB 0.077 30.080 29.762 0.402 0.000 1.375 321 H HN -0.242 8.302 8.280 0.440 0.000 0.495 322 N N -0.857 117.970 118.700 0.213 0.000 2.120 322 N HA -0.335 nan 4.740 nan 0.000 0.188 322 N C 2.318 177.712 175.510 -0.193 0.000 1.024 322 N CA 3.006 56.085 53.050 0.049 0.000 0.852 322 N CB -0.528 37.972 38.487 0.021 0.000 1.003 322 N HN -0.234 8.317 8.380 0.284 0.000 0.424 323 W N -0.783 120.492 121.300 -0.042 0.000 2.374 323 W HA -0.206 nan 4.660 nan 0.000 0.288 323 W C 1.840 178.196 176.519 -0.272 0.000 1.218 323 W CA 2.866 60.177 57.345 -0.056 0.000 1.245 323 W CB -0.205 29.324 29.460 0.115 0.000 1.126 323 W HN -0.206 8.004 8.180 0.050 0.000 0.545 324 G N -2.008 106.556 108.800 -0.394 0.000 2.418 324 G HA2 -0.431 nan 3.960 nan 0.000 0.217 324 G HA3 -0.431 nan 3.960 nan 0.000 0.217 324 G C 0.996 175.280 174.900 -1.027 0.000 1.158 324 G CA 2.237 46.632 45.100 -1.174 0.000 0.771 324 G HN 0.193 8.256 8.290 -0.234 0.086 0.545 325 H N 2.286 120.776 119.070 -0.967 0.000 2.353 325 H HA -0.214 nan 4.556 nan 0.000 0.300 325 H C 2.552 177.660 175.328 -0.366 0.000 1.090 325 H CA 3.967 59.548 56.048 -0.779 0.000 1.327 325 H CB 0.121 29.142 29.762 -1.234 0.000 1.383 325 H HN -0.626 7.083 8.280 -0.751 0.120 0.508 326 V N 0.135 120.008 119.914 -0.069 0.000 2.295 326 V HA -0.455 nan 4.120 nan 0.000 0.246 326 V C 2.117 178.247 176.094 0.060 0.000 1.049 326 V CA 4.684 67.039 62.300 0.091 0.000 1.024 326 V CB -0.749 31.236 31.823 0.270 0.000 0.648 326 V HN -0.325 7.686 8.190 -0.110 0.112 0.447 327 M N -2.331 117.272 119.600 0.005 0.000 2.117 327 M HA -0.334 nan 4.480 nan 0.000 0.262 327 M C 1.797 178.018 176.300 -0.131 0.000 1.065 327 M CA 3.559 58.840 55.300 -0.033 0.000 1.114 327 M CB -0.002 32.553 32.600 -0.075 0.000 1.361 327 M HN 0.057 8.232 8.290 -0.015 0.106 0.408 328 M N -2.113 117.327 119.600 -0.267 0.000 2.175 328 M HA -0.166 nan 4.480 nan 0.000 0.264 328 M C 2.657 178.864 176.300 -0.155 0.000 1.063 328 M CA 2.635 57.764 55.300 -0.285 0.000 1.119 328 M CB 0.474 32.819 32.600 -0.426 0.000 1.377 328 M HN -0.388 7.686 8.290 -0.359 0.000 0.415 329 A N -1.204 121.560 122.820 -0.093 0.000 1.933 329 A HA -0.240 nan 4.320 nan 0.000 0.218 329 A C 0.672 178.270 177.584 0.023 0.000 1.175 329 A CA 2.877 54.911 52.037 -0.005 0.000 0.628 329 A CB -0.291 18.741 19.000 0.052 0.000 0.814 329 A HN 0.239 8.229 8.150 -0.115 0.090 0.444 330 N N -4.186 114.534 118.700 0.033 0.000 2.538 330 N HA 0.067 nan 4.740 nan 0.000 0.291 330 N C 0.237 175.779 175.510 0.052 0.000 1.323 330 N CA -1.814 51.277 53.050 0.069 0.000 0.934 330 N CB -0.860 37.703 38.487 0.126 0.000 1.255 330 N HN -0.443 7.952 8.380 0.025 0.000 0.509 331 I N 1.080 121.644 120.570 -0.011 0.000 2.286 331 I HA -0.348 nan 4.170 nan 0.000 0.248 331 I C 0.264 176.386 176.117 0.009 0.000 1.115 331 I CA 2.514 63.789 61.300 -0.042 0.000 1.392 331 I CB 0.115 38.036 38.000 -0.132 0.000 1.065 331 I HN -0.729 7.374 8.210 -0.036 0.085 0.418 332 T N -1.690 112.851 114.554 -0.021 0.000 2.788 332 T HA -0.246 nan 4.350 nan 0.000 0.268 332 T C -0.384 174.326 174.700 0.017 0.000 1.044 332 T CA 2.511 64.581 62.100 -0.050 0.000 1.139 332 T CB -0.138 68.675 68.868 -0.092 0.000 0.867 332 T HN 0.084 8.277 8.240 -0.021 0.034 0.454 333 D N -1.127 119.334 120.400 0.102 0.000 2.621 333 D HA 0.481 nan 4.640 nan 0.000 0.274 333 D C -0.745 175.692 176.300 0.227 0.000 1.215 333 D CA -3.010 51.121 54.000 0.219 0.000 0.810 333 D CB 0.516 41.461 40.800 0.242 0.000 1.248 333 D HN -0.839 7.492 8.370 0.094 0.096 0.517 334 P HA -0.258 nan 4.420 nan 0.000 0.216 334 P C 0.638 178.050 177.300 0.186 0.000 1.150 334 P CA 1.952 65.170 63.100 0.197 0.000 0.837 334 P CB 0.348 32.186 31.700 0.229 0.000 0.786 335 D N -3.247 117.263 120.400 0.183 0.000 2.183 335 D HA -0.244 nan 4.640 nan 0.000 0.203 335 D C 0.246 176.673 176.300 0.210 0.000 0.969 335 D CA 0.740 54.828 54.000 0.146 0.000 0.842 335 D CB 0.288 41.140 40.800 0.088 0.000 0.957 335 D HN -0.243 8.227 8.370 0.203 0.021 0.484 336 H N -4.156 114.982 119.070 0.113 0.000 2.992 336 H HA -0.298 nan 4.556 nan 0.000 0.266 336 H C -0.564 174.793 175.328 0.049 0.000 1.200 336 H CA 0.758 56.866 56.048 0.100 0.000 1.135 336 H CB -1.052 28.752 29.762 0.070 0.000 1.282 336 H HN -0.352 8.140 8.280 0.261 -0.055 0.351 337 R N -3.185 117.306 120.500 -0.014 0.000 2.092 337 R HA -0.177 nan 4.340 nan 0.000 0.231 337 R C 0.992 177.118 176.300 -0.290 0.000 1.119 337 R CA 1.978 57.971 56.100 -0.179 0.000 0.970 337 R CB -0.082 30.036 30.300 -0.305 0.000 0.864 337 R HN -0.265 8.123 8.270 0.041 -0.094 0.440 338 F N -0.125 119.765 119.950 -0.100 0.000 2.234 338 F HA -0.190 nan 4.527 nan 0.000 0.299 338 F C 0.224 175.911 175.800 -0.190 0.000 1.087 338 F CA 1.877 59.812 58.000 -0.109 0.000 1.340 338 F CB 0.326 39.282 39.000 -0.074 0.000 1.031 338 F HN -0.448 8.207 8.300 -0.022 -0.368 0.500 339 Q N -5.352 114.292 119.800 -0.261 0.000 2.470 339 Q HA -0.424 nan 4.340 nan 0.000 0.294 339 Q C -1.222 174.668 176.000 -0.183 0.000 1.356 339 Q CA 0.890 56.437 55.803 -0.427 0.000 0.805 339 Q CB -2.250 26.379 28.738 -0.182 0.000 1.157 339 Q HN -0.415 7.716 8.270 -0.357 -0.075 0.431 340 E N -2.007 118.118 120.200 -0.125 0.000 2.222 340 E HA 0.218 nan 4.350 nan 0.000 0.272 340 E C -1.340 175.258 176.600 -0.003 0.000 0.982 340 E CA -1.601 54.781 56.400 -0.031 0.000 0.842 340 E CB 1.892 31.584 29.700 -0.014 0.000 1.144 340 E HN -0.634 7.635 8.360 -0.151 0.000 0.397 341 N N 1.634 120.336 118.700 0.003 0.000 2.467 341 N HA 0.238 nan 4.740 nan 0.000 0.262 341 N C -1.198 174.343 175.510 0.053 0.000 1.234 341 N CA -1.427 51.634 53.050 0.018 0.000 0.952 341 N CB -0.324 38.124 38.487 -0.065 0.000 1.158 341 N HN 0.216 8.586 8.380 -0.016 0.000 0.463 342 P HA 0.021 nan 4.420 nan 0.000 0.274 342 P C -0.797 176.627 177.300 0.207 0.000 1.256 342 P CA -0.432 62.743 63.100 0.126 0.000 0.795 342 P CB 0.880 32.652 31.700 0.120 0.000 1.038 343 G N -1.308 107.601 108.800 0.181 0.000 2.535 343 G HA2 0.196 nan 3.960 nan 0.000 0.282 343 G HA3 0.196 nan 3.960 nan 0.000 0.282 343 G C 0.573 175.593 174.900 0.199 0.000 1.350 343 G CA -1.608 43.612 45.100 0.201 0.000 1.039 343 G HN -0.274 7.979 8.290 0.117 0.107 0.509 344 V N -5.598 114.307 119.914 -0.015 0.000 2.720 344 V HA -0.328 nan 4.120 nan 0.000 0.256 344 V C 1.858 177.934 176.094 -0.030 0.000 1.082 344 V CA 2.824 64.974 62.300 -0.250 0.000 1.101 344 V CB -0.415 31.265 31.823 -0.238 0.000 0.693 344 V HN 0.551 8.756 8.190 0.026 0.000 0.479 345 M N 0.529 120.166 119.600 0.062 0.000 2.279 345 M HA -0.306 nan 4.480 nan 0.000 0.264 345 M C 1.600 178.073 176.300 0.289 0.000 1.062 345 M CA 2.238 57.632 55.300 0.157 0.000 1.099 345 M CB -0.936 31.675 32.600 0.017 0.000 1.394 345 M HN -0.262 7.999 8.290 0.045 0.056 0.426 346 S N -0.609 115.223 115.700 0.221 0.000 2.447 346 S HA -0.282 nan 4.470 nan 0.000 0.233 346 S C -0.742 174.005 174.600 0.244 0.000 1.006 346 S CA 3.442 61.786 58.200 0.239 0.000 0.957 346 S CB 0.161 63.458 63.200 0.162 0.000 0.773 346 S HN -0.560 7.811 8.310 0.169 0.041 0.507 347 D N -2.551 117.990 120.400 0.235 0.000 2.350 347 D HA 0.342 nan 4.640 nan 0.000 0.245 347 D C -0.385 176.074 176.300 0.265 0.000 1.036 347 D CA -1.127 53.003 54.000 0.217 0.000 0.848 347 D CB 2.936 43.864 40.800 0.213 0.000 1.307 347 D HN -0.653 7.695 8.370 0.196 0.140 0.469 348 T N 4.075 118.776 114.554 0.246 0.000 2.915 348 T HA -0.078 nan 4.350 nan 0.000 0.269 348 T C 2.203 177.211 174.700 0.513 0.000 1.071 348 T CA 3.689 66.010 62.100 0.368 0.000 1.132 348 T CB -0.236 68.616 68.868 -0.026 0.000 0.878 348 T HN 0.350 8.710 8.240 0.200 0.000 0.479 349 S N 1.484 117.438 115.700 0.423 0.000 2.371 349 S HA -0.177 nan 4.470 nan 0.000 0.224 349 S C 0.972 175.537 174.600 -0.058 0.000 1.029 349 S CA 3.605 61.919 58.200 0.190 0.000 0.978 349 S CB 0.024 63.216 63.200 -0.013 0.000 0.833 349 S HN -0.255 8.610 8.310 0.478 -0.269 0.466 350 T N -5.148 109.352 114.554 -0.090 0.000 3.035 350 T HA 0.228 nan 4.350 nan 0.000 0.259 350 T C 2.392 176.994 174.700 -0.163 0.000 1.078 350 T CA 1.335 63.302 62.100 -0.222 0.000 1.132 350 T CB -0.069 68.551 68.868 -0.413 0.000 0.900 350 T HN -0.144 8.093 8.240 -0.006 0.000 0.480 351 S N 4.306 119.989 115.700 -0.027 0.000 2.400 351 S HA -0.342 nan 4.470 nan 0.000 0.232 351 S C 2.077 176.528 174.600 -0.248 0.000 1.025 351 S CA 3.597 61.814 58.200 0.028 0.000 0.993 351 S CB -1.142 62.295 63.200 0.394 0.000 0.808 351 S HN 0.163 8.526 8.310 0.089 0.000 0.478 352 L N 1.688 122.593 121.223 -0.530 0.000 2.201 352 L HA -0.224 nan 4.340 nan 0.000 0.212 352 L C 1.685 178.302 176.870 -0.423 0.000 1.105 352 L CA 2.153 56.507 54.840 -0.810 0.000 0.775 352 L CB -0.764 40.903 42.059 -0.653 0.000 0.913 352 L HN -0.327 7.635 8.230 -0.393 0.032 0.440 353 R N -2.836 117.484 120.500 -0.300 0.000 2.092 353 R HA -0.278 nan 4.340 nan 0.000 0.231 353 R C 0.023 176.041 176.300 -0.470 0.000 1.119 353 R CA 2.173 58.119 56.100 -0.256 0.000 0.970 353 R CB -0.334 29.877 30.300 -0.148 0.000 0.864 353 R HN -0.118 7.944 8.270 -0.282 0.039 0.440 354 D N 0.717 120.827 120.400 -0.482 0.000 2.351 354 D HA 0.268 nan 4.640 nan 0.000 0.251 354 D C -0.783 175.340 176.300 -0.295 0.000 1.137 354 D CA -2.631 51.003 54.000 -0.610 0.000 0.879 354 D CB 0.797 41.432 40.800 -0.275 0.000 1.181 354 D HN -0.761 7.385 8.370 -0.326 0.029 0.448 355 P HA -0.027 nan 4.420 nan 0.000 0.223 355 P C 0.735 178.088 177.300 0.088 0.000 1.151 355 P CA 1.540 64.663 63.100 0.040 0.000 0.787 355 P CB 0.030 31.762 31.700 0.052 0.000 0.788 356 I N -5.126 115.435 120.570 -0.015 0.000 2.454 356 I HA -0.410 nan 4.170 nan 0.000 0.254 356 I C 1.008 177.099 176.117 -0.043 0.000 1.156 356 I CA 2.932 64.208 61.300 -0.041 0.000 1.433 356 I CB -0.550 37.372 38.000 -0.131 0.000 1.082 356 I HN -0.575 7.851 8.210 -0.069 -0.258 0.432 357 F N 1.996 121.788 119.950 -0.265 0.000 2.091 357 F HA -0.488 nan 4.527 nan 0.000 0.299 357 F C 1.135 176.786 175.800 -0.247 0.000 1.103 357 F CA 4.541 62.350 58.000 -0.318 0.000 1.228 357 F CB -0.041 38.569 39.000 -0.650 0.000 0.984 357 F HN -0.511 7.635 8.300 -0.014 0.146 0.477 358 Y N -3.196 117.211 120.300 0.178 0.000 2.242 358 Y HA -0.425 nan 4.550 nan 0.000 0.291 358 Y C 2.088 178.021 175.900 0.055 0.000 1.137 358 Y CA 4.024 62.152 58.100 0.046 0.000 1.181 358 Y CB -0.673 37.589 38.460 -0.330 0.000 0.989 358 Y HN -0.762 7.438 8.280 -0.105 0.018 0.527 359 R N -0.390 120.219 120.500 0.181 0.000 2.073 359 R HA -0.419 nan 4.340 nan 0.000 0.234 359 R C 2.247 178.643 176.300 0.159 0.000 1.134 359 R CA 3.532 59.739 56.100 0.180 0.000 0.952 359 R CB -0.160 30.248 30.300 0.180 0.000 0.850 359 R HN -0.623 7.660 8.270 0.164 0.085 0.433 360 W N -0.034 121.184 121.300 -0.136 0.000 