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_E 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 0.000 174.647 174.700 -0.088 0.000 1.109 1 T CA 0.000 62.066 62.100 -0.056 0.000 1.349 1 T CB 0.000 68.842 68.868 -0.044 0.000 0.612 2 V N 2.640 122.493 119.914 -0.101 0.000 2.343 2 V HA -0.166 nan 4.120 nan 0.000 0.247 2 V C 1.165 177.184 176.094 -0.126 0.000 1.051 2 V CA 3.278 65.495 62.300 -0.138 0.000 1.036 2 V CB -0.315 31.431 31.823 -0.129 0.000 0.654 2 V HN 0.563 8.703 8.190 -0.083 0.000 0.451 3 A N -1.123 121.644 122.820 -0.089 0.000 1.902 3 A HA -0.344 nan 4.320 nan 0.000 0.217 3 A C 1.044 178.593 177.584 -0.058 0.000 1.181 3 A CA 3.364 55.357 52.037 -0.073 0.000 0.623 3 A CB -0.930 18.041 19.000 -0.048 0.000 0.818 3 A HN -0.076 8.028 8.150 -0.077 0.000 0.443 4 D N -2.335 118.037 120.400 -0.047 0.000 2.117 4 D HA -0.232 nan 4.640 nan 0.000 0.197 4 D C 2.224 178.512 176.300 -0.021 0.000 0.987 4 D CA 3.196 57.185 54.000 -0.019 0.000 0.829 4 D CB -0.262 40.533 40.800 -0.007 0.000 0.961 4 D HN 0.022 8.234 8.370 -0.055 0.125 0.460 5 K N -0.250 120.100 120.400 -0.083 0.000 2.057 5 K HA -0.383 nan 4.320 nan 0.000 0.207 5 K C 2.453 179.007 176.600 -0.077 0.000 1.049 5 K CA 3.036 59.239 56.287 -0.140 0.000 0.931 5 K CB -0.067 32.203 32.500 -0.383 0.000 0.714 5 K HN -0.544 7.544 8.250 -0.108 0.098 0.440 6 Q N -1.845 117.893 119.800 -0.103 0.000 2.084 6 Q HA -0.308 nan 4.340 nan 0.000 0.202 6 Q C 2.448 178.422 176.000 -0.044 0.000 0.978 6 Q CA 2.941 58.684 55.803 -0.099 0.000 0.844 6 Q CB -0.256 28.400 28.738 -0.138 0.000 0.898 6 Q HN -0.015 8.079 8.270 -0.118 0.106 0.426 7 A N -1.122 121.690 122.820 -0.014 0.000 1.902 7 A HA -0.274 nan 4.320 nan 0.000 0.217 7 A C 1.269 178.901 177.584 0.079 0.000 1.181 7 A CA 2.712 54.765 52.037 0.027 0.000 0.623 7 A CB -0.709 18.315 19.000 0.041 0.000 0.818 7 A HN -0.249 7.797 8.150 -0.025 0.089 0.443 8 R N -3.156 117.412 120.500 0.114 0.000 2.096 8 R HA -0.257 nan 4.340 nan 0.000 0.235 8 R C 2.599 179.026 176.300 0.212 0.000 1.127 8 R CA 2.629 58.835 56.100 0.176 0.000 0.968 8 R CB 0.077 30.529 30.300 0.254 0.000 0.861 8 R HN -0.479 7.759 8.270 0.091 0.087 0.440 9 L N -1.042 120.321 121.223 0.234 0.000 2.083 9 L HA -0.298 nan 4.340 nan 0.000 0.209 9 L C 2.667 179.722 176.870 0.307 0.000 1.083 9 L CA 2.974 57.997 54.840 0.305 0.000 0.752 9 L CB -0.404 41.834 42.059 0.299 0.000 0.899 9 L HN -0.219 8.048 8.230 0.190 0.077 0.433 10 M N -1.119 118.552 119.600 0.118 0.000 2.086 10 M HA -0.257 nan 4.480 nan 0.000 0.261 10 M C -0.752 175.718 176.300 0.284 0.000 1.067 10 M CA 5.818 61.123 55.300 0.009 0.000 1.116 10 M CB -2.373 30.010 