2.381 360 W HA -0.330 nan 4.660 nan 0.000 0.301 360 W C 1.705 178.121 176.519 -0.172 0.000 1.205 360 W CA 3.726 60.922 57.345 -0.249 0.000 1.285 360 W CB 0.070 29.168 29.460 -0.604 0.000 1.133 360 W HN 0.074 8.308 8.180 0.090 0.000 0.521 361 H N -0.968 117.957 119.070 -0.242 0.000 2.423 361 H HA -0.282 nan 4.556 nan 0.000 0.297 361 H C 2.871 178.134 175.328 -0.108 0.000 1.075 361 H CA 5.082 60.997 56.048 -0.221 0.000 1.342 361 H CB -0.092 29.522 29.762 -0.247 0.000 1.395 361 H HN -0.112 8.168 8.280 -0.000 0.000 0.530 362 R N -0.701 119.839 120.500 0.068 0.000 2.092 362 R HA -0.288 nan 4.340 nan 0.000 0.231 362 R C 2.052 178.354 176.300 0.004 0.000 1.119 362 R CA 2.483 58.625 56.100 0.070 0.000 0.970 362 R CB -0.848 29.519 30.300 0.112 0.000 0.864 362 R HN 0.332 8.562 8.270 0.109 0.105 0.440 363 F N 1.509 121.328 119.950 -0.218 0.000 2.102 363 F HA -0.316 nan 4.527 nan 0.000 0.298 363 F C 1.673 177.273 175.800 -0.333 0.000 1.105 363 F CA 3.532 61.347 58.000 -0.309 0.000 1.239 363 F CB 0.102 38.763 39.000 -0.565 0.000 0.991 363 F HN -0.600 7.634 8.300 0.031 0.084 0.474 364 I N -4.986 115.327 120.570 -0.429 0.000 2.315 364 I HA -0.547 nan 4.170 nan 0.000 0.248 364 I C 1.496 177.661 176.117 0.079 0.000 1.117 364 I CA 3.342 64.487 61.300 -0.259 0.000 1.404 364 I CB -0.632 37.348 38.000 -0.034 0.000 1.071 364 I HN -0.112 7.787 8.210 -0.518 0.000 0.419 365 D N 0.407 120.909 120.400 0.171 0.000 2.149 365 D HA -0.326 nan 4.640 nan 0.000 0.198 365 D C 2.173 178.640 176.300 0.278 0.000 0.990 365 D CA 3.200 57.432 54.000 0.386 0.000 0.839 365 D CB -0.325 40.577 40.800 0.170 0.000 0.948 365 D HN 0.162 8.344 8.370 0.033 0.208 0.460 366 N N -0.987 117.705 118.700 -0.013 0.000 2.149 366 N HA -0.268 nan 4.740 nan 0.000 0.188 366 N C 2.412 177.836 175.510 -0.143 0.000 1.019 366 N CA 3.067 56.064 53.050 -0.089 0.000 0.857 366 N CB -0.153 38.203 38.487 -0.219 0.000 0.997 366 N HN -0.111 8.097 8.380 -0.101 0.112 0.426 367 I N -0.267 120.118 120.570 -0.310 0.000 2.226 367 I HA -0.520 nan 4.170 nan 0.000 0.245 367 I C 1.635 177.547 176.117 -0.342 0.000 1.100 367 I CA 3.707 64.763 61.300 -0.407 0.000 1.374 367 I CB -0.165 37.467 38.000 -0.614 0.000 1.057 367 I HN -0.431 7.417 8.210 -0.350 0.152 0.413 368 F N -1.693 118.214 119.950 -0.071 0.000 2.171 368 F HA -0.424 nan 4.527 nan 0.000 0.300 368 F C 2.322 178.071 175.800 -0.086 0.000 1.090 368 F CA 4.052 61.961 58.000 -0.152 0.000 1.293 368 F CB -0.776 38.024 39.000 -0.334 0.000 1.013 368 F HN -0.833 7.331 8.300 -0.097 0.077 0.486 369 Q N -1.897 118.004 119.800 0.169 0.000 2.124 369 Q HA -0.356 nan 4.340 nan 0.000 0.202 369 Q C 2.754 178.795 176.000 0.068 0.000 0.977 369 Q CA 3.026 58.903 55.803 0.124 0.000 0.850 369 Q CB -0.880 27.922 28.738 0.108 0.000 0.901 369 Q HN 0.174 8.472 8.270 0.212 0.099 0.429 370 E N -0.591 119.620 120.200 0.019 0.000 2.110 370 E HA -0.376 nan 4.350 nan 0.000 0.193 370 E C 2.371 178.985 176.600 0.023 0.000 0.988 370 E CA 2.821 59.219 56.400 -0.004 0.000 0.804 370 E CB -0.230 29.441 29.700 -0.048 0.000 0.745 370 E HN -0.148 8.118 8.360 -0.014 0.085 0.458 371 H N 0.520 119.568 119.070 -0.036 0.000 2.353 371 H HA -0.255 nan 4.556 nan 0.000 0.300 371 H C 2.354 177.825 175.328 0.237 0.000 1.090 371 H CA 3.756 59.825 56.048 0.036 0.000 1.327 371 H CB 0.152 29.928 29.762 0.023 0.000 1.383 371 H HN -0.701 7.570 8.280 0.101 0.070 0.508 372 K N -1.782 118.743 120.400 0.208 0.000 2.147 372 K HA -0.295 nan 4.320 nan 0.000 0.205 372 K C 2.990 179.700 176.600 0.184 0.000 1.049 372 K CA 2.376 58.773 56.287 0.184 0.000 0.936 372 K CB -0.739 31.815 32.500 0.090 0.000 0.722 372 K HN -0.091 8.181 8.250 0.184 0.088 0.446 373 K N -0.506 119.939 120.400 0.076 0.000 2.097 373 K HA -0.236 nan 4.320 nan 0.000 0.206 373 K C 1.584 178.152 176.600 -0.053 0.000 1.049 373 K CA 2.709 59.002 56.287 0.009 0.000 0.933 373 K CB -0.315 32.177 32.500 -0.014 0.000 0.717 373 K HN 0.076 8.239 8.250 0.068 0.128 0.442 374 S N -1.341 114.291 115.700 -0.113 0.000 2.447 374 S HA -0.192 nan 4.470 nan 0.000 0.233 374 S C 0.460 174.812 174.600 -0.413 0.000 1.006 374 S CA 2.209 60.252 58.200 -0.262 0.000 0.957 374 S CB 0.632 63.612 63.200 -0.366 0.000 0.773 374 S HN -0.512 7.622 8.310 -0.089 0.122 0.507 375 F N 2.271 122.100 119.950 -0.202 0.000 2.382 375 F HA 0.026 nan 4.527 nan 0.000 0.331 375 F C -0.011 175.659 175.800 -0.215 0.000 1.121 375 F CA 0.958 58.861 58.000 -0.162 0.000 1.183 375 F CB 1.018 39.942 39.000 -0.127 0.000 1.207 375 F HN -0.648 7.585 8.300 0.187 0.179 0.555 376 H N 1.687 120.785 119.070 0.046 0.000 2.607 376 H HA 0.162 nan 4.556 nan 0.000 0.367 376 H C -1.621 173.642 175.328 -0.108 0.000 1.181 376 H CA -0.609 55.423 56.048 -0.026 0.000 1.402 376 H CB 0.294 30.041 29.762 -0.025 0.000 1.474 376 H HN 0.064 8.508 8.280 0.274 0.000 0.596 377 P HA 0.065 nan 4.420 nan 0.000 0.277 377 P C -1.434 175.798 177.300 -0.113 0.000 1.276 377 P CA -0.259 62.793 63.100 -0.079 0.000 0.788 377 P CB 0.649 32.376 31.700 0.045 0.000 1.114 378 Y N -0.766 119.636 120.300 0.169 0.000 2.320 378 Y HA 0.098 nan 4.550 nan 0.000 0.334 378 Y C 0.434 176.400 175.900 0.111 0.000 1.055 378 Y CA 0.254 58.453 58.100 0.165 0.000 1.143 378 Y CB 0.949 39.539 38.460 0.217 0.000 1.193 378 Y HN 0.235 8.618 8.280 0.171 0.000 0.477 379 T N 4.877 119.579 114.554 0.246 0.000 2.816 379 T HA 0.235 nan 4.350 nan 0.000 0.282 379 T C 0.549 175.304 174.700 0.091 0.000 0.993 379 T CA -0.746 61.429 62.100 0.125 0.000 0.994 379 T CB 1.322 70.245 68.868 0.093 0.000 1.025 379 T HN 0.250 8.657 8.240 0.277 0.000 0.529 380 K N 1.189 121.601 120.400 0.020 0.000 2.147 380 K HA -0.345 nan 4.320 nan 0.000 0.205 380 K C 2.281 178.892 176.600 0.018 0.000 1.049 380 K CA 3.159 59.434 56.287 -0.020 0.000 0.936 380 K CB 0.005 32.484 32.500 -0.036 0.000 0.722 380 K HN 0.306 8.564 8.250 0.012 0.000 0.446 381 E N -1.573 118.650 120.200 0.039 0.000 2.058 381 E HA -0.310 nan 4.350 nan 0.000 0.194 381 E C 1.129 177.772 176.600 0.072 0.000 0.997 381 E CA 2.847 59.273 56.400 0.044 0.000 0.801 381 E CB -0.627 29.099 29.700 0.044 0.000 0.746 381 E HN 0.096 8.467 8.360 0.037 0.011 0.450 382 E N -2.107 118.163 120.200 0.116 0.000 2.072 382 E HA -0.165 nan 4.350 nan 0.000 0.191 382 E C 1.741 178.424 176.600 0.137 0.000 0.985 382 E CA 2.190 58.673 56.400 0.137 0.000 0.801 382 E CB -0.152 29.707 29.700 0.265 0.000 0.750 382 E HN -0.624 7.725 8.360 0.134 0.091 0.452 383 L N -3.116 118.192 121.223 0.142 0.000 2.044 383 L HA -0.195 nan 4.340 nan 0.000 0.205 383 L C 0.808 177.753 176.870 0.125 0.000 1.075 383 L CA 2.007 56.934 54.840 0.144 0.000 0.747 383 L CB 0.339 42.399 42.059 0.002 0.000 0.903 383 L HN -0.671 7.633 8.230 0.123 0.000 0.435 384 S N -3.087 112.658 115.700 0.075 0.000 2.572 384 S HA -0.047 nan 4.470 nan 0.000 0.279 384 S C -0.875 173.816 174.600 0.152 0.000 1.341 384 S CA 0.848 59.095 58.200 0.079 0.000 1.043 384 S CB 0.693 63.903 63.200 0.017 0.000 0.887 384 S HN -0.217 8.025 8.310 0.057 0.102 0.516 385 F N 5.470 125.423 119.950 0.005 0.000 2.434 385 F HA 0.376 nan 4.527 nan 0.000 0.355 385 F C -2.709 173.091 175.800 -0.000 0.000 1.115 385 F CA -3.406 54.598 58.000 0.008 0.000 1.010 385 F CB 2.875 41.882 39.000 0.011 0.000 1.234 385 F HN -0.444 8.169 8.300 0.213 -0.186 0.439 386 P HA 0.059 nan 4.420 nan 0.000 0.275 386 P C -0.581 176.475 177.300 -0.408 0.000 1.228 386 P CA -0.045 62.851 63.100 -0.339 0.000 0.786 386 P CB 0.468 32.020 31.700 -0.247 0.000 0.927 387 G N 0.539 109.227 108.800 -0.187 0.000 2.253 387 G HA2 -0.307 nan 3.960 nan 0.000 0.251 387 G HA3 -0.307 nan 3.960 nan 0.000 0.251 387 G C -1.199 173.680 174.900 -0.036 0.000 0.998 387 G CA 0.553 45.580 45.100 -0.121 0.000 0.621 387 G HN 0.092 8.305 8.290 -0.128 0.000 0.524 388 V N 1.495 121.418 119.914 0.017 0.000 2.435 388 V HA 0.402 nan 4.120 nan 0.000 0.290 388 V C -1.420 174.722 176.094 0.081 0.000 1.030 388 V CA -0.770 61.612 62.300 0.138 0.000 0.881 388 V CB 0.665 32.716 31.823 0.381 0.000 0.983 388 V HN -0.728 7.352 8.190 -0.040 0.086 0.445 389 E N 6.962 127.190 120.200 0.046 0.000 2.272 389 E HA 0.437 nan 4.350 nan 0.000 0.269 389 E C -1.584 175.019 176.600 0.006 0.000 0.877 389 E CA -1.640 54.772 56.400 0.020 0.000 0.755 389 E CB 4.738 34.443 29.700 0.007 0.000 1.192 389 E HN 0.333 8.719 8.360 0.045 0.000 0.422 390 V N 6.762 126.669 119.914 -0.011 0.000 2.348 390 V HA 0.274 nan 4.120 nan 0.000 0.270 390 V C -0.101 175.979 176.094 -0.022 0.000 1.037 390 V CA -0.007 62.275 62.300 -0.030 0.000 0.872 390 V CB -0.605 31.180 31.823 -0.063 0.000 1.002 390 V HN 0.308 8.491 8.190 -0.011 0.000 0.464 391 V N 8.092 127.997 119.914 -0.015 0.000 2.323 391 V HA -0.015 nan 4.120 nan 0.000 0.244 391 V C 0.190 176.280 176.094 -0.007 0.000 1.041 391 V CA 1.784 64.080 62.300 -0.008 0.000 1.025 391 V CB 0.471 32.291 31.823 -0.004 0.000 0.656 391 V HN 0.668 8.848 8.190 -0.017 0.000 0.451 392 G N -4.537 104.257 108.800 -0.010 0.000 2.489 392 G HA2 0.151 nan 3.960 nan 0.000 0.291 392 G HA3 0.151 nan 3.960 nan 0.000 0.291 392 G C -3.244 171.656 174.900 -0.000 0.000 1.487 392 G CA 0.632 45.731 45.100 -0.002 0.000 0.795 392 G HN -0.821 7.459 8.290 -0.016 0.000 0.513 393 V N -0.918 119.005 119.914 0.015 0.000 2.925 393 V HA 0.704 nan 4.120 nan 0.000 0.311 393 V C -1.448 174.683 176.094 0.062 0.000 1.104 393 V CA -1.578 60.744 62.300 0.037 0.000 0.954 393 V CB 3.503 35.345 31.823 0.031 0.000 1.022 393 V HN 0.280 8.482 8.190 0.020 0.000 0.427 394 S N 2.481 118.235 115.700 0.090 0.000 2.546 394 S HA 0.690 nan 4.470 nan 0.000 0.274 394 S C -1.884 172.785 174.600 0.114 0.000 1.121 394 S CA -1.082 57.167 58.200 0.081 0.000 0.887 394 S CB 3.504 66.735 63.200 0.052 0.000 1.094 394 S HN 0.309 8.683 8.310 0.105 0.000 0.474 395 I N -1.593 119.021 120.570 0.074 0.000 2.404 395 I HA 0.650 nan 4.170 nan 0.000 0.293 395 I C -1.793 174.325 176.117 0.001 0.000 0.992 395 I CA -2.108 59.208 61.300 0.026 0.000 1.149 395 I CB 1.282 39.242 38.000 -0.065 0.000 1.315 395 I HN 0.358 8.895 8.210 0.054 -0.294 0.446 396 N N 8.141 126.848 118.700 0.011 0.000 2.400 396 N HA 0.438 nan 4.740 nan 0.000 0.288 396 N C -1.458 174.082 175.510 0.050 0.000 1.024 396 N CA 0.197 53.261 53.050 0.024 0.000 0.894 396 N CB 2.233 40.734 38.487 0.023 0.000 1.173 396 N HN 0.572 8.844 8.380 0.003 0.109 0.487 397 S N 2.751 118.473 115.700 0.036 0.000 2.929 397 S HA 0.197 nan 4.470 nan 0.000 0.311 397 S C -0.708 173.905 174.600 0.022 0.000 1.213 397 S CA -0.412 57.818 58.200 0.050 0.000 0.908 397 S CB 2.271 65.496 63.200 0.042 0.000 1.287 397 S HN 0.024 8.346 8.310 0.019 0.000 0.594 398 K N 1.997 122.404 120.400 0.012 0.000 2.032 398 K HA -0.149 nan 4.320 nan 0.000 0.209 398 K C 0.006 176.602 176.600 -0.005 0.000 1.048 398 K CA 1.837 58.122 56.287 -0.003 0.000 0.927 398 K CB 0.281 32.771 32.500 -0.018 0.000 0.712 398 K HN 0.061 8.661 8.250 0.018 -0.340 0.441 399 T N 0.427 114.976 114.554 -0.007 0.000 2.807 399 T HA 0.186 nan 4.350 nan 0.000 0.279 399 T C -1.536 173.161 174.700 -0.005 0.000 0.993 399 T CA -0.675 61.421 62.100 -0.007 0.000 0.970 399 T CB 1.974 70.835 68.868 -0.011 0.000 0.950 399 T HN -0.167 8.073 8.240 -0.008 -0.005 0.441 400 A N 3.992 126.812 122.820 -0.000 0.000 2.462 400 A HA -0.082 nan 4.320 nan 0.000 0.243 400 A C 0.158 177.741 177.584 -0.002 0.000 1.076 400 A CA 0.771 52.809 52.037 0.002 0.000 0.773 400 A CB 0.037 19.043 19.000 0.009 0.000 1.010 400 A HN 0.317 8.467 8.150 0.002 0.000 0.493 401 N N -2.424 116.270 118.700 -0.010 0.000 2.800 401 N HA -0.425 nan 4.740 nan 0.000 0.250 401 N C -1.543 173.955 175.510 -0.020 0.000 1.078 401 N CA 1.188 54.232 53.050 -0.010 0.000 0.804 401 N CB -1.516 36.980 38.487 0.016 0.000 1.135 401 N HN 0.266 8.532 8.380 -0.014 0.105 0.565 402 V N -8.420 111.472 119.914 -0.036 0.000 2.709 402 V HA 0.786 nan 4.120 nan 0.000 0.308 402 V C -2.171 173.884 176.094 -0.065 0.000 1.062 402 V CA -2.299 59.980 62.300 -0.035 0.000 0.901 402 V CB 3.085 34.897 31.823 -0.018 0.000 1.003 402 V HN -0.604 7.511 8.190 -0.034 0.054 0.425 403 I N 4.156 124.676 120.570 -0.084 0.000 2.474 403 I HA 0.464 nan 4.170 nan 0.000 0.294 403 I C -1.914 174.189 176.117 -0.025 0.000 1.005 403 I CA -1.827 59.418 61.300 -0.092 0.000 1.113 403 I CB 3.733 41.600 38.000 -0.222 0.000 1.289 403 I HN 0.710 8.881 8.210 -0.065 0.000 0.436 404 T N 9.160 123.722 114.554 0.013 0.000 2.859 404 T HA 0.545 nan 4.350 nan 0.000 0.281 404 T C -1.941 172.793 174.700 0.057 0.000 1.005 404 T CA -0.810 61.293 62.100 0.004 0.000 1.025 404 T CB 1.867 70.708 68.868 -0.044 0.000 0.977 404 T HN 0.218 8.485 8.240 0.045 0.000 0.458 405 T N 5.888 120.476 114.554 0.057 0.000 2.876 405 T HA 0.964 nan 4.350 nan 0.000 0.289 405 T C -2.370 172.281 174.700 -0.082 0.000 1.014 405 T CA -1.692 60.496 62.100 0.147 0.000 0.986 405 T CB 1.317 70.379 68.868 0.324 0.000 1.021 405 T HN 0.242 8.494 8.240 0.020 0.000 0.458 406 L N 3.962 125.180 121.223 -0.009 0.000 2.510 406 L HA 0.745 nan 4.340 nan 0.000 0.252 406 L C -1.920 175.042 176.870 0.153 0.000 1.091 406 L CA -1.054 53.672 54.840 -0.190 0.000 0.888 406 L CB 4.284 46.255 42.059 -0.147 0.000 1.507 406 L HN 1.001 9.198 8.230 0.133 0.112 0.407 407 I N -0.839 119.814 120.570 0.138 0.000 2.392 407 I HA 0.505 nan 4.170 nan 0.000 0.295 407 I C -1.933 174.184 176.117 0.000 0.000 0.985 407 I CA -2.504 58.878 61.300 0.136 0.000 1.221 407 I CB 1.602 39.719 38.000 0.197 0.000 1.366 407 I HN 0.204 8.441 8.210 0.045 0.000 0.467 408 K N 8.034 128.319 120.400 -0.191 0.000 2.371 408 K HA 0.433 nan 4.320 nan 0.000 0.251 408 K C -1.740 174.664 176.600 -0.325 0.000 0.934 408 K CA -2.142 53.985 56.287 -0.266 0.000 0.798 408 K CB 3.414 35.689 32.500 -0.376 0.000 1.204 408 K HN 0.868 8.818 8.250 -0.325 0.105 0.427 409 E N 3.157 123.231 120.200 -0.210 0.000 2.313 409 E HA 0.449 nan 4.350 nan 0.000 0.272 409 E C -1.198 175.157 176.600 -0.409 0.000 1.038 409 E CA -0.851 55.319 56.400 -0.384 0.000 0.863 409 E CB 1.162 30.666 29.700 -0.327 0.000 1.060 409 E HN 0.295 8.572 8.360 -0.137 0.000 0.402 410 S N 1.460 116.770 115.700 -0.649 0.000 2.607 410 S HA 0.399 nan 4.470 nan 0.000 0.273 410 S C -2.153 171.961 174.600 -0.810 0.000 1.148 410 S CA -1.287 56.527 58.200 -0.644 0.000 0.833 410 S CB 2.496 65.330 63.200 -0.610 0.000 1.130 410 S HN 0.727 8.537 8.310 -0.833 0.000 0.470 411 L N 0.988 121.955 121.223 -0.425 0.000 2.370 411 L HA 0.817 nan 4.340 nan 0.000 0.266 411 L C -1.641 175.236 176.870 0.012 0.000 1.002 411 L CA -1.378 53.335 54.840 -0.212 0.000 0.818 411 L CB 3.219 45.217 42.059 -0.102 0.000 1.325 411 L HN 0.330 8.389 8.230 -0.284 0.000 0.418 412 L N 1.308 122.622 121.223 0.151 0.000 2.365 412 L HA 0.478 nan 4.340 nan 0.000 0.273 412 L C -2.000 174.945 176.870 0.124 0.000 1.000 412 L CA -1.813 53.144 54.840 0.195 0.000 0.819 412 L CB 4.670 46.881 42.059 0.254 0.000 1.284 412 L HN 0.815 9.015 8.230 0.133 0.110 0.418 413 E N 5.064 125.334 120.200 0.117 0.000 2.115 413 E HA 0.315 nan 4.350 nan 0.000 0.282 413 E C 0.119 176.786 176.600 0.112 0.000 0.987 413 E CA -0.632 55.828 56.400 0.100 0.000 0.797 413 E CB 0.755 30.520 29.700 0.109 0.000 1.086 413 E HN 0.331 8.768 8.360 0.129 0.000 0.397 414 L N 6.003 127.272 121.223 0.077 0.000 2.240 414 L HA -0.105 nan 4.340 nan 0.000 0.211 414 L C 1.509 178.403 176.870 0.040 0.000 1.106 414 L CA 2.323 57.208 54.840 0.075 0.000 0.793 414 L CB -0.044 42.059 42.059 0.073 0.000 0.927 414 L HN 0.879 9.147 8.230 0.063 0.000 0.446 415 S N -0.971 114.704 115.700 -0.042 0.000 2.387 415 S HA -0.411 nan 4.470 nan 0.000 0.230 415 S C 1.570 176.079 174.600 -0.151 0.000 1.035 415 S CA 3.200 61.332 58.200 -0.114 0.000 1.014 415 S CB -0.260 62.740 63.200 -0.333 0.000 0.836 415 S HN -0.089 8.195 8.310 -0.043 0.000 0.466 416 H N -1.026 117.958 119.070 -0.144 0.000 2.389 416 H HA -0.100 nan 4.556 nan 0.000 0.299 416 H C 2.210 177.528 175.328 -0.017 0.000 1.081 416 H CA 2.880 58.728 56.048 -0.333 0.000 1.345 416 H CB 0.012 29.134 29.762 -1.067 0.000 1.393 416 H HN -0.122 8.023 8.280 -0.184 0.024 0.520 417 G N -1.925 106.946 108.800 0.118 0.000 2.394 417 G HA2 -0.120 nan 3.960 nan 0.000 0.215 417 G HA3 -0.120 nan 3.960 nan 0.000 0.215 417 G C -0.236 174.625 174.900 -0.065 0.000 1.165 417 G CA 0.760 45.889 45.100 0.047 0.000 0.784 417 G HN -0.236 8.119 8.290 0.109 0.000 0.535 418 I N -3.060 117.445 120.570 -0.108 0.000 2.797 418 I HA 0.200 nan 4.170 nan 0.000 0.307 418 I C -1.681 174.196 176.117 -0.400 0.000 1.033 418 I CA -3.154 57.980 61.300 -0.277 0.000 1.071 418 I CB 2.026 39.969 38.000 -0.095 0.000 1.255 418 I HN -0.500 7.713 8.210 0.005 0.000 0.445 419 N N 2.552 120.954 118.700 -0.496 0.000 2.434 419 N HA -0.228 nan 4.740 nan 0.000 0.268 419 N C -0.158 175.268 175.510 -0.140 0.000 1.256 419 N CA 0.788 53.648 53.050 -0.318 0.000 0.914 419 N CB -0.386 37.940 38.487 -0.269 0.000 1.088 419 N HN 0.020 8.154 8.380 -0.411 0.000 0.478 420 F N 1.019 120.978 119.950 0.014 0.000 2.163 420 F HA -0.030 nan 4.527 nan 0.000 0.297 420 F C 0.186 175.983 175.800 -0.004 0.000 1.094 420 F CA 0.353 58.349 58.000 -0.006 0.000 1.290 420 F CB -0.018 38.969 39.000 -0.021 0.000 1.017 420 F HN -0.335 8.233 8.300 0.447 0.000 0.483 421 G N 0.268 108.550 108.800 -0.865 0.000 2.531 421 G HA2 -0.541 nan 3.960 nan 0.000 0.274 421 G HA3 -0.541 nan 3.960 nan 0.000 0.274 421 G C 0.534 175.382 174.900 -0.087 0.000 1.159 421 G CA 1.076 45.923 45.100 -0.421 0.000 0.969 421 G HN -0.414 6.925 8.290 -1.775 -0.114 0.554 422 T N 0.830 115.395 114.554 0.018 0.000 2.857 422 T HA -0.089 nan 4.350 nan 0.000 0.266 422 T C 0.621 175.406 174.700 0.142 0.000 1.048 422 T CA 0.611 62.762 62.100 0.084 0.000 1.139 422 T CB -0.098 68.796 68.868 0.044 0.000 0.874 422 T HN 0.600 8.829 8.240 -0.019 0.000 0.455 423 D N 1.992 122.477 120.400 0.142 0.000 2.443 423 D HA -0.061 nan 4.640 nan 0.000 0.239 423 D C 0.238 176.608 176.300 0.117 0.000 1.136 423 D CA -0.055 54.013 54.000 0.113 0.000 0.879 423 D CB -0.197 40.656 40.800 0.088 0.000 1.195 423 D HN -0.707 7.741 8.370 0.129 0.000 0.443 424 Q N 2.649 122.471 119.800 0.037 0.000 2.079 424 Q HA -0.194 nan 4.340 nan 0.000 0.200 424 Q C 0.199 176.157 176.000 -0.071 0.000 0.974 424 Q CA 3.266 59.051 55.803 -0.030 0.000 0.840 424 Q CB 0.955 29.675 28.738 -0.030 0.000 0.898 424 Q HN -0.059 8.232 8.270 0.034 0.000 0.430 425 S N -4.704 110.979 115.700 -0.028 0.000 2.537 425 S HA 0.384 nan 4.470 nan 0.000 0.271 425 S C -2.712 171.889 174.600 0.002 0.000 1.148 425 S CA -0.409 57.766 58.200 -0.041 0.000 0.868 425 S CB 2.152 65.325 63.200 -0.045 0.000 1.115 425 S HN -0.532 7.779 8.310 0.002 0.000 0.461 426 V N -0.203 119.717 119.914 0.011 0.000 2.444 426 V HA 0.826 nan 4.120 nan 0.000 0.294 426 V C -1.851 174.264 176.094 0.034 0.000 1.022 426 V CA -2.477 59.841 62.300 0.031 0.000 0.850 426 V CB 1.750 33.602 31.823 0.048 0.000 0.992 426 V HN 0.055 8.243 8.190 -0.004 0.000 0.426 427 K N 4.738 125.159 120.400 0.034 0.000 2.318 427 K HA 0.845 nan 4.320 nan 0.000 0.249 427 K C -2.269 174.362 176.600 0.052 0.000 0.942 427 K CA -2.460 53.852 56.287 0.041 0.000 0.808 427 K CB 3.485 35.996 32.500 0.018 0.000 1.189 427 K HN 0.096 8.364 8.250 0.030 0.000 0.428 428 V N 1.903 121.866 119.914 0.083 0.000 2.513 428 V HA 0.624 nan 4.120 nan 0.000 0.299 428 V C -2.245 173.899 176.094 0.082 0.000 1.035 428 V CA -2.849 59.511 62.300 0.100 0.000 0.889 428 V CB 3.249 35.163 31.823 0.153 0.000 0.988 428 V HN 0.686 8.938 8.190 0.103 0.000 0.440 429 K N 9.255 129.667 120.400 0.020 0.000 2.183 429 K HA 0.730 nan 4.320 nan 0.000 0.274 429 K C -1.854 174.697 176.600 -0.081 0.000 1.009 429 K CA -1.362 54.847 56.287 -0.129 0.000 0.888 429 K CB 2.301 34.710 32.500 -0.151 0.000 1.078 429 K HN 0.898 9.075 8.250 0.044 0.099 0.459 430 Y N 2.946 123.162 120.300 -0.140 0.000 2.638 430 Y HA 0.464 nan 4.550 nan 0.000 0.339 430 Y C -2.349 173.386 175.900 -0.275 0.000 1.084 430 Y CA -2.622 55.420 58.100 -0.096 0.000 1.068 430 Y CB 2.276 40.767 38.460 0.052 0.000 1.294 430 Y HN 0.972 8.616 8.280 -0.870 0.114 0.480 431 H N -1.143 118.108 119.070 0.301 0.000 2.622 431 H HA 0.775 nan 4.556 nan 0.000 0.363 431 H C -0.503 174.984 175.328 0.265 0.000 1.151 431 H CA -1.674 54.451 56.048 0.130 0.000 1.184 431 H CB 3.700 33.509 29.762 0.079 0.000 1.643 431 H HN 0.201 8.793 8.280 0.520 0.000 0.531 432 H N -2.108 117.123 119.070 0.268 0.000 3.008 432 H HA 0.323 nan 4.556 nan 0.000 0.354 432 H C -2.247 173.180 175.328 0.166 0.000 1.252 432 H CA -2.144 54.011 56.048 0.178 0.000 1.117 432 H CB 2.666 32.398 29.762 -0.049 0.000 1.857 432 H HN 0.823 8.949 8.280 -0.258 0.000 0.547 433 L N -0.917 120.554 121.223 0.412 0.000 2.436 433 L HA 0.294 nan 4.340 nan 0.000 0.265 433 L C -0.496 176.673 176.870 0.500 0.000 1.168 433 L CA 0.280 55.338 54.840 0.364 0.000 0.815 433 L CB 0.876 43.123 42.059 0.312 0.000 1.109 433 L HN 0.332 8.860 8.230 0.497 0.000 0.462 434 D N 3.486 124.097 120.400 0.352 0.000 2.599 434 D HA 0.326 nan 4.640 nan 0.000 0.252 434 D C -2.507 173.923 176.300 0.217 0.000 1.232 434 D CA -1.033 53.141 54.000 0.290 0.000 0.819 434 D CB 3.880 44.792 40.800 0.188 0.000 1.401 434 D HN 0.737 9.292 8.370 0.309 0.000 0.429 435 H N -2.255 116.896 119.070 0.135 0.000 2.946 435 H HA 0.740 nan 4.556 nan 0.000 0.365 435 H C -1.483 173.844 175.328 -0.002 0.000 1.197 435 H CA -2.107 53.983 56.048 0.070 0.000 1.131 435 H CB 3.007 32.826 29.762 0.094 0.000 1.849 435 H HN 0.015 8.099 8.280 -0.326 0.000 0.555 