32.600 -0.361 0.000 1.348 10 M HN -0.301 7.933 8.290 0.054 0.088 0.407 11 P HA -0.161 nan 4.420 nan 0.000 0.225 11 P C 0.493 177.904 177.300 0.185 0.000 1.148 11 P CA 2.325 65.574 63.100 0.249 0.000 0.779 11 P CB -0.818 30.994 31.700 0.187 0.000 0.780 12 L N -3.155 118.158 121.223 0.151 0.000 2.083 12 L HA -0.352 nan 4.340 nan 0.000 0.209 12 L C 1.912 178.743 176.870 -0.065 0.000 1.083 12 L CA 2.665 57.507 54.840 0.004 0.000 0.752 12 L CB -0.281 41.737 42.059 -0.069 0.000 0.899 12 L HN -0.250 7.941 8.230 0.211 0.165 0.433 13 F N -4.821 115.272 119.950 0.238 0.000 2.558 13 F HA -0.219 nan 4.527 nan 0.000 0.298 13 F C 0.067 175.981 175.800 0.190 0.000 1.119 13 F CA 1.568 59.706 58.000 0.230 0.000 1.451 13 F CB -0.171 38.932 39.000 0.171 0.000 1.091 13 F HN -0.754 7.637 8.300 0.336 0.111 0.563 14 K N -2.106 118.497 120.400 0.339 0.000 2.144 14 K HA 0.038 nan 4.320 nan 0.000 0.270 14 K C -0.125 176.612 176.600 0.228 0.000 1.005 14 K CA -0.380 56.077 56.287 0.283 0.000 0.932 14 K CB 0.576 33.304 32.500 0.380 0.000 1.021 14 K HN -0.996 7.258 8.250 0.313 0.184 0.462 15 H N -0.472 118.640 119.070 0.071 0.000 2.692 15 H HA -0.344 nan 4.556 nan 0.000 0.316 15 H C 0.736 176.068 175.328 0.006 0.000 1.176 15 H CA 1.060 57.128 56.048 0.034 0.000 1.142 15 H CB -1.904 27.880 29.762 0.035 0.000 1.475 15 H HN 0.840 9.034 8.280 -0.144 0.000 0.423 16 L N -2.533 118.727 121.223 0.063 0.000 2.083 16 L HA -0.328 nan 4.340 nan 0.000 0.209 16 L C 1.652 178.562 176.870 0.067 0.000 1.083 16 L CA 2.912 57.781 54.840 0.048 0.000 0.752 16 L CB -1.106 41.036 42.059 0.138 0.000 0.899 16 L HN 0.240 8.475 8.230 0.009 0.000 0.433 17 T N -0.970 113.644 114.554 0.100 0.000 2.708 17 T HA -0.311 nan 4.350 nan 0.000 0.266 17 T C 2.156 176.899 174.700 0.073 0.000 1.037 17 T CA 3.969 66.135 62.100 0.109 0.000 1.146 17 T CB -0.712 68.224 68.868 0.114 0.000 0.865 17 T HN 0.190 8.467 8.240 0.081 0.011 0.435 18 A N 1.228 124.098 122.820 0.083 0.000 1.969 18 A HA -0.094 nan 4.320 nan 0.000 0.218 18 A C 1.231 178.825 177.584 0.016 0.000 1.169 18 A CA 1.962 54.035 52.037 0.060 0.000 0.635 18 A CB -0.857 18.200 19.000 0.096 0.000 0.810 18 A HN -0.165 8.038 8.150 0.114 0.015 0.445 19 L N -3.325 117.899 121.223 0.002 0.000 2.349 19 L HA -0.209 nan 4.340 nan 0.000 0.220 19 L C 0.626 177.452 176.870 -0.072 0.000 1.130 19 L CA 1.229 56.034 54.840 -0.059 0.000 0.791 19 L CB -0.161 41.816 42.059 -0.135 0.000 0.918 19 L HN -0.330 7.771 8.230 0.029 0.146 0.444 20 T N -0.686 113.843 114.554 -0.043 0.000 2.905 20 T HA -0.195 nan 4.350 nan 0.000 0.400 20 T C -0.927 173.752 174.700 -0.035 0.000 1.098 20 T CA 0.219 62.297 62.100 -0.037 