436 E N 1.150 121.437 120.200 0.144 0.000 2.390 436 E HA 0.041 nan 4.350 nan 0.000 0.261 436 E C -1.613 175.033 176.600 0.077 0.000 1.076 436 E CA -1.913 54.522 56.400 0.058 0.000 0.905 436 E CB 1.180 30.917 29.700 0.062 0.000 0.984 436 E HN 0.057 8.531 8.360 0.189 0.000 0.427 437 P HA 0.100 nan 4.420 nan 0.000 0.275 437 P C -2.055 175.259 177.300 0.023 0.000 1.228 437 P CA 0.286 63.275 63.100 -0.186 0.000 0.786 437 P CB 0.599 32.397 31.700 0.163 0.000 0.927 438 F N -4.093 115.906 119.950 0.081 0.000 2.711 438 F HA 0.650 nan 4.527 nan 0.000 0.313 438 F C -2.170 173.561 175.800 -0.116 0.000 1.141 438 F CA -2.238 55.726 58.000 -0.059 0.000 0.941 438 F CB 2.267 41.160 39.000 -0.178 0.000 1.349 438 F HN -0.497 7.452 8.300 -0.584 0.000 0.464 439 T N -1.412 113.173 114.554 0.051 0.000 2.901 439 T HA 0.786 nan 4.350 nan 0.000 0.293 439 T C -2.119 172.479 174.700 -0.170 0.000 1.084 439 T CA -1.950 60.088 62.100 -0.104 0.000 1.008 439 T CB 3.155 71.997 68.868 -0.042 0.000 1.170 439 T HN 0.262 8.579 8.240 0.128 0.000 0.509 440 Y N 0.323 120.712 120.300 0.148 0.000 2.429 440 Y HA 0.610 nan 4.550 nan 0.000 0.342 440 Y C -1.773 174.153 175.900 0.044 0.000 1.004 440 Y CA -2.020 56.147 58.100 0.113 0.000 1.075 440 Y CB 3.299 41.833 38.460 0.123 0.000 1.214 440 Y HN 0.573 8.905 8.280 0.086 0.000 0.455 441 N N 1.873 120.685 118.700 0.187 0.000 2.448 441 N HA 0.459 nan 4.740 nan 0.000 0.279 441 N C -2.212 173.338 175.510 0.066 0.000 1.025 441 N CA -0.755 52.346 53.050 0.087 0.000 0.898 441 N CB 2.982 41.498 38.487 0.048 0.000 1.303 441 N HN 0.604 9.105 8.380 0.203 0.000 0.495 442 I N 6.655 127.237 120.570 0.019 0.000 2.406 442 I HA 0.590 nan 4.170 nan 0.000 0.290 442 I C -2.311 173.783 176.117 -0.038 0.000 0.999 442 I CA -2.383 58.909 61.300 -0.012 0.000 1.124 442 I CB 3.080 41.055 38.000 -0.040 0.000 1.289 442 I HN 0.578 8.785 8.210 -0.006 0.000 0.441 443 V N 9.774 129.673 119.914 -0.025 0.000 2.407 443 V HA 0.529 nan 4.120 nan 0.000 0.278 443 V C -1.549 174.529 176.094 -0.026 0.000 1.037 443 V CA -0.877 61.409 62.300 -0.023 0.000 0.900 443 V CB 0.461 32.278 31.823 -0.009 0.000 0.983 443 V HN 0.612 8.793 8.190 -0.016 0.000 0.459 444 V N 7.609 127.509 119.914 -0.025 0.000 2.735 444 V HA 0.581 nan 4.120 nan 0.000 0.310 444 V C -2.072 174.023 176.094 0.003 0.000 1.061 444 V CA -1.862 60.429 62.300 -0.015 0.000 0.913 444 V CB 3.631 35.441 31.823 -0.022 0.000 1.005 444 V HN 0.923 8.993 8.190 -0.023 0.106 0.428 445 E N 5.606 125.813 120.200 0.010 0.000 2.133 445 E HA 0.320 nan 4.350 nan 0.000 0.274 445 E C -2.037 174.579 176.600 0.027 0.000 0.930 445 E CA -2.211 54.197 56.400 0.015 0.000 0.770 445 E CB 2.506 32.212 29.700 0.009 0.000 1.104 445 E HN 0.736 9.101 8.360 0.009 0.000 0.403 446 N N 6.875 125.592 118.700 0.029 0.000 2.527 446 N HA 0.272 nan 4.740 nan 0.000 0.236 446 N C 0.589 176.111 175.510 0.020 0.000 0.999 446 N CA -1.577 51.497 53.050 0.040 0.000 0.935 446 N CB 0.526 39.039 38.487 0.044 0.000 1.132 446 N HN 0.245 8.638 8.380 0.023 0.000 0.511 447 N N 7.615 126.320 118.700 0.010 0.000 2.270 447 N HA -0.164 nan 4.740 nan 0.000 0.181 447 N C 0.483 175.987 175.510 -0.010 0.000 1.016 447 N CA 1.894 54.940 53.050 -0.006 0.000 0.870 447 N CB 0.101 38.576 38.487 -0.019 0.000 0.979 447 N HN 0.838 9.134 8.380 0.014 0.093 0.431 448 S N 0.885 116.579 115.700 -0.010 0.000 2.589 448 S HA 0.015 nan 4.470 nan 0.000 0.265 448 S C 1.325 175.924 174.600 -0.001 0.000 1.342 448 S CA 0.467 58.660 58.200 -0.013 0.000 1.005 448 S CB 0.852 64.045 63.200 -0.011 0.000 0.909 448 S HN -0.334 8.198 8.310 -0.000 -0.222 0.555 449 G N -0.952 107.846 108.800 -0.002 0.000 2.421 449 G HA2 -0.163 nan 3.960 nan 0.000 0.217 449 G HA3 -0.163 nan 3.960 nan 0.000 0.217 449 G C -1.135 173.769 174.900 0.005 0.000 1.143 449 G CA 0.384 45.484 45.100 0.001 0.000 0.784 449 G HN 0.423 8.708 8.290 -0.007 0.000 0.541 450 A N -0.553 122.272 122.820 0.010 0.000 2.288 450 A HA 0.235 nan 4.320 nan 0.000 0.328 450 A C -1.642 175.944 177.584 0.004 0.000 1.123 450 A CA -1.101 50.943 52.037 0.011 0.000 0.861 450 A CB 2.102 21.117 19.000 0.025 0.000 1.272 450 A HN -0.795 7.322 8.150 0.011 0.040 0.490 451 E N -0.464 119.723 120.200 -0.020 0.000 2.373 451 E HA -0.089 nan 4.350 nan 0.000 0.267 451 E C -1.088 175.443 176.600 -0.115 0.000 1.032 451 E CA 0.622 56.976 56.400 -0.077 0.000 0.889 451 E CB 0.609 30.235 29.700 -0.123 0.000 0.984 451 E HN 0.089 8.442 8.360 -0.012 0.000 0.425 452 K N 1.286 121.606 120.400 -0.134 0.000 2.295 452 K HA 0.445 nan 4.320 nan 0.000 0.239 452 K C -1.447 174.965 176.600 -0.315 0.000 0.991 452 K CA -2.541 53.701 56.287 -0.076 0.000 0.845 452 K CB 3.331 35.950 32.500 0.197 0.000 1.197 452 K HN 0.694 8.771 8.250 -0.115 0.104 0.441 453 H N -0.344 118.777 119.070 0.086 0.000 2.547 453 H HA 0.814 nan 4.556 nan 0.000 0.342 453 H C -0.669 174.608 175.328 -0.086 0.000 1.048 453 H CA -0.982 55.105 56.048 0.065 0.000 1.204 453 H CB 2.524 32.591 29.762 0.508 0.000 1.493 453 H HN 0.474 8.872 8.280 0.196 0.000 0.511 454 S N 2.619 118.160 115.700 -0.264 0.000 2.570 454 S HA 0.634 nan 4.470 nan 0.000 0.286 454 S C -1.150 173.324 174.600 -0.210 0.000 1.099 454 S CA -1.607 56.432 58.200 -0.267 0.000 0.913 454 S CB 2.518 65.511 63.200 -0.344 0.000 1.085 454 S HN 0.931 8.857 8.310 -0.640 0.000 0.480 455 T N 3.553 118.047 114.554 -0.100 0.000 2.749 455 T HA 0.476 nan 4.350 nan 0.000 0.287 455 T C -0.955 173.593 174.700 -0.255 0.000 0.970 455 T CA -0.005 62.051 62.100 -0.073 0.000 0.980 455 T CB 0.726 69.623 68.868 0.047 0.000 0.924 455 T HN 0.234 8.398 8.240 -0.127 0.000 0.456 456 V N 8.116 127.705 119.914 -0.540 0.000 2.439 456 V HA 0.508 nan 4.120 nan 0.000 0.282 456 V C -1.282 174.545 176.094 -0.445 0.000 1.039 456 V CA -0.882 61.051 62.300 -0.611 0.000 0.913 456 V CB 0.822 31.997 31.823 -1.080 0.000 0.983 456 V HN 1.151 8.794 8.190 -0.742 0.102 0.460 457 R N 6.029 126.424 120.500 -0.175 0.000 2.480 457 R HA 0.855 nan 4.340 nan 0.000 0.306 457 R C -1.478 174.843 176.300 0.036 0.000 0.958 457 R CA -1.447 54.655 56.100 0.003 0.000 0.861 457 R CB 2.677 33.141 30.300 0.274 0.000 1.171 457 R HN 0.944 9.127 8.270 -0.145 0.000 0.445 458 I N 2.932 123.445 120.570 -0.096 0.000 2.498 458 I HA 0.677 nan 4.170 nan 0.000 0.290 458 I C -1.713 174.289 176.117 -0.191 0.000 1.032 458 I CA -0.977 60.286 61.300 -0.060 0.000 1.073 458 I CB 3.121 40.992 38.000 -0.215 0.000 1.251 458 I HN 0.756 8.839 8.210 -0.211 0.000 0.426 459 F N 4.969 125.063 119.950 0.240 0.000 2.620 459 F HA 0.804 nan 4.527 nan 0.000 0.320 459 F C -2.205 173.750 175.800 0.258 0.000 1.069 459 F CA -1.562 56.587 58.000 0.248 0.000 0.953 459 F CB 4.553 43.697 39.000 0.239 0.000 1.322 459 F HN 0.580 9.182 8.300 0.504 0.000 0.479 460 L N 0.520 121.992 121.223 0.415 0.000 2.386 460 L HA 0.858 nan 4.340 nan 0.000 0.271 460 L C -2.499 174.536 176.870 0.274 0.000 0.993 460 L CA -1.683 53.334 54.840 0.295 0.000 0.819 460 L CB 4.189 46.310 42.059 0.102 0.000 1.294 460 L HN 0.637 9.103 8.230 0.394 0.000 0.414 461 A N 4.725 127.675 122.820 0.217 0.000 2.515 461 A HA 0.759 nan 4.320 nan 0.000 0.298 461 A C -3.601 174.009 177.584 0.043 0.000 1.059 461 A CA -2.762 49.196 52.037 -0.132 0.000 0.698 461 A CB 2.346 20.758 19.000 -0.979 0.000 1.289 461 A HN 0.802 9.130 8.150 0.296 0.000 0.404 462 P HA 0.089 nan 4.420 nan 0.000 0.271 462 P C -1.123 175.988 177.300 -0.315 0.000 1.216 462 P CA -0.550 62.361 63.100 -0.314 0.000 0.771 462 P CB 0.459 31.994 31.700 -0.275 0.000 0.864 463 K N 1.003 121.185 120.400 -0.364 0.000 2.076 463 K HA -0.076 nan 4.320 nan 0.000 0.204 463 K C 0.127 176.454 176.600 -0.455 0.000 1.051 463 K CA 2.281 58.347 56.287 -0.367 0.000 0.949 463 K CB 1.057 33.303 32.500 -0.423 0.000 0.726 463 K HN -0.119 7.829 8.250 -0.504 0.000 0.443 464 Y N -4.510 115.639 120.300 -0.252 0.000 2.310 464 Y HA -0.012 nan 4.550 nan 0.000 0.326 464 Y C -0.248 175.551 175.900 -0.169 0.000 1.151 464 Y CA 0.682 58.672 58.100 -0.183 0.000 1.195 464 Y CB 0.698 39.054 38.460 -0.173 0.000 1.210 464 Y HN -0.591 7.627 8.280 -0.104 0.000 0.483 465 D N 2.607 123.017 120.400 0.017 0.000 2.507 465 D HA 0.096 nan 4.640 nan 0.000 0.280 465 D C -0.005 176.299 176.300 0.007 0.000 1.219 465 D CA -1.402 52.587 54.000 -0.018 0.000 1.085 465 D CB 1.679 42.456 40.800 -0.037 0.000 1.134 465 D HN -0.292 8.093 8.370 0.027 0.000 0.583 466 E N -1.620 118.571 120.200 -0.015 0.000 2.435 466 E HA -0.020 nan 4.350 nan 0.000 0.195 466 E C 0.233 176.830 176.600 -0.004 0.000 1.029 466 E CA 1.347 57.739 56.400 -0.014 0.000 0.865 466 E CB 0.169 29.856 29.700 -0.021 0.000 0.833 466 E HN 0.356 8.700 8.360 -0.026 0.000 0.510 467 L N -1.692 119.533 121.223 0.003 0.000 2.416 467 L HA 0.209 nan 4.340 nan 0.000 0.188 467 L C 0.705 177.588 176.870 0.022 0.000 1.145 467 L CA 1.338 56.181 54.840 0.005 0.000 0.826 467 L CB -0.458 41.599 42.059 -0.003 0.000 1.064 467 L HN -0.167 7.989 8.230 0.002 0.075 0.490 468 N N -3.572 115.150 118.700 0.035 0.000 3.449 468 N HA -0.005 nan 4.740 nan 0.000 0.312 468 N C -1.962 173.593 175.510 0.074 0.000 1.557 468 N CA -0.620 52.478 53.050 0.080 0.000 0.864 468 N CB 1.637 40.155 38.487 0.052 0.000 1.799 468 N HN -0.558 7.833 8.380 0.019 0.000 0.554 469 N N -0.068 118.662 118.700 0.051 0.000 2.416 469 N HA -0.150 nan 4.740 nan 0.000 0.271 469 N C -1.308 174.089 175.510 -0.189 0.000 1.245 469 N CA 1.217 54.127 53.050 -0.232 0.000 0.940 469 N CB 0.149 38.453 38.487 -0.306 0.000 1.175 469 N HN 0.243 8.691 8.380 0.114 0.000 0.483 470 K N 4.655 124.942 120.400 -0.188 0.000 2.761 470 K HA 0.210 nan 4.320 nan 0.000 0.257 470 K C -1.217 175.310 176.600 -0.121 0.000 1.053 470 K CA -0.971 55.243 56.287 -0.122 0.000 1.035 470 K CB 1.270 33.726 32.500 -0.072 0.000 1.267 470 K HN -0.245 7.873 8.250 -0.220 0.000 0.505 471 L N 6.122 127.280 121.223 -0.109 0.000 2.416 471 L HA 0.026 nan 4.340 nan 0.000 0.243 471 L C -0.953 175.894 176.870 -0.038 0.000 1.373 471 L CA -0.585 54.205 54.840 -0.083 0.000 1.227 471 L CB -1.267 40.759 42.059 -0.054 0.000 1.428 471 L HN 0.645 8.814 8.230 -0.102 0.000 0.425 472 E N 2.199 122.368 120.200 -0.053 0.000 2.052 472 E HA 0.204 nan 4.350 nan 0.000 0.283 472 E C -1.394 175.194 176.600 -0.020 0.000 1.071 472 E CA -2.519 53.866 56.400 -0.026 0.000 0.851 472 E CB 0.012 29.693 29.700 -0.031 0.000 1.066 472 E HN -0.159 8.110 8.360 -0.080 0.043 0.396 473 P HA -0.257 nan 4.420 nan 0.000 0.219 473 P C 0.709 178.025 177.300 0.025 0.000 1.146 473 P CA 2.531 65.654 63.100 0.039 0.000 0.808 473 P CB 0.172 31.878 31.700 0.010 0.000 0.779 474 D N -1.630 118.772 120.400 0.005 0.000 2.097 474 D HA -0.257 nan 4.640 nan 0.000 0.195 474 D C 2.554 178.853 176.300 -0.001 0.000 0.989 474 D CA 3.093 57.096 54.000 0.005 0.000 0.827 474 D CB -0.379 40.422 40.800 0.002 0.000 0.966 474 D HN 0.309 8.657 8.370 0.004 0.024 0.456 475 E N -0.526 119.656 120.200 -0.030 0.000 2.106 475 E HA -0.305 nan 4.350 nan 0.000 0.192 475 E C 2.639 179.171 176.600 -0.113 0.000 0.984 475 E CA 2.596 58.960 56.400 -0.061 0.000 0.806 475 E CB -0.106 29.548 29.700 -0.076 0.000 0.750 475 E HN -0.485 7.856 8.360 -0.031 0.000 0.458 476 Q N -1.669 118.043 119.800 -0.147 0.000 2.234 476 Q HA -0.311 nan 4.340 nan 0.000 0.206 476 Q C 2.066 177.857 176.000 -0.349 0.000 0.980 476 Q CA 2.802 58.361 55.803 -0.407 0.000 0.869 476 Q CB -0.361 28.133 28.738 -0.406 0.000 0.912 476 Q HN -0.220 7.882 8.270 -0.081 0.119 0.436 477 R N -1.711 118.824 120.500 0.058 0.000 2.091 477 R HA -0.294 nan 4.340 nan 0.000 0.238 477 R C 1.955 178.284 176.300 0.049 0.000 1.136 477 R CA 2.694 58.905 56.100 0.186 0.000 0.959 477 R CB -0.548 29.839 30.300 0.145 0.000 0.856 477 R HN -0.671 7.500 8.270 0.062 0.136 0.437 478 R N -3.154 117.326 120.500 -0.034 0.000 2.075 478 R HA -0.113 nan 4.340 nan 0.000 0.232 478 R C 2.002 178.238 176.300 -0.107 0.000 1.126 478 R CA 1.480 57.552 56.100 -0.046 0.000 0.963 478 R CB -0.188 30.087 30.300 -0.042 0.000 0.858 478 R HN -0.530 7.716 8.270 -0.040 0.000 0.435 479 L N -1.717 119.376 121.223 -0.217 0.000 2.156 479 L HA -0.187 nan 4.340 nan 0.000 0.208 479 L C 0.615 177.317 176.870 -0.279 0.000 1.095 479 L CA 1.542 56.219 54.840 -0.273 0.000 0.770 479 L CB 0.091 41.903 42.059 -0.412 0.000 0.914 479 L HN -0.742 7.192 8.230 -0.268 0.135 0.439 480 F N -2.576 117.202 119.950 -0.286 0.000 2.608 480 F HA -0.197 nan 4.527 nan 0.000 0.380 480 F C 0.251 176.008 175.800 -0.072 0.000 1.083 480 F CA 1.716 59.521 58.000 -0.325 0.000 1.266 480 F CB 0.154 38.586 39.000 -0.946 0.000 1.076 480 F HN -0.628 7.406 8.300 -0.442 0.000 0.574 481 I N -1.449 119.285 120.570 0.273 0.000 2.530 481 I HA 0.483 nan 4.170 nan 0.000 0.297 481 I C -1.733 174.577 176.117 0.322 0.000 1.011 481 I CA -2.244 59.190 61.300 0.224 0.000 1.107 481 I CB 3.432 41.474 38.000 0.071 0.000 1.285 481 I HN 0.668 9.045 8.210 0.277 0.000 0.436 482 E N 4.780 125.098 120.200 0.197 0.000 2.152 482 E HA 0.132 nan 4.350 nan 0.000 0.285 482 E C -0.244 176.245 176.600 -0.184 0.000 1.043 482 E CA -1.053 55.172 56.400 -0.291 0.000 0.839 482 E CB 1.236 30.867 29.700 -0.114 0.000 1.069 482 E HN -0.208 8.548 8.360 0.256 -0.242 0.399 483 L N 5.944 127.026 121.223 -0.235 0.000 2.095 483 L HA -0.035 nan 4.340 nan 0.000 0.204 483 L C -0.456 176.380 176.870 -0.057 0.000 1.080 483 L CA 1.860 56.667 54.840 -0.056 0.000 0.759 483 L CB 0.441 42.523 42.059 0.038 0.000 0.914 483 L HN 0.447 8.440 8.230 -0.396 0.000 0.439 484 D N -5.458 114.859 120.400 -0.139 0.000 2.720 484 D HA 0.142 nan 4.640 nan 0.000 0.239 484 D C -2.795 173.502 176.300 -0.005 0.000 1.218 484 D CA -0.095 53.904 54.000 -0.001 0.000 0.748 484 D CB 3.286 44.184 40.800 0.163 0.000 1.387 484 D HN -0.636 7.556 8.370 -0.297 0.000 0.438 485 K N 2.263 122.722 120.400 0.098 0.000 2.535 485 K HA 0.762 nan 4.320 nan 0.000 0.250 485 K C -1.914 174.804 176.600 0.196 0.000 0.948 485 K CA -0.576 55.742 56.287 0.050 0.000 0.796 485 K CB 2.980 35.499 32.500 0.033 0.000 1.216 485 K HN -0.259 8.077 8.250 0.144 0.000 0.432 486 F N 1.318 121.293 119.950 0.042 0.000 2.713 486 F HA 0.319 nan 4.527 nan 0.000 0.311 486 F C -3.117 172.760 175.800 0.128 0.000 1.141 486 F CA -1.932 56.117 58.000 0.081 0.000 0.939 486 F CB 1.965 41.003 39.000 0.062 0.000 1.325 486 F HN 0.179 8.184 8.300 -0.492 0.000 0.453 487 F N 0.163 120.226 119.950 0.188 0.000 2.421 487 F HA 0.689 nan 4.527 nan 0.000 0.337 487 F C -2.197 173.723 175.800 0.199 0.000 1.105 487 F CA -1.123 56.898 58.000 0.036 0.000 1.049 487 F CB 2.140 41.035 39.000 -0.176 0.000 1.139 487 F HN -0.200 8.418 8.300 0.530 0.000 0.479 488 Y N 7.544 127.092 120.300 -1.254 0.000 2.562 488 Y HA 0.225 nan 4.550 nan 0.000 0.345 488 Y C -2.466 172.780 175.900 -1.089 0.000 1.045 488 Y CA -0.743 56.882 58.100 -0.792 0.000 1.028 488 Y CB 4.785 43.095 38.460 -0.249 0.000 1.297 488 Y HN 0.719 8.246 8.280 -1.255 0.000 0.463 489 T N 5.392 119.352 114.554 -0.991 0.000 2.823 489 T HA 0.640 nan 4.350 nan 0.000 0.279 489 T C -1.466 173.064 174.700 -0.283 0.000 0.998 489 T CA -0.616 61.158 62.100 -0.543 0.000 0.994 489 T CB 0.941 69.611 68.868 -0.330 0.000 0.960 489 T HN -0.003 7.261 8.240 -1.628 0.000 0.448 490 L N 6.311 127.445 121.223 -0.148 0.000 2.346 490 L HA 0.446 nan 4.340 nan 0.000 0.276 490 L C -0.535 176.309 176.870 -0.044 0.000 1.006 490 L CA -1.420 53.417 54.840 -0.005 0.000 0.817 490 L CB 2.462 44.540 42.059 0.031 0.000 1.272 490 L HN 1.022 8.997 8.230 -0.229 0.117 0.421 491 T N 0.017 114.567 114.554 -0.007 0.000 2.862 491 T HA 0.492 nan 4.350 nan 0.000 0.276 491 T C -2.156 172.547 174.700 0.004 0.000 0.974 491 T CA -3.143 58.950 62.100 -0.013 0.000 0.966 491 T CB -0.482 68.384 68.868 -0.004 0.000 1.072 491 T HN -0.247 8.171 8.240 0.027 -0.162 0.538 492 P HA -0.014 nan 4.420 nan 0.000 0.274 492 P C -0.896 176.411 177.300 0.011 0.000 1.231 492 P CA -0.018 63.087 63.100 0.009 0.000 0.790 492 P CB 0.268 31.971 31.700 0.005 0.000 0.951 493 G N 2.050 110.857 108.800 0.011 0.000 2.627 493 G HA2 -0.364 nan 3.960 nan 0.000 0.214 493 G HA3 -0.364 nan 3.960 nan 0.000 0.214 493 G C -1.745 173.164 174.900 0.014 0.000 1.331 493 G CA -0.583 44.524 45.100 0.011 0.000 0.891 493 G HN 0.044 8.341 8.290 0.012 0.000 0.539 494 K N 1.088 121.495 120.400 0.012 0.000 2.237 494 K HA 0.270 nan 4.320 nan 0.000 0.270 494 K C -0.715 175.895 176.600 0.017 0.000 1.015 494 K CA 0.520 56.815 56.287 0.012 0.000 0.949 494 K CB 0.820 33.325 32.500 0.008 0.000 0.976 494 K HN 0.104 8.360 8.250 0.011 0.000 0.472 495 N N 2.318 121.027 118.700 0.015 0.000 2.242 495 N HA 0.313 nan 4.740 nan 0.000 0.292 495 N C -2.231 173.274 175.510 -0.007 0.000 1.125 495 N CA -0.679 52.385 53.050 0.023 0.000 0.783 495 N CB 5.093 43.610 38.487 0.050 0.000 1.558 495 N HN 0.312 8.697 8.380 0.007 0.000 0.472 496 T N -2.325 112.220 114.554 -0.015 0.000 2.840 496 T HA 0.582 nan 4.350 nan 0.000 0.287 496 T C -0.879 173.750 174.700 -0.118 0.000 0.991 496 T CA -1.437 60.635 62.100 -0.048 0.000 0.964 496 T CB 1.141 69.997 68.868 -0.019 0.000 0.954 496 T HN 0.126 8.373 8.240 0.011 0.000 0.438 497 I N 6.815 127.263 120.570 -0.204 0.000 2.378 497 I HA 0.338 nan 4.170 nan 0.000 0.291 497 I C -1.401 174.611 176.117 -0.175 0.000 0.992 497 I CA -0.852 60.209 61.300 -0.398 0.000 1.154 497 I CB 2.520 40.153 38.000 -0.611 0.000 1.315 497 I HN 0.773 8.787 8.210 -0.145 0.110 0.448 498 V N 7.396 127.227 119.914 -0.138 0.000 2.555 498 V HA 0.554 nan 4.120 nan 0.000 0.302 498 V C -1.247 174.794 176.094 -0.088 0.000 1.038 498 V CA -1.524 60.745 62.300 -0.052 0.000 0.887 498 V CB 1.815 33.620 31.823 -0.030 0.000 0.991 498 V HN 0.282 8.372 8.190 -0.167 0.000 0.434 499 R N 7.728 128.203 120.500 -0.042 0.000 2.725 499 R HA 0.473 nan 4.340 nan 0.000 0.277 499 R C -2.294 173.970 176.300 -0.059 0.000 0.987 499 R CA -2.562 53.450 56.100 -0.147 0.000 0.901 499 R CB 4.149 34.237 30.300 -0.353 0.000 1.207 499 R HN 0.223 8.532 8.270 0.065 0.000 0.463 500 N N 3.481 122.091 118.700 -0.150 0.000 2.466 500 N HA 0.358 nan 4.740 nan 0.000 0.294 500 N C 1.135 176.489 175.510 -0.261 0.000 1.129 500 N CA -1.411 51.515 53.050 -0.206 0.000 0.931 500 N CB 1.481 39.822 38.487 -0.243 0.000 1.193 500 N HN 0.352 8.614 8.380 -0.198 0.000 0.500 501 H N 0.514 119.312 119.070 -0.452 0.000 2.421 501 H HA -0.310 nan 4.556 nan 0.000 0.298 501 H C 2.133 177.321 175.328 -0.234 0.000 1.087 501 H CA 3.719 59.460 56.048 -0.512 0.000 1.330 501 H CB -0.045 28.954 29.762 -1.272 0.000 1.388 501 H HN 0.580 8.598 8.280 -0.438 0.000 0.526 502 Q N -1.153 117.951 119.800 -1.159 0.000 2.135 502 Q HA -0.335 nan 4.340 nan 0.000 0.204 502 Q C 0.801 176.608 176.000 -0.320 0.000 0.981 502 Q CA 2.612 57.952 55.803 -0.772 0.000 0.856 502 Q CB -0.838 27.536 28.738 -0.608 0.000 0.902 502 Q HN 0.342 7.862 8.270 -1.194 0.034 0.425 503 D N -2.566 117.677 120.400 -0.263 0.000 2.310 503 D HA -0.012 nan 4.640 nan 0.000 0.212 503 D C 0.480 176.723 176.300 -0.095 0.000 0.965 503 D CA 0.545 54.447 54.000 -0.164 0.000 0.879 503 D CB 0.164 40.852 40.800 -0.186 0.000 0.921 503 D HN -0.604 7.651 8.370 -0.314 -0.073 0.510 504 S N 0.718 116.385 115.700 -0.055 0.000 2.715 504 S HA -0.350 nan 4.470 nan 0.000 0.318 504 S C 0.822 175.417 174.600 -0.008 0.000 1.242 504 S CA 0.614 58.822 58.200 0.014 0.000 1.044 504 S CB 0.342 63.587 63.200 0.074 0.000 0.760 504 S HN -0.474 7.594 8.310 -0.086 0.191 0.501 505 S N 8.727 124.423 115.700 -0.007 0.000 2.453 505 S HA -0.171 nan 4.470 nan 0.000 0.231 505 S C 1.624 176.162 174.600 -0.103 0.000 1.005 505 S CA 3.252 61.435 58.200 -0.028 0.000 0.949 505 S CB 0.107 63.305 63.200 -0.003 0.000 0.774 505 S HN 0.141 8.755 8.310 0.025 -0.290 0.510 506 V N -6.250 113.549 119.914 -0.193 0.000 2.719 506 V HA 0.046 nan 4.120 nan 0.000 0.252 506 V C -0.514 175.497 176.094 -0.139 0.000 1.065 506 V CA 1.435 63.469 62.300 -0.444 0.000 1.086 506 V CB -0.836 30.615 31.823 -0.619 0.000 0.700 506 V HN -0.631 7.447 8.190 -0.134 0.032 0.467 507 T N -3.819 110.739 114.554 0.006 0.000 2.945 507 T HA 0.540 nan 4.350 nan 0.000 0.286 507 T C -1.399 173.343 174.700 0.070 0.000 1.025 507 T CA -2.694 59.466 62.100 0.100 0.000 1.039 507 T CB 2.428 71.370 68.868 0.123 0.000 1.068 507 T HN -0.707 7.485 8.240 -0.011 0.042 0.497 508 I N 2.314 122.933 120.570 0.082 0.000 2.416 508 I HA 0.058 nan 4.170 nan 0.000 0.288 508 I C -0.027 176.105 176.117 0.024 0.000 1.051 508 I CA -1.979 59.351 61.300 0.051 0.000 1.375 508 I CB 1.711 39.746 38.000 0.058 0.000 1.407 508 I HN 0.123 8.392 8.210 0.099 0.000 0.516 509 S N 9.376 125.077 115.700 0.001 0.000 2.383 509 S HA -0.223 nan 4.470 nan 0.000 0.227 509 S C -0.091 174.504 174.600 -0.009 0.000 1.026 509 S CA 2.311 60.504 58.200 -0.013 0.000 0.981 509 S CB 0.459 63.639 63.200 -0.033 0.000 0.818 509 S HN 0.427 8.995 8.310 -0.005 -0.261 0.472 510 K N -0.928 119.465 120.400 -0.012 0.000 2.589 510 K HA -0.001 nan 4.320 nan 0.000 0.265 510 K C -2.172 174.415 176.600 -0.021 0.000 0.935 510 K CA 0.083 56.363 56.287 -0.012 0.000 0.850 510 K CB 1.916 34.405 32.500 -0.019 0.000 1.372 510 K HN -0.757 7.482 8.250 -0.018 0.000 0.420 511 V N 2.706 122.611 119.914 -0.015 0.000 2.417 511 V HA 0.198 nan 4.120 nan 0.000 0.291 511 V C -0.592 175.482 176.094 -0.034 0.000 1.024 511 V CA -1.467 60.815 62.300 -0.030 0.000 0.861 511 V CB 1.364 33.178 31.823 -0.015 0.000 0.985 511 V HN 0.121 8.309 8.190 -0.004 0.000 0.436 512 R N 5.538 126.007 120.500 -0.051 0.000 2.441 512 R HA 0.207 nan 4.340 nan 