0.000 1.095 20 T CB 0.170 69.034 68.868 -0.008 0.000 1.281 20 T HN -0.819 7.364 8.240 -0.020 0.045 0.515 21 R N 1.247 121.732 120.500 -0.025 0.000 2.080 21 R HA -0.282 nan 4.340 nan 0.000 0.362 21 R C -1.055 175.222 176.300 -0.038 0.000 1.156 21 R CA 1.085 57.170 56.100 -0.026 0.000 0.964 21 R CB -0.305 29.980 30.300 -0.026 0.000 2.865 21 R HN 0.185 8.446 8.270 -0.015 0.000 0.490 22 E N 4.981 125.160 120.200 -0.035 0.000 2.051 22 E HA -0.257 nan 4.350 nan 0.000 0.192 22 E C -0.695 175.878 176.600 -0.044 0.000 0.991 22 E CA 1.052 57.427 56.400 -0.043 0.000 0.799 22 E CB -0.227 29.454 29.700 -0.031 0.000 0.748 22 E HN 0.196 8.540 8.360 -0.026 0.000 0.449 23 K N -3.459 116.920 120.400 -0.034 0.000 3.088 23 K HA -0.272 nan 4.320 nan 0.000 0.273 23 K C -1.677 174.905 176.600 -0.030 0.000 1.111 23 K CA 0.311 56.579 56.287 -0.032 0.000 0.803 23 K CB -1.268 31.209 32.500 -0.038 0.000 1.226 23 K HN -0.274 7.959 8.250 -0.028 0.000 0.485 24 L N -1.305 119.902 121.223 -0.027 0.000 2.333 24 L HA 0.324 nan 4.340 nan 0.000 0.280 24 L C -1.514 175.348 176.870 -0.015 0.000 1.004 24 L CA -3.361 51.466 54.840 -0.023 0.000 0.820 24 L CB 1.019 43.062 42.059 -0.026 0.000 1.247 24 L HN -0.396 7.806 8.230 -0.026 0.012 0.416 25 P HA 0.026 nan 4.420 nan 0.000 0.217 25 P C -1.434 175.863 177.300 -0.005 0.000 1.151 25 P CA 1.316 64.412 63.100 -0.007 0.000 0.828 25 P CB 0.409 32.107 31.700 -0.004 0.000 0.788 26 L N -2.221 118.999 121.223 -0.004 0.000 2.592 26 L HA 0.140 nan 4.340 nan 0.000 0.258 26 L C -0.592 176.276 176.870 -0.003 0.000 0.926 26 L CA -0.812 54.026 54.840 -0.003 0.000 0.885 26 L CB 2.580 44.639 42.059 -0.000 0.000 1.380 26 L HN -0.790 7.438 8.230 -0.004 0.000 0.415 27 D N 0.893 121.291 120.400 -0.003 0.000 2.277 27 D HA -0.213 nan 4.640 nan 0.000 0.208 27 D C 0.946 177.246 176.300 0.001 0.000 0.962 27 D CA 2.245 56.243 54.000 -0.003 0.000 0.865 27 D CB 0.042 40.839 40.800 -0.005 0.000 0.939 27 D HN 0.291 8.658 8.370 -0.004 0.000 0.510 28 Q N -0.754 119.047 119.800 0.002 0.000 2.135 28 Q HA -0.276 nan 4.340 nan 0.000 0.204 28 Q C 0.927 176.930 176.000 0.005 0.000 0.981 28 Q CA 1.887 57.692 55.803 0.003 0.000 0.856 28 Q CB -1.146 27.593 28.738 0.002 0.000 0.902 28 Q HN 0.116 8.359 8.270 0.001 0.027 0.425 29 R N -2.199 118.305 120.500 0.006 0.000 2.091 29 R HA -0.127 nan 4.340 nan 0.000 0.238 29 R C 0.007 176.315 176.300 0.013 0.000 1.136 29 R CA 1.812 57.917 56.100 0.010 0.000 0.959 29 R CB -0.329 29.980 30.300 0.014 0.000 0.856 29 R HN 0.062 8.335 8.270 0.005 -0.000 0.437 30 D N 0.382 120.790 120.400 0.013 0.000 2.470 30 D HA 0.096 nan 4.640 nan 0.000 0.226 30 D C -0.772 175.533 