0.000 0.284 512 R C -0.712 175.542 176.300 -0.078 0.000 1.070 512 R CA -0.974 55.093 56.100 -0.054 0.000 1.047 512 R CB 0.342 30.606 30.300 -0.060 0.000 1.016 512 R HN 0.211 8.444 8.270 -0.061 0.000 0.477 513 T N 0.714 115.236 114.554 -0.054 0.000 2.810 513 T HA 0.326 nan 4.350 nan 0.000 0.277 513 T C 1.036 175.674 174.700 -0.104 0.000 0.973 513 T CA -1.093 60.975 62.100 -0.053 0.000 0.949 513 T CB 0.869 69.757 68.868 0.034 0.000 1.075 513 T HN 0.018 8.241 8.240 -0.027 0.000 0.537 514 F N 0.942 120.772 119.950 -0.200 0.000 2.126 514 F HA -0.332 nan 4.527 nan 0.000 0.299 514 F C 1.738 177.438 175.800 -0.166 0.000 1.096 514 F CA 4.877 62.681 58.000 -0.328 0.000 1.255 514 F CB -0.023 38.378 39.000 -0.997 0.000 0.997 514 F HN 0.113 8.701 8.300 0.054 -0.256 0.479 515 D N -2.292 118.188 120.400 0.135 0.000 2.117 515 D HA -0.271 nan 4.640 nan 0.000 0.197 515 D C 2.552 178.878 176.300 0.044 0.000 0.987 515 D CA 3.878 57.941 54.000 0.105 0.000 0.829 515 D CB -0.653 40.208 40.800 0.102 0.000 0.961 515 D HN -0.459 8.010 8.370 0.169 0.002 0.460 516 Q N -0.806 119.005 119.800 0.017 0.000 2.050 516 Q HA -0.245 nan 4.340 nan 0.000 0.202 516 Q C 2.754 178.743 176.000 -0.018 0.000 0.980 516 Q CA 3.038 58.837 55.803 -0.006 0.000 0.840 516 Q CB -0.056 28.668 28.738 -0.023 0.000 0.898 516 Q HN -0.785 7.323 8.270 0.014 0.170 0.424 517 L N -2.089 119.114 121.223 -0.034 0.000 2.056 517 L HA -0.324 nan 4.340 nan 0.000 0.207 517 L C 1.698 178.556 176.870 -0.020 0.000 1.078 517 L CA 2.169 56.982 54.840 -0.046 0.000 0.749 517 L CB -0.377 41.627 42.059 -0.092 0.000 0.901 517 L HN -0.055 8.061 8.230 -0.044 0.087 0.433 518 G N -3.891 104.914 108.800 0.008 0.000 2.442 518 G HA2 -0.222 nan 3.960 nan 0.000 0.219 518 G HA3 -0.222 nan 3.960 nan 0.000 0.219 518 G C 0.305 175.206 174.900 0.001 0.000 1.141 518 G CA 1.316 46.425 45.100 0.016 0.000 0.763 518 G HN -0.205 8.098 8.290 0.023 0.000 0.554 519 A N 0.617 123.436 122.820 -0.000 0.000 1.902 519 A HA -0.119 nan 4.320 nan 0.000 0.217 519 A C -0.193 177.382 177.584 -0.015 0.000 1.181 519 A CA 0.972 53.005 52.037 -0.007 0.000 0.623 519 A CB 0.946 19.942 19.000 -0.007 0.000 0.818 519 A HN -0.610 7.461 8.150 0.005 0.082 0.443 520 G N -3.646 105.141 108.800 -0.022 0.000 2.525 520 G HA2 -0.226 nan 3.960 nan 0.000 0.685 520 G HA3 -0.226 nan 3.960 nan 0.000 0.685 520 G C -2.420 172.460 174.900 -0.033 0.000 1.285 520 G CA -0.379 44.703 45.100 -0.030 0.000 0.849 520 G HN -0.572 7.647 8.290 -0.022 0.057 0.653 521 E N -0.321 119.855 120.200 -0.040 0.000 2.449 521 E HA 0.292 nan 4.350 nan 0.000 0.278 521 E C -0.870 175.703 176.600 -0.045 0.000 0.992 521 E CA -0.986 55.390 56.400 -0.040 0.000 0.807 521 E CB 3.484 33.159 29.700 -0.042 0.000 1.350 521 E HN 0.272 8.605 8.360 -0.044 0.000 0.462 522 G N 0.244 109.018 108.800 -0.043 0.000 2.719 522 G HA2 0.301 nan 3.960 nan 0.000 0.298 522 G HA3 0.301 nan 3.960 nan 0.000 0.298 522 G C -1.908 172.966 174.900 -0.044 0.000 1.411 522 G CA 0.255 45.327 45.100 -0.046 0.000 0.991 522 G HN 0.125 8.390 8.290 -0.040 0.000 0.509 523 V N 0.532 120.417 119.914 -0.047 0.000 3.109 523 V HA 0.236 nan 4.120 nan 0.000 0.311 523 V C -1.099 174.969 176.094 -0.044 0.000 1.389 523 V CA -1.987 60.286 62.300 -0.044 0.000 1.034 523 V CB 2.077 33.872 31.823 -0.047 0.000 1.105 523 V HN 0.200 8.359 8.190 -0.052 0.000 0.477 524 S N 0.268 115.943 115.700 -0.041 0.000 2.624 524 S HA 0.080 nan 4.470 nan 0.000 0.263 524 S C -1.044 173.531 174.600 -0.042 0.000 1.287 524 S CA 0.216 58.393 58.200 -0.037 0.000 0.990 524 S CB 0.716 63.897 63.200 -0.032 0.000 0.950 524 S HN 0.039 8.326 8.310 -0.039 0.000 0.561 525 E N 1.435 121.612 120.200 -0.038 0.000 1.936 525 E HA 0.022 nan 4.350 nan 0.000 0.267 525 E C -1.603 174.978 176.600 -0.032 0.000 1.076 525 E CA 0.168 56.543 56.400 -0.043 0.000 0.870 525 E CB 0.204 29.881 29.700 -0.040 0.000 1.093 525 E HN 0.261 8.601 8.360 -0.033 0.000 0.411 526 D N 2.719 123.099 120.400 -0.033 0.000 3.703 526 D HA 0.414 nan 4.640 nan 0.000 0.315 526 D C -2.029 174.259 176.300 -0.020 0.000 1.464 526 D CA -0.542 53.448 54.000 -0.018 0.000 0.982 526 D CB 3.448 44.240 40.800 -0.014 0.000 1.391 526 D HN -0.371 7.973 8.370 -0.045 0.000 0.625 527 S N -0.061 115.636 115.700 -0.005 0.000 2.647 527 S HA 0.377 nan 4.470 nan 0.000 0.300 527 S C -1.132 173.457 174.600 -0.018 0.000 1.129 527 S CA -0.893 57.306 58.200 -0.002 0.000 1.029 527 S CB 1.985 65.211 63.200 0.044 0.000 1.007 527 S HN 0.055 8.663 8.310 0.009 -0.293 0.484 528 T N -1.280 113.254 114.554 -0.033 0.000 2.654 528 T HA 0.259 nan 4.350 nan 0.000 0.289 528 T C -1.234 173.422 174.700 -0.073 0.000 1.062 528 T CA -1.407 60.654 62.100 -0.066 0.000 1.041 528 T CB 2.500 71.324 68.868 -0.074 0.000 1.417 528 T HN -0.465 7.760 8.240 -0.024 0.000 0.510 529 E N 0.745 120.861 120.200 -0.141 0.000 2.384 529 E HA 0.102 nan 4.350 nan 0.000 0.266 529 E C 0.612 177.106 176.600 -0.176 0.000 1.012 529 E CA 0.263 56.529 56.400 -0.224 0.000 0.901 529 E CB 0.311 29.809 29.700 -0.338 0.000 0.967 529 E HN 0.231 8.498 8.360 -0.155 0.000 0.435 530 Y N -0.669 119.573 120.300 -0.095 0.000 2.851 530 Y HA -0.001 nan 4.550 nan 0.000 0.369 530 Y C -0.431 175.412 175.900 -0.095 0.000 1.226 530 Y CA -2.866 55.191 58.100 -0.072 0.000 1.949 530 Y CB -2.458 35.989 38.460 -0.022 0.000 2.059 530 Y HN 0.156 8.105 8.280 -0.552 0.000 0.420 531 C N 1.505 120.726 119.300 -0.133 0.000 3.899 531 C HA -0.452 nan 4.460 nan 0.000 0.297 531 C C -1.274 173.550 174.990 -0.276 0.000 1.371 531 C CA 0.770 59.692 59.018 -0.159 0.000 2.088 531 C CB -2.625 25.064 27.740 -0.085 0.000 1.346 531 C HN 0.168 8.276 8.230 -0.106 0.058 0.658 532 S N -1.670 113.769 115.700 -0.436 0.000 2.638 532 S HA 0.237 nan 4.470 nan 0.000 0.274 532 S C -1.243 173.140 174.600 -0.362 0.000 1.157 532 S CA -0.409 57.428 58.200 -0.605 0.000 0.826 532 S CB 2.894 65.318 63.200 -1.294 0.000 1.139 532 S HN -0.139 7.937 8.310 -0.390 0.000 0.474 533 C N 0.274 119.435 119.300 -0.232 0.000 0.168 533 C HA -0.297 nan 4.460 nan 0.000 0.017 533 C C -1.144 174.052 174.990 0.344 0.000 0.171 533 C CA 0.607 59.713 59.018 0.147 0.000 0.499 533 C CB 0.069 27.867 27.740 0.096 0.000 3.212 533 C HN 0.611 8.581 8.230 -0.434 0.000 1.118 534 G N -2.835 106.342 108.800 0.628 0.000 2.788 534 G HA2 -0.210 nan 3.960 nan 0.000 0.686 534 G HA3 -0.210 nan 3.960 nan 0.000 0.686 534 G C -1.005 174.105 174.900 0.349 0.000 1.147 534 G CA -0.622 44.734 45.100 0.427 0.000 0.755 534 G HN 0.129 8.952 8.290 0.889 0.000 0.634 535 W N 2.594 123.870 121.300 -0.039 0.000 2.190 535 W HA 0.079 nan 4.660 nan 0.000 0.330 535 W C -1.442 175.036 176.519 -0.069 0.000 1.299 535 W CA -1.852 55.397 57.345 -0.160 0.000 1.215 535 W CB 1.375 30.879 29.460 0.074 0.000 1.147 535 W HN 0.689 9.017 8.180 0.409 0.098 0.563 536 P HA -0.175 nan 4.420 nan 0.000 0.266 536 P C -1.015 176.135 177.300 -0.250 0.000 1.195 536 P CA 0.345 63.248 63.100 -0.328 0.000 0.768 536 P CB 0.385 31.745 31.700 -0.568 0.000 0.838 537 E N 3.994 124.139 120.200 -0.091 0.000 2.077 537 E HA -0.392 nan 4.350 nan 0.000 0.193 537 E C 2.054 178.696 176.600 0.069 0.000 0.989 537 E CA 3.442 59.878 56.400 0.059 0.000 0.800 537 E CB 0.041 29.795 29.700 0.091 0.000 0.746 537 E HN 0.722 9.051 8.360 -0.051 0.000 0.452 538 H N -3.267 115.835 119.070 0.054 0.000 2.421 538 H HA -0.168 nan 4.556 nan 0.000 0.298 538 H C 1.806 177.289 175.328 0.258 0.000 1.087 538 H CA 2.419 58.519 56.048 0.087 0.000 1.330 538 H CB -0.741 29.066 29.762 0.074 0.000 1.388 538 H HN 0.223 8.464 8.280 -0.065 0.000 0.526 539 M N -2.004 117.518 119.600 -0.131 0.000 2.630 539 M HA -0.094 nan 4.480 nan 0.000 0.254 539 M C 1.710 178.221 176.300 0.352 0.000 1.092 539 M CA -0.362 54.998 55.300 0.100 0.000 1.087 539 M CB -1.539 30.965 32.600 -0.160 0.000 1.453 539 M HN -0.694 7.185 8.290 -0.608 0.047 0.509 540 L N -0.041 121.412 121.223 0.382 0.000 2.043 540 L HA -0.275 nan 4.340 nan 0.000 0.212 540 L C -0.455 176.540 176.870 0.207 0.000 1.075 540 L CA 2.935 57.987 54.840 0.354 0.000 0.752 540 L CB 0.232 42.536 42.059 0.408 0.000 0.891 540 L HN -0.511 7.776 8.230 0.389 0.176 0.432 541 I N -4.619 116.014 120.570 0.106 0.000 2.797 541 I HA 0.201 nan 4.170 nan 0.000 0.307 541 I C -1.988 174.151 176.117 0.038 0.000 1.033 541 I CA -3.560 57.718 61.300 -0.038 0.000 1.071 541 I CB 0.833 38.689 38.000 -0.240 0.000 1.255 541 I HN -0.522 7.796 8.210 0.192 0.008 0.445 542 P HA 0.074 nan 4.420 nan 0.000 0.272 542 P C -1.425 175.893 177.300 0.030 0.000 1.240 542 P CA -0.623 62.476 63.100 -0.001 0.000 0.791 542 P CB 0.640 32.275 31.700 -0.110 0.000 0.978 543 R N 0.283 120.843 120.500 0.100 0.000 2.081 543 R HA -0.290 nan 4.340 nan 0.000 0.235 543 R C 0.693 177.053 176.300 0.100 0.000 1.131 543 R CA 1.124 57.251 56.100 0.045 0.000 0.960 543 R CB 0.582 30.753 30.300 -0.214 0.000 0.856 543 R HN -0.110 8.495 8.270 0.165 -0.236 0.436 544 G N -2.129 106.751 108.800 0.133 0.000 2.593 544 G HA2 -0.357 nan 3.960 nan 0.000 0.237 544 G HA3 -0.357 nan 3.960 nan 0.000 0.237 544 G C -1.006 173.989 174.900 0.157 0.000 1.312 544 G CA -0.321 44.915 45.100 0.226 0.000 0.896 544 G HN -0.666 7.708 8.290 0.141 0.000 0.574 545 S N -0.557 115.245 115.700 0.170 0.000 2.685 545 S HA 0.306 nan 4.470 nan 0.000 0.282 545 S C 0.207 174.926 174.600 0.199 0.000 1.159 545 S CA -1.580 56.712 58.200 0.155 0.000 0.833 545 S CB 2.844 66.097 63.200 0.088 0.000 1.151 545 S HN -0.400 8.020 8.310 0.184 0.000 0.485 546 H N 4.131 123.283 119.070 0.137 0.000 2.421 546 H HA -0.224 nan 4.556 nan 0.000 0.298 546 H C -0.558 174.811 175.328 0.070 0.000 1.087 546 H CA 3.198 59.317 56.048 0.118 0.000 1.330 546 H CB 0.336 30.148 29.762 0.084 0.000 1.388 546 H HN 0.703 9.156 8.280 0.288 0.000 0.526 547 K N -5.597 114.887 120.400 0.140 0.000 2.211 547 K HA -0.182 nan 4.320 nan 0.000 0.203 547 K C 0.161 176.772 176.600 0.019 0.000 1.050 547 K CA 0.303 56.630 56.287 0.066 0.000 0.945 547 K CB -0.140 32.378 32.500 0.030 0.000 0.732 547 K HN -0.222 8.120 8.250 0.172 0.012 0.451 548 G N 0.833 109.654 108.800 0.035 0.000 2.894 548 G HA2 -0.325 nan 3.960 nan 0.000 0.263 548 G HA3 -0.325 nan 3.960 nan 0.000 0.263 548 G C -1.390 173.549 174.900 0.064 0.000 1.013 548 G CA -0.534 44.595 45.100 0.049 0.000 1.226 548 G HN -0.425 7.719 8.290 0.062 0.183 0.563 549 M N 2.113 121.780 119.600 0.113 0.000 2.243 549 M HA -0.044 nan 4.480 nan 0.000 0.341 549 M C -1.497 174.876 176.300 0.122 0.000 1.130 549 M CA 0.534 55.874 55.300 0.066 0.000 1.162 549 M CB 2.198 34.858 32.600 0.099 0.000 1.497 549 M HN 0.082 8.472 8.290 0.166 0.000 0.456 550 E N 3.241 123.458 120.200 0.028 0.000 2.227 550 E HA 0.546 nan 4.350 nan 0.000 0.282 550 E C -0.933 175.549 176.600 -0.197 0.000 