176.300 0.009 0.000 1.196 30 D CA 0.434 54.442 54.000 0.014 0.000 0.979 30 D CB -1.344 39.462 40.800 0.009 0.000 1.059 30 D HN -0.346 7.912 8.370 0.009 0.117 0.515 31 E N 2.897 123.102 120.200 0.009 0.000 2.106 31 E HA -0.316 nan 4.350 nan 0.000 0.192 31 E C 2.179 178.784 176.600 0.008 0.000 0.984 31 E CA 3.164 59.568 56.400 0.007 0.000 0.806 31 E CB 0.086 29.790 29.700 0.007 0.000 0.750 31 E HN -0.072 8.247 8.360 0.011 0.047 0.458 32 R N -0.772 119.734 120.500 0.010 0.000 2.081 32 R HA -0.254 nan 4.340 nan 0.000 0.235 32 R C 2.330 178.633 176.300 0.006 0.000 1.131 32 R CA 2.702 58.808 56.100 0.010 0.000 0.960 32 R CB -0.497 29.809 30.300 0.011 0.000 0.856 32 R HN 0.256 8.516 8.270 0.012 0.017 0.436 33 L N -4.335 116.889 121.223 0.002 0.000 2.465 33 L HA -0.152 nan 4.340 nan 0.000 0.224 33 L C 1.097 177.966 176.870 -0.001 0.000 1.145 33 L CA 1.820 56.658 54.840 -0.004 0.000 0.834 33 L CB -1.161 40.892 42.059 -0.010 0.000 0.944 33 L HN -0.073 8.021 8.230 0.004 0.139 0.451 34 K N 0.047 120.448 120.400 0.002 0.000 2.074 34 K HA -0.318 nan 4.320 nan 0.000 0.209 34 K C 1.793 178.395 176.600 0.004 0.000 1.048 34 K CA 2.795 59.084 56.287 0.003 0.000 0.926 34 K CB -1.171 31.332 32.500 0.004 0.000 0.713 34 K HN -0.241 7.822 8.250 0.004 0.189 0.444 35 G N -1.509 107.294 108.800 0.005 0.000 2.432 35 G HA2 -0.183 nan 3.960 nan 0.000 0.219 35 G HA3 -0.183 nan 3.960 nan 0.000 0.219 35 G C -0.939 173.964 174.900 0.006 0.000 1.135 35 G CA 0.504 45.608 45.100 0.007 0.000 0.767 35 G HN 0.051 8.319 8.290 0.005 0.025 0.550 36 V N -1.614 118.302 119.914 0.003 0.000 3.093 36 V HA 0.244 nan 4.120 nan 0.000 0.320 36 V C -0.578 175.519 176.094 0.006 0.000 1.093 36 V CA -1.367 60.935 62.300 0.004 0.000 1.016 36 V CB 1.400 33.221 31.823 -0.003 0.000 1.096 36 V HN -0.580 7.568 8.190 0.001 0.043 0.452 37 G N 2.304 111.112 108.800 0.013 0.000 2.154 37 G HA2 -0.310 nan 3.960 nan 0.000 0.186 37 G HA3 -0.310 nan 3.960 nan 0.000 0.186 37 G C -0.001 174.909 174.900 0.016 0.000 1.000 37 G CA 0.495 45.604 45.100 0.014 0.000 0.664 37 G HN 0.421 8.722 8.290 0.019 0.000 0.513 38 I N -4.054 116.526 120.570 0.015 0.000 2.233 38 I HA 0.033 nan 4.170 nan 0.000 0.243 38 I C -0.015 176.111 176.117 0.014 0.000 1.093 38 I CA 1.123 62.427 61.300 0.007 0.000 1.380 38 I CB 0.288 38.282 38.000 -0.009 0.000 1.067 38 I HN -0.304 7.915 8.210 0.015 0.000 0.413 39 L N 2.694 123.938 121.223 0.036 0.000 2.410 39 L HA 0.321 nan 4.340 nan 0.000 0.273 39 L C -2.389 174.529 176.870 0.080 0.000 1.152 39 L CA -2.218 52.664 54.840 0.069 0.000 0.855 39 L CB 0.051 42.209 42.059 0.164 0.000 1.129 39 L HN -0.732 7.753 8.230 0.046 -0.227 0.463 