1.015 550 E CA -0.180 56.268 56.400 0.081 0.000 0.823 550 E CB 1.323 31.139 29.700 0.192 0.000 1.081 550 E HN 0.225 8.596 8.360 0.018 0.000 0.396 551 F N 3.082 123.069 119.950 0.061 0.000 2.576 551 F HA 0.540 nan 4.527 nan 0.000 0.313 551 F C -1.593 174.232 175.800 0.043 0.000 1.078 551 F CA -1.376 56.643 58.000 0.033 0.000 0.921 551 F CB 4.353 43.366 39.000 0.022 0.000 1.232 551 F HN 0.592 9.072 8.300 0.300 0.000 0.459 552 E N 1.531 121.861 120.200 0.216 0.000 2.313 552 E HA 0.432 nan 4.350 nan 0.000 0.276 552 E C -1.838 174.934 176.600 0.286 0.000 1.031 552 E CA -0.831 55.697 56.400 0.214 0.000 0.857 552 E CB 2.402 32.227 29.700 0.208 0.000 1.040 552 E HN 0.818 9.178 8.360 0.156 0.093 0.408 553 L N 6.901 128.277 121.223 0.254 0.000 2.305 553 L HA 0.638 nan 4.340 nan 0.000 0.284 553 L C -2.268 174.776 176.870 0.290 0.000 1.013 553 L CA -0.795 54.191 54.840 0.243 0.000 0.819 553 L CB 2.350 44.504 42.059 0.159 0.000 1.227 553 L HN 0.403 8.659 8.230 0.212 0.101 0.417 554 F N 9.503 129.569 119.950 0.194 0.000 2.467 554 F HA 0.673 nan 4.527 nan 0.000 0.336 554 F C -2.410 173.475 175.800 0.141 0.000 1.123 554 F CA -1.922 56.192 58.000 0.191 0.000 0.964 554 F CB 3.541 42.704 39.000 0.272 0.000 1.136 554 F HN 0.764 9.326 8.300 0.437 0.000 0.447 555 V N 8.466 128.014 119.914 -0.610 0.000 2.588 555 V HA 0.721 nan 4.120 nan 0.000 0.304 555 V C -2.530 173.140 176.094 -0.705 0.000 1.042 555 V CA -1.441 60.594 62.300 -0.442 0.000 0.877 555 V CB 2.939 34.597 31.823 -0.275 0.000 0.996 555 V HN 0.989 8.692 8.190 -0.813 0.000 0.425 556 M N 5.553 124.934 119.600 -0.365 0.000 2.457 556 M HA 0.856 nan 4.480 nan 0.000 0.300 556 M C -2.646 173.579 176.300 -0.125 0.000 1.141 556 M CA -1.291 53.868 55.300 -0.235 0.000 0.901 556 M CB 4.397 37.017 32.600 0.032 0.000 1.687 556 M HN 0.671 8.854 8.290 -0.179 0.000 0.449 557 L N 5.225 126.385 121.223 -0.106 0.000 2.346 557 L HA 0.691 nan 4.340 nan 0.000 0.276 557 L C -1.709 175.098 176.870 -0.105 0.000 1.006 557 L CA -0.748 54.010 54.840 -0.137 0.000 0.817 557 L CB 1.956 43.919 42.059 -0.161 0.000 1.272 557 L HN 0.435 8.610 8.230 -0.092 0.000 0.421 558 T N 2.230 116.683 114.554 -0.168 0.000 2.916 558 T HA 0.343 nan 4.350 nan 0.000 0.292 558 T C -1.924 172.541 174.700 -0.391 0.000 1.064 558 T CA -1.673 60.335 62.100 -0.154 0.000 1.011 558 T CB 3.250 72.104 68.868 -0.023 0.000 1.152 558 T HN -0.005 8.114 8.240 -0.201 0.000 0.510 559 D N 1.173 121.365 120.400 -0.346 0.000 2.358 559 D HA 0.044 nan 4.640 nan 0.000 0.258 559 D C 0.399 176.662 176.300 -0.062 0.000 1.223 559 D CA -0.536 53.267 54.000 -0.328 0.000 0.886 559 D CB 0.555 41.481 40.800 0.211 0.000 1.120 559 D HN 0.379 8.701 8.370 -0.080 0.000 0.482 560 H N 8.654 127.696 119.070 -0.047 0.000 2.389 560 H HA -0.331 nan 4.556 nan 0.000 0.299 560 H C 1.727 177.079 175.328 0.040 0.000 1.081 560 H CA 4.082 60.178 56.048 0.080 0.000 1.345 560 H CB 0.633 30.613 29.762 0.362 0.000 1.393 560 H HN 0.244 8.569 8.280 0.074 0.000 0.520 561 D N -0.524 119.947 120.400 0.119 0.000 2.123 561 D HA -0.263 nan 4.640 nan 0.000 0.196 561 D C 1.793 178.056 176.300 -0.061 0.000 0.992 561 D CA 3.118 57.136 54.000 0.031 0.000 0.833 561 D CB -0.500 40.364 40.800 0.106 0.000 0.954 561 D HN -0.110 8.680 8.370 0.218 -0.289 0.455 562 E N -0.893 119.287 120.200 -0.034 0.000 2.047 562 E HA -0.220 nan 4.350 nan 0.000 0.191 562 E C 1.267 177.786 176.600 -0.135 0.000 0.987 562 E CA 2.189 58.554 56.400 -0.059 0.000 0.799 562 E CB 0.231 29.914 29.700 -0.028 0.000 0.752 562 E HN -0.479 7.891 8.360 0.022 0.003 0.449 563 D N -2.052 118.230 120.400 -0.196 0.000 2.144 563 D HA -0.137 nan 4.640 nan 0.000 0.199 563 D C 0.253 176.379 176.300 -0.290 0.000 0.984 563 D CA 1.861 55.721 54.000 -0.233 0.000 0.834 563 D CB 0.442 41.107 40.800 -0.225 0.000 0.955 563 D HN -0.470 7.734 8.370 -0.169 0.065 0.465 564 T N -0.884 113.391 114.554 -0.465 0.000 2.882 564 T HA 0.031 nan 4.350 nan 0.000 0.287 564 T C -0.452 174.127 174.700 -0.201 0.000 1.014 564 T CA -0.471 61.403 62.100 -0.376 0.000 1.049 564 T CB 0.934 69.511 68.868 -0.485 0.000 1.001 564 T HN -0.306 7.585 8.240 -0.583 0.000 0.525 565 V N 1.379 121.211 119.914 -0.136 0.000 2.834 565 V HA 0.513 nan 4.120 nan 0.000 0.313 565 V C -1.129 174.920 176.094 -0.076 0.000 1.060 565 V CA -3.019 59.230 62.300 -0.084 0.000 0.989 565 V CB 1.882 33.674 31.823 -0.053 0.000 1.041 565 V HN 0.347 8.454 8.190 -0.137 0.000 0.459 566 A N 2.271 125.059 122.820 -0.055 0.000 2.325 566 A HA 0.578 nan 4.320 nan 0.000 0.333 566 A C -0.619 176.945 177.584 -0.033 0.000 1.155 566 A CA -0.412 51.596 52.037 -0.048 0.000 0.814 566 A CB 1.620 20.595 19.000 -0.041 0.000 1.206 566 A HN 0.372 8.495 8.150 -0.045 0.000 0.482 567 G N -1.066 107.715 108.800 -0.031 0.000 2.322 567 G HA2 0.085 nan 3.960 nan 0.000 0.295 567 G HA3 0.085 nan 3.960 nan 0.000 0.295 567 G C -1.958 172.928 174.900 -0.023 0.000 1.369 567 G CA -0.189 44.899 45.100 -0.021 0.000 0.821 567 G HN -0.114 8.153 8.290 -0.038 0.000 0.536 568 L N 0.839 122.053 121.223 -0.016 0.000 2.415 568 L HA 0.403 nan 4.340 nan 0.000 0.268 568 L C -0.487 176.376 176.870 -0.013 0.000 0.984 568 L CA 0.222 55.052 54.840 -0.017 0.000 0.853 568 L CB 0.989 43.041 42.059 -0.013 0.000 1.215 568 L HN 0.264 8.488 8.230 -0.010 0.000 0.419 569 S N 3.698 119.387 115.700 -0.018 0.000 4.225 569 S HA 0.202 nan 4.470 nan 0.000 0.215 569 S C -1.010 173.579 174.600 -0.018 0.000 1.051 569 S CA -0.913 57.278 58.200 -0.015 0.000 1.729 569 S CB 1.038 64.228 63.200 -0.018 0.000 0.892 569 S HN 0.365 8.661 8.310 -0.024 0.000 0.720 570 E N 0.427 120.614 120.200 -0.022 0.000 2.405 570 E HA 0.185 nan 4.350 nan 0.000 0.249 570 E C -0.516 176.067 176.600 -0.027 0.000 1.028 570 E CA -0.627 55.759 56.400 -0.022 0.000 0.897 570 E CB 1.300 30.987 29.700 -0.023 0.000 1.262 570 E HN 0.084 8.430 8.360 -0.024 0.000 0.442 571 N N -1.167 117.517 118.700 -0.027 0.000 2.235 571 N HA -0.118 nan 4.740 nan 0.000 0.231 571 N C -0.751 174.740 175.510 -0.033 0.000 1.330 571 N CA 0.167 53.199 53.050 -0.030 0.000 0.898 571 N CB 0.433 38.903 38.487 -0.029 0.000 1.151 571 N HN 0.214 8.579 8.380 -0.025 0.000 0.472 572 A N -0.527 122.273 122.820 -0.033 0.000 2.476 572 A HA 0.004 nan 4.320 nan 0.000 0.275 572 A C -1.223 176.339 177.584 -0.037 0.000 1.133 572 A CA 0.627 52.643 52.037 -0.035 0.000 0.797 572 A CB -0.175 18.805 19.000 -0.033 0.000 1.081 572 A HN 0.093 8.223 8.150 -0.032 0.000 0.510 573 V N 1.945 121.835 119.914 -0.039 0.000 3.528 573 V HA 0.321 nan 4.120 nan 0.000 0.301 573 V C -0.754 175.312 176.094 -0.047 0.000 1.332 573 V CA -2.271 60.002 62.300 -0.044 0.000 1.004 573 V CB 3.331 35.128 31.823 -0.044 0.000 1.222 573 V HN -0.347 7.820 8.190 -0.039 0.000 0.478 574 C N 2.285 121.551 119.300 -0.056 0.000 2.551 574 C HA 0.166 nan 4.460 nan 0.000 0.378 574 C C 0.507 175.473 174.990 -0.041 0.000 1.101 574 C CA 0.293 59.277 59.018 -0.058 0.000 1.360 574 C CB -3.095 24.595 27.740 -0.085 0.000 1.895 574 C HN 0.510 8.702 8.230 -0.062 0.000 0.540 575 S N 6.552 122.232 115.700 -0.033 0.000 2.679 575 S HA 0.088 nan 4.470 nan 0.000 0.258 575 S C 1.133 175.723 174.600 -0.017 0.000 1.068 575 S CA 1.125 59.309 58.200 -0.026 0.000 1.115 575 S CB 1.427 64.606 63.200 -0.035 0.000 1.078 575 S HN 0.436 8.696 8.310 -0.035 0.029 0.603 576 D N 3.790 124.180 120.400 -0.017 0.000 2.370 576 D HA -0.349 nan 4.640 nan 0.000 0.190 576 D C -0.472 175.826 176.300 -0.003 0.000 1.019 576 D CA 2.961 56.953 54.000 -0.014 0.000 0.869 576 D CB -0.050 40.739 40.800 -0.018 0.000 0.944 576 D HN 0.364 8.719 8.370 -0.024 0.000 0.456 577 A N -3.317 119.512 122.820 0.015 0.000 2.462 577 A HA 0.222 nan 4.320 nan 0.000 0.261 577 A C 1.178 178.804 177.584 0.070 0.000 1.323 577 A CA -0.517 51.547 52.037 0.044 0.000 0.913 577 A CB -0.322 18.735 19.000 0.096 0.000 1.028 577 A HN -0.192 7.947 8.150 0.012 0.018 0.511 578 V N -2.913 117.020 119.914 0.031 0.000 2.370 578 V HA -0.541 nan 4.120 nan 0.000 0.252 578 V C 1.917 178.079 176.094 0.112 0.000 1.068 578 V CA 3.415 65.733 62.300 0.030 0.000 1.061 578 V CB -1.352 30.422 31.823 -0.082 0.000 0.656 578 V HN -0.204 7.906 8.190 0.006 0.084 0.455 579 S N 2.134 117.867 115.700 0.054 0.000 2.374 579 S HA -0.342 nan 4.470 nan 0.000 0.227 579 S C 2.101 176.934 174.600 0.388 0.000 1.037 579 S CA 3.913 62.177 58.200 0.106 0.000 1.024 579 S CB -0.053 63.039 63.200 -0.179 0.000 0.861 579 S HN -0.453 7.817 8.310 -0.023 0.027 0.456 580 Y N -1.342 119.158 120.300 0.334 0.000 2.558 580 Y HA 0.160 nan 4.550 nan 0.000 0.273 580 Y C 1.547 177.741 175.900 0.491 0.000 1.100 580 Y CA 0.190 58.532 58.100 0.402 0.000 1.276 580 Y CB -0.007 38.645 38.460 0.320 0.000 1.196 580 Y HN -0.719 7.672 8.280 0.219 0.020 0.527 581 C N -3.767 115.876 119.300 0.572 0.000 2.504 581 C HA 0.094 nan 4.460 nan 0.000 0.279 581 C C 0.319 175.541 174.990 0.386 0.000 1.358 581 C CA 1.879 61.176 59.018 0.465 0.000 1.747 581 C CB -0.071 27.866 27.740 0.328 0.000 2.037 581 C HN -0.327 8.178 8.230 0.459 0.000 0.503 582 G N -1.137 107.881 108.800 0.363 0.000 2.660 582 G HA2 -0.316 nan 3.960 nan 0.000 0.215 582 G HA3 -0.316 nan 3.960 nan 0.000 0.215 582 G C -2.395 172.575 174.900 0.117 0.000 1.345 582 G CA -0.584 44.703 45.100 0.311 0.000 0.877 582 G HN -0.332 8.034 8.290 0.343 0.130 0.549 583 A N -0.241 122.614 122.820 0.058 0.000 2.380 583 A HA 0.305 nan 4.320 nan 0.000 0.315 583 A C -0.930 176.642 177.584 -0.019 0.000 1.101 583 A CA -1.569 50.465 52.037 -0.006 0.000 0.771 583 A CB 2.592 21.568 19.000 -0.039 0.000 1.287 583 A HN 0.219 8.428 8.150 0.098 0.000 0.436 584 R N 2.119 122.590 120.500 -0.048 0.000 2.484 584 R HA -0.288 nan 4.340 nan 0.000 0.293 584 R C -0.183 176.089 176.300 -0.047 0.000 1.023 584 R CA 0.961 57.018 56.100 -0.072 0.000 1.037 584 R CB -0.235 30.020 30.300 -0.074 0.000 0.951 584 R HN 0.316 8.558 8.270 -0.048 0.000 0.418 585 D N 3.903 124.275 120.400 -0.047 0.000 2.701 585 D HA -0.291 nan 4.640 nan 0.000 0.235 585 D C -1.637 174.661 176.300 -0.003 0.000 1.155 585 D CA 1.557 55.550 54.000 -0.011 0.000 0.649 585 D CB -0.450 40.355 40.800 0.008 0.000 1.050 585 D HN 0.244 8.567 8.370 -0.079 0.000 0.425 586 D N -1.926 118.473 120.400 -0.002 0.000 2.570 586 D HA 0.254 nan 4.640 nan 0.000 0.244 586 D C -1.908 174.409 176.300 0.029 0.000 1.178 586 D CA -1.005 52.998 54.000 0.004 0.000 0.881 586 D CB 2.454 43.245 40.800 -0.015 0.000 1.453 586 D HN -0.741 7.617 8.370 -0.006 0.008 0.447 587 R N 2.613 123.130 120.500 0.030 0.000 2.582 587 R HA -0.011 nan 4.340 nan 0.000 0.271 587 R C -0.421 175.925 176.300 0.078 0.000 1.078 587 R CA -0.162 55.975 56.100 0.063 0.000 1.127 587 R CB 1.089 31.416 30.300 0.044 0.000 1.038 587 R HN 0.286 8.565 8.270 0.014 0.000 0.500 588 Y N 4.030 124.338 120.300 0.013 0.000 2.632 588 Y HA -0.070 nan 4.550 nan 0.000 0.329 588 Y C -1.775 174.119 175.900 -0.010 0.000 1.174 588 Y CA -1.487 56.620 58.100 0.012 0.000 1.469 588 Y CB 0.973 39.438 38.460 0.008 0.000 1.242 588 Y HN 0.260 8.689 8.280 0.247 0.000 0.540 589 P HA -0.077 nan 4.420 nan 0.000 0.239 589 P C -2.000 175.172 177.300 -0.213 0.000 1.184 589 P CA 0.764 63.693 63.100 -0.284 0.000 0.760 589 P CB 0.263 31.793 31.700 -0.283 0.000 0.884 590 D N -3.557 116.765 120.400 -0.130 0.000 2.505 590 D HA 0.094 nan 4.640 nan 0.000 0.249 590 D C -0.901 175.456 176.300 0.095 0.000 1.082 590 D CA -1.643 52.364 54.000 0.011 0.000 0.839 590 D CB 2.315 43.177 40.800 0.103 0.000 1.317 590 D HN -0.943 7.332 8.370 -0.044 0.068 0.497 591 K N 3.995 124.379 120.400 -0.027 0.000 2.097 591 K HA -0.219 nan 4.320 nan 0.000 0.205 591 K C 0.996 177.552 176.600 -0.073 0.000 1.050 591 K CA 1.179 57.437 56.287 -0.050 0.000 0.938 591 K CB 0.504 32.946 32.500 -0.098 0.000 0.718 591 K HN 0.276 8.375 8.250 -0.082 0.101 0.442 592 K N -0.908 119.417 120.400 -0.124 0.000 2.380 592 K HA -0.183 nan 4.320 nan 0.000 0.267 592 K C -0.354 176.198 176.600 -0.079 0.000 0.990 592 K CA -0.027 56.128 56.287 -0.220 0.000 0.946 592 K CB 0.322 32.585 32.500 -0.394 0.000 0.937 592 K HN -0.607 7.860 8.250 -0.119 -0.288 0.491 593 A N 1.108 123.896 122.820 -0.052 0.000 2.483 593 A HA 0.108 nan 4.320 nan 0.000 0.238 593 A C 0.363 177.976 177.584 0.048 0.000 1.070 593 A CA 0.298 52.345 52.037 0.016 0.000 0.770 593 A CB 0.457 19.512 19.000 0.092 0.000 1.008 593 A HN 0.211 8.296 8.150 -0.108 0.000 0.497 594 M N 2.615 122.182 119.600 -0.055 0.000 2.246 594 M HA -0.311 nan 4.480 nan 0.000 0.350 594 M C 0.809 177.148 176.300 0.065 0.000 1.406 594 M CA 2.175 57.348 55.300 -0.213 0.000 1.089 594 M CB -0.036 32.172 32.600 -0.654 0.000 1.782 594 M HN -0.215 8.266 8.290 -0.063 -0.230 0.457 595 G N 0.995 109.912 108.800 0.194 0.000 2.176 595 G HA2 -0.319 nan 3.960 nan 0.000 0.232 595 G HA3 -0.319 nan 3.960 nan 0.000 0.232 595 G C -0.719 174.293 174.900 0.186 0.000 0.986 595 G CA -0.427 44.910 45.100 0.395 0.000 0.643 595 G HN 0.293 8.674 8.290 0.150 0.000 0.522 596 F N 3.323 123.283 119.950 0.017 0.000 2.602 596 F HA -0.033 nan 4.527 nan 0.000 0.367 596 F C -2.195 173.424 175.800 -0.301 0.000 1.126 596 F CA -0.959 56.952 58.000 -0.149 0.000 1.321 596 F CB 1.124 40.040 39.000 -0.140 0.000 1.094 596 F HN -0.514 7.911 8.300 0.320 0.067 0.594 597 P HA -0.049 nan 4.420 nan 0.000 0.245 597 P C 0.022 176.640 177.300 -1.137 0.000 1.212 597 P CA 0.985 62.933 63.100 -1.919 0.000 0.774 597 P CB -0.072 30.578 31.700 -1.749 0.000 0.999 598 F N -0.804 118.770 119.950 -0.626 0.000 2.407 598 F HA -0.339 nan 4.527 nan 0.000 0.299 598 F C 0.522 176.232 175.800 -0.150 0.000 1.097 598 F CA 2.878 60.594 58.000 -0.474 0.000 1.422 598 F CB -0.927 37.745 39.000 -0.548 0.000 1.067 598 F HN -0.043 7.638 8.300 -0.894 0.083 0.539 599 D N -2.835 117.637 120.400 0.120 0.000 2.178 599 D HA -0.318 nan 4.640 nan 0.000 0.201 599 D C 0.369 176.759 176.300 0.150 0.000 0.980 599 D CA 2.177 56.295 54.000 0.196 0.000 0.842 599 D CB -0.453 40.486 40.800 0.233 0.000 0.948 599 D HN 0.023 8.385 8.370 0.067 0.049 0.472 600 R N -1.582 119.011 120.500 0.154 0.000 2.691 600 R HA 0.156 nan 4.340 nan 0.000 0.259 600 R C -0.358 175.958 176.300 0.026 0.000 1.048 600 R CA -1.208 54.917 56.100 0.042 0.000 1.086 600 R CB 1.496 31.696 30.300 -0.167 0.000 1.166 600 R HN -0.896 7.530 8.270 0.261 0.000 0.526 601 K N 0.913 121.317 120.400 0.008 0.000 2.436 601 K HA -0.112 nan 4.320 nan 0.000 0.275 601 K C -0.659 175.954 176.600 0.021 0.000 0.999 601 K CA 0.524 56.818 56.287 0.012 0.000 0.980 601 K CB 0.382 32.886 32.500 0.006 0.000 0.919 601 K HN 0.261 8.507 8.250 -0.006 0.000 0.484 602 I N 5.012 125.588 120.570 0.010 0.000 2.362 602 I HA -0.048 nan 4.170 nan 0.000 0.289 602 I C -0.783 175.373 176.117 0.065 0.000 0.994 602 I CA -0.688 60.630 61.300 0.030 0.000 1.158 602 I CB 1.018 38.963 38.000 -0.091 0.000 1.315 602 I HN 0.137 8.349 8.210 0.003 0.000 0.451 603 E N 7.057 127.323 120.200 0.110 0.000 2.106 603 E HA -0.183 nan 4.350 nan 0.000 0.192 603 E C -0.228 176.421 176.600 0.083 0.000 0.984 603 E CA 1.853 58.305 56.400 0.087 0.000 0.806 603 E CB 0.438 30.194 29.700 0.093 0.000 0.750 603 E HN 0.379 8.836 8.360 0.163 0.000 0.458 604 A N -3.008 119.884 122.820 0.121 0.000 2.407 604 A HA 0.044 nan 4.320 nan 0.000 0.248 604 A C 0.639 178.266 177.584 0.073 0.000 1.082 604 A CA 0.302 52.402 52.037 0.106 0.000 0.785 604 A CB 0.552 19.644 19.000 0.153 0.000 1.020 604 A HN -0.413 7.815 8.150 0.174 0.026 0.489 605 R N -0.204 120.329 120.500 0.055 0.000 2.090 605 R HA -0.142 nan 4.340 nan 0.000 0.228 605 R C -0.008 176.314 176.300 0.036 0.000 1.110 605 R CA 1.305 57.426 56.100 0.035 0.000 0.973 605 R CB 0.313 30.628 30.300 0.026 0.000 0.869 605 R HN 0.471 8.775 8.270 0.056 0.000 0.440 606 T N -3.997 110.590 114.554 0.054 0.000 2.908 606 T HA 0.290 nan 4.350 nan 0.000 0.290 606 T C -0.618 174.140 174.700 0.097 0.000 1.034 606 T CA -2.119 60.014 62.100 0.056 0.000 1.010 606 T CB 2.795 71.691 68.868 0.046 0.000 1.068 606 T HN -0.934 7.345 8.240 0.066 0.000 0.481 607 A N 4.969 127.850 122.820 0.102 0.000 1.933 607 A HA -0.169 nan 4.320 nan 0.000 0.218 607 A C 1.603 179.310 177.584 0.206 0.000 1.175 607 A CA 3.102 55.231 52.037 0.154 0.000 0.628 607 A CB -0.186 18.913 19.000 0.166 0.000 0.814 607 A HN 0.430 8.623 8.150 0.072 0.000 0.444 608 A N -2.279 120.633 122.820 0.153 0.000 1.940 608 A HA -0.271 nan 4.320 nan 0.000 0.219 608 A C 2.378 180.046 177.584 0.140 0.000 1.176 608 A CA 2.741 54.865 52.037 0.146 0.000 0.631 608 A CB -0.641 18.416 19.000 0.095 0.000 0.814 608 A HN -0.341 7.858 8.150 0.116 0.021 0.446 609 E N -1.890 118.387 120.200 0.127 0.000 2.153 609 E HA -0.320 nan 4.350 nan 0.000 0.194 609 E C 1.050 177.717 176.600 0.112 0.000 0.988 609 E CA 1.951 58.411 56.400 0.100 0.000 0.811 609 E CB -0.190 29.563 29.700 0.089 0.000 0.746 609 E HN -0.561 7.760 8.360 0.124 0.114 0.466 610 F N -2.741 117.232 119.950 0.038 0.000 2.186 610 F HA -0.226 nan 4.527 nan 0.000 0.299 610 F C -0.288 175.533 175.800 0.035 0.000 1.090 610 F CA 1.416 59.429 58.000 0.022 0.000 1.307 610 F CB 0.624 39.620 39.000 -0.007 0.000 1.019 610 F HN -0.681 7.645 8.300 0.312 0.162 0.489 611 L N -1.014 120.291 121.223 0.138 0.000 2.525 611 L HA -0.128 nan 4.340 nan 0.000 0.278 611 L C 0.389 177.224 176.870 -0.059 0.000 1.218 611 L CA 0.853 55.755 54.840 0.103 0.000 0.878 611 L CB -0.152 42.001 42.059 0.156 0.000 1.127 611 L HN -0.709 7.498 8.230 0.215 0.153 0.492 612 T N -0.356 114.156 114.554 -0.070 0.000 2.910 612 T HA 0.476 nan 4.350 nan 0.000 0.279 612 T C -0.608 174.079 174.700 -0.022 0.000 0.989 612 T CA -3.106 58.950 62.100 -0.074 0.000 0.968 612 T CB 0.478 69.295 68.868 -0.084 0.000 1.135 612 T HN -0.520 7.712 8.240 -0.012 0.000 0.562 613 P HA -0.030 nan 4.420 nan 0.000 0.223 613 P C -0.753 176.548 177.300 0.001 0.000 1.151 613 P CA 1.931 65.028 63.100 -0.006 0.000 0.787 613 P CB 0.137 31.834 31.700 -0.006 0.000 0.788 614 N N -4.031 114.678 118.700 0.016 0.000 2.327 614 N HA 0.016 nan 4.740 nan 0.000 0.231 614 N C -1.593 173.889 175.510 -0.046 0.000 1.130 614 N CA -0.824 52.237 53.050 0.018 0.000 0.845 614 N CB -0.281 38.264 38.487 0.096 0.000 1.073 614 N HN -0.459 7.890 8.380 0.018 0.041 0.496 615 M N -1.147 118.409 119.600 -0.073 0.000 2.619 615 M HA 0.587 nan 4.480 nan 0.000 0.297 615 M C -1.415 174.766 176.300 -0.199 0.000 1.229 615 M CA -0.417 54.764 55.300 -0.198 0.000 0.860 615 M CB 5.271 37.879 32.600 0.013 0.000 1.741 615 M HN -0.695 7.478 8.290 -0.040 0.093 0.462 616 G N -1.023 107.549 108.800 -0.379 0.000 2.742 616 G HA2 0.243 nan 3.960 nan 0.000 0.296 616 G HA3 0.243 nan 3.960 nan 0.000 0.296 616 G C -3.574 171.245 174.900 -0.134 0.000 1.436 616 G CA 0.128 45.128 45.100 -0.167 0.000 0.928 616 G HN 0.465 8.273 8.290 -0.803 0.000 0.520 617 L N 0.171 121.424 121.223 0.050 0.000 2.381 617 L HA 0.755 nan 4.340 nan 0.000 0.274 617 L C -0.878 176.054 176.870 0.103 0.000 0.988 617 L CA -0.615 54.314 54.840 0.149 0.000 0.824 617 L CB 3.022 45.229 42.059 0.246 0.000 1.263 617 L HN 0.053 8.317 8.230 0.056 0.000 0.410 618 T N 5.754 120.373 114.554 0.108 0.000 2.824 618 T HA 0.368 nan 4.350 nan 0.000 0.282 618 T C -1.980 172.783 174.700 0.106 0.000 0.993 618 T CA -1.187 60.966 62.100 0.088 0.000 0.967 618 T CB 2.129 71.043 68.868 0.077 0.000 0.960 618 T HN 0.742 8.949 8.240 0.134 0.113 0.441 619 D N 4.557 125.010 120.400 0.088 0.000 2.249 619 D HA 0.651 nan 4.640 nan 0.000 0.246 619 D C -1.025 175.328 176.300 0.089 0.000 1.114 619 D CA -0.929 53.127 54.000 0.093 0.000 0.854 619 D CB 0.493 41.334 40.800 0.068 0.000 1.132 619 D HN 0.057 8.470 8.370 0.072 0.000 0.461 620 I N -4.497 116.139 120.570 0.111 0.000 3.108 620 I HA 0.748 nan 4.170 nan 0.000 0.312 620 I C -1.878 174.315 176.117 0.126 0.000 1.095 620 I CA -2.569 58.782 61.300 0.085 0.000 1.000 620 I CB 3.830 41.856 38.000 0.043 0.000 1.229 620 I HN 0.395 8.694 8.210 0.147 0.000 0.454 621 K N -0.634 119.821 120.400 0.091 0.000 2.259 621 K HA 0.764 nan 4.320 nan 0.000 0.249 621 K C -1.578 175.081 176.600 0.098 0.000 0.942 621 K CA -2.226 54.137 56.287 0.127 0.000 0.816 621 K CB 3.057 35.603 32.500 0.076 0.000 1.155 621 K HN 0.264 8.540 8.250 0.043 0.000 0.428 622 I N 2.701 123.372 120.570 0.168 0.000 2.389 622 I HA 0.528 nan 4.170 nan 0.000 0.288 622 I C -2.040 174.145 176.117 0.113 0.000 0.999 622 I CA -0.985 60.367 61.300 0.087 0.000 1.129 622 I CB 1.943 39.964 38.000 0.036 0.000 1.288 622 I HN 0.701 9.079 8.210 0.281 0.000 0.444 623 K N 5.124 125.562 120.400 0.064 0.000 2.345 623 K HA 0.611 nan 4.320 nan 0.000 0.255 623 K C -1.775 174.875 176.600 0.084 0.000 0.934 623 K CA -2.341 53.976 56.287 0.050 0.000 0.801 623 K CB 2.770 35.241 32.500 -0.048 0.000 1.137 623 K HN 0.569 8.840 8.250 0.035 0.000 0.424 624 F N 4.904 124.855 119.950 0.001 0.000 2.375 624 F HA 0.344 nan 4.527 nan 0.000 0.333 624 F C -1.650 174.198 175.800 0.079 0.000 1.104 624 F CA -0.970 57.055 58.000 0.040 0.000 1.149 624 F CB 2.668 41.689 39.000 0.035 0.000 1.190 624 F HN 0.546 8.828 8.300 0.255 0.171 0.533 625 H N 7.107 125.535 119.070 -1.071 0.000 2.481 625 H HA 0.309 nan 4.556 nan 0.000 0.333 625 H C -1.222 173.673 175.328 -0.721 0.000 1.066 625 H CA -1.702 53.984 56.048 -0.603 0.000 1.209 625 H CB 3.246 32.745 29.762 -0.439 0.000 1.445 625 H HN 0.330 7.501 8.280 -1.849 0.000 0.488 626 G N 0.000 108.526 108.800 -0.456 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 45.010 45.100 -0.150 0.000 0.502 626 G HN 0.000 8.010 8.290 -0.466 0.000 0.925