40 P HA 0.184 nan 4.420 nan 0.000 0.274 40 P C 0.122 177.473 177.300 0.085 0.000 1.237 40 P CA -0.341 62.799 63.100 0.067 0.000 0.793 40 P CB 0.615 32.349 31.700 0.058 0.000 0.977 41 R N 3.264 123.804 120.500 0.066 0.000 2.088 41 R HA -0.329 nan 4.340 nan 0.000 0.232 41 R C 2.536 178.888 176.300 0.087 0.000 1.136 41 R CA 3.491 59.633 56.100 0.070 0.000 0.926 41 R CB -0.884 29.443 30.300 0.045 0.000 0.837 41 R HN 0.542 8.842 8.270 0.050 0.000 0.429 42 G N -1.492 107.352 108.800 0.073 0.000 2.432 42 G HA2 -0.181 nan 3.960 nan 0.000 0.219 42 G HA3 -0.181 nan 3.960 nan 0.000 0.219 42 G C -0.049 174.900 174.900 0.081 0.000 1.135 42 G CA 0.537 45.680 45.100 0.071 0.000 0.767 42 G HN 0.322 8.649 8.290 0.063 0.000 0.550 43 T N -0.821 113.792 114.554 0.098 0.000 2.906 43 T HA -0.212 nan 4.350 nan 0.000 0.320 43 T C -0.266 174.508 174.700 0.123 0.000 1.088 43 T CA -0.350 61.817 62.100 0.112 0.000 1.120 43 T CB 0.865 69.815 68.868 0.137 0.000 1.000 43 T HN -0.874 7.375 8.240 0.099 0.051 0.550 44 L N 0.577 121.855 121.223 0.093 0.000 2.397 44 L HA 0.169 nan 4.340 nan 0.000 0.271 44 L C 0.092 177.016 176.870 0.091 0.000 1.148 44 L CA -0.146 54.742 54.840 0.080 0.000 0.825 44 L CB 0.486 42.560 42.059 0.026 0.000 1.117 44 L HN 0.077 8.358 8.230 0.085 0.000 0.456 45 F N 3.568 123.504 119.950 -0.022 0.000 2.404 45 F HA 0.064 nan 4.527 nan 0.000 0.339 45 F C -1.101 174.580 175.800 -0.198 0.000 1.105 45 F CA -0.990 56.956 58.000 -0.091 0.000 1.087 45 F CB 2.320 41.350 39.000 0.051 0.000 1.143 45 F HN -0.136 8.328 8.300 0.274 0.000 0.491 46 S N 5.620 120.507 115.700 -1.356 0.000 2.437 46 S HA 0.158 nan 4.470 nan 0.000 0.305 46 S C 0.153 174.164 174.600 -0.983 0.000 1.109 46 S CA -1.352 56.334 58.200 -0.856 0.000 1.099 46 S CB 1.504 64.311 63.200 -0.655 0.000 1.004 46 S HN -0.125 6.859 8.310 -2.209 0.000 0.475 47 C N 7.355 126.329 119.300 -0.543 0.000 2.450 47 C HA 0.050 nan 4.460 nan 0.000 0.279 47 C C 0.911 175.432 174.990 -0.781 0.000 1.335 47 C CA 1.387 60.044 59.018 -0.601 0.000 1.749 47 C CB -0.289 27.030 27.740 -0.702 0.000 1.963 47 C HN 0.190 8.224 8.230 -0.327 0.000 0.501 48 F N -4.712 115.103 119.950 -0.225 0.000 2.219 48 F HA -0.093 nan 4.527 nan 0.000 0.294 48 F C -0.184 175.446 175.800 -0.283 0.000 1.086 48 F CA 1.869 59.745 58.000 -0.206 0.000 1.330 48 F CB 0.025 38.924 39.000 -0.168 0.000 1.047 48 F HN -0.925 7.141 8.300 -0.346 0.026 0.495 49 H N -0.009 118.939 119.070 -0.203 0.000 2.897 49 H HA -0.107 nan 4.556 nan 0.000 0.347 49 H C 0.774 175.975 175.328 -0.211 0.000 1.068 49 H CA 0.236 56.134 56.048 -0.250 0.000 1.426 49 H CB 2.027 31.795 29.762 0.009 0.000 1.410 49 H HN -0.721 7.534 8.280 -0.042 0.000 0.597 50 A N 6.824 129.272 122.820 -0.620 0.000 1.877 50 A HA -0.293 nan 4.320 nan 0.000 0.216 50 A C 1.638 179.212 177.584 -0.016 0.000 1.186 50 A CA 3.602 55.468 52.037 -0.285 0.000 0.620 50 A CB -0.091 18.741 19.000 -0.281 0.000 0.822 50 A HN 0.707 8.078 8.150 -1.299 0.000 0.443 51 R N -2.292 118.331 120.500 0.205 0.000 2.096 51 R HA -0.338 nan 4.340 nan 0.000 0.235 51 R C 2.368 178.679 176.300 0.019 0.000 1.127 51 R CA 3.033 59.208 56.100 0.124 0.000 0.968 51 R CB -0.914 29.439 30.300 0.088 0.000 0.861 51 R HN -0.552 7.885 8.270 0.277 0.000 0.440 52 H N -0.059 119.051 119.070 0.067 0.000 2.353 52 H HA -0.171 nan 4.556 nan 0.000 0.300 52 H C 2.582 177.932 175.328 0.036 0.000 1.090 52 H CA 3.762 59.777 56.048 -0.055 0.000 1.327 52 H CB 0.108 29.551 29.762 -0.531 0.000 1.383 52 H HN -0.641 7.806 8.280 0.312 0.021 0.508 53 L N -1.319 119.953 121.223 0.081 0.000 2.083 53 L HA -0.368 nan 4.340 nan 0.000 0.209 53 L C 1.901 178.825 176.870 0.091 0.000 1.083 53 L CA 2.765 57.641 54.840 0.061 0.000 0.752 53 L CB -0.628 41.421 42.059 -0.018 0.000 0.899 53 L HN -0.201 7.960 8.230 0.052 0.099 0.433 54 A N -0.912 121.948 122.820 0.067 0.000 1.902 54 A HA -0.386 nan 4.320 nan 0.000 0.217 54 A C 2.097 179.717 177.584 0.060 0.000 1.181 54 A CA 3.362 55.434 52.037 0.059 0.000 0.623 54 A CB -1.104 17.920 19.000 0.039 0.000 0.818 54 A HN 0.317 8.410 8.150 0.052 0.088 0.443 55 E N -1.280 118.960 120.200 0.066 0.000 2.077 55 E HA -0.405 nan 4.350 nan 0.000 0.193 55 E C 2.362 178.963 176.600 0.002 0.000 0.989 55 E CA 2.842 59.270 56.400 0.048 0.000 0.800 55 E CB -0.099 29.651 29.700 0.083 0.000 0.746 55 E HN -0.478 7.927 8.360 0.076 0.000 0.452 56 A N -1.347 121.479 122.820 0.011 0.000 1.902 56 A HA -0.260 nan 4.320 nan 0.000 0.217 56 A C 2.069 179.410 177.584 -0.404 0.000 1.181 56 A CA 3.365 55.254 52.037 -0.247 0.000 0.623 56 A CB -0.865 18.006 19.000 -0.216 0.000 0.818 56 A HN -0.059 8.096 8.150 0.129 0.072 0.443 57 T N -0.235 114.371 114.554 0.087 0.000 2.746 57 T HA -0.309 nan 4.350 nan 0.000 0.267 57 T C 1.766 176.600 174.700 0.223 0.000 1.039 57 T CA 4.519 66.870 62.100 0.417 0.000 1.142 57 T CB -0.479 68.550 68.868 0.268 0.000 0.866 57 T HN 0.123 8.352 8.240 0.118 0.082 0.444 58 E N 1.631 121.872 120.200 0.068 0.000 2.077 58 E HA -0.271 nan 4.350 nan 0.000 0.193 58 E C 1.942 178.555 176.600 0.022 0.000 0.989 58 E CA 2.815 59.242 56.400 0.045 0.000 0.800 58 E CB -0.575 29.137 29.700 0.020 0.000 0.746 58 E HN -0.353 7.948 8.360 0.047 0.087 0.452 59 L N -1.329 119.851 121.223 -0.073 0.000 2.046 59 L HA -0.391 nan 4.340 nan 0.000 0.208 59 L C 2.308 179.154 176.870 -0.040 0.000 1.077 59 L CA 3.206 57.983 54.840 -0.105 0.000 0.747 59 L CB -0.265 41.665 42.059 -0.215 0.000 0.896 59 L HN -0.209 7.848 8.230 -0.122 0.099 0.432 60 Y N -3.097 117.260 120.300 0.096 0.000 2.181 60 Y HA -0.445 nan 4.550 nan 0.000 0.288 60 Y C 2.290 178.357 175.900 0.278 0.000 1.146 60 Y CA 4.162 62.378 58.100 0.193 0.000 1.164 60 Y CB -1.167 37.499 38.460 0.343 0.000 0.982 60 Y HN -0.281 7.766 8.280 -0.235 0.091 0.515 61 V N -4.376 115.766 119.914 0.380 0.000 2.332 61 V HA -0.442 nan 4.120 nan 0.000 0.248 61 V C 1.576 177.797 176.094 0.211 0.000 1.055 61 V CA 3.565 66.026 62.300 0.268 0.000 1.038 61 V CB -1.615 30.278 31.823 0.116 0.000 0.651 61 V HN 0.116 8.495 8.190 0.325 0.006 0.450 62 A N 0.289 123.185 122.820 0.126 0.000 1.902 62 A HA -0.278 nan 4.320 nan 0.000 0.217 62 A C 1.911 179.534 177.584 0.066 0.000 1.181 62 A CA 3.067 55.144 52.037 0.068 0.000 0.623 62 A CB -0.908 18.101 19.000 0.015 0.000 0.818 62 A HN -0.585 7.529 8.150 0.111 0.103 0.443 63 L N -2.357 118.897 121.223 0.051 0.000 2.046 63 L HA -0.400 nan 4.340 nan 0.000 0.208 63 L C 2.228 179.146 176.870 0.081 0.000 1.077 63 L CA 3.181 58.030 54.840 0.016 0.000 0.747 63 L CB -0.687 41.367 42.059 -0.008 0.000 0.896 63 L HN -0.480 7.705 8.230 0.073 0.089 0.432 64 Y N -2.668 117.738 120.300 0.177 0.000 2.181 64 Y HA -0.413 nan 4.550 nan 0.000 0.288 64 Y C 2.918 178.879 175.900 0.101 0.000 1.146 64 Y CA 3.353 61.533 58.100 0.133 0.000 1.164 64 Y CB -0.440 38.051 38.460 0.053 0.000 0.982 64 Y HN 0.327 8.586 8.280 0.277 0.187 0.515 65 G N -2.470 106.462 108.800 0.221 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 -0.442 174.524 174.900 0.111 0.000 1.127 65 G CA 0.183 45.364 45.100 0.135 0.000 0.766 65 G HN -0.051 8.167 8.290 0.226 0.208 0.552 66 A N 1.001 123.892 122.820 0.117 0.000 2.580 66 A HA -0.169 nan 4.320 nan 0.000 0.244 66 A C -0.190 177.458 177.584 0.105 0.000 1.045 66 A CA 0.122 52.222 52.037 0.104 0.000 0.761 66 A CB 0.095 19.180 19.000 0.142 0.000 0.962 66 A HN -0.641 7.434 8.150 0.131 0.153 0.512 67 K N 3.474 123.921 120.400 0.078 0.000 2.026 67 K HA -0.259 nan 4.320 nan 0.000 0.208 67 K C -0.702 175.949 176.600 0.085 0.000 1.048 67 K CA 2.329 58.659 56.287 0.071 0.000 0.929 67 K CB 0.379 32.909 32.500 0.050 0.000 0.713 67 K HN 0.347 8.806 8.250 0.063 -0.172 0.439 68 D N -5.420 115.037 120.400 0.096 0.000 2.636 68 D HA -0.038 nan 4.640 nan 0.000 0.275 68 D C -0.263 176.134 176.300 0.162 0.000 1.130 68 D CA -1.699 52.376 54.000 0.125 0.000 1.031 68 D CB 0.782 41.648 40.800 0.110 0.000 1.451 68 D HN -0.525 7.897 8.370 0.087 0.000 0.505 69 F N -0.032 119.959 119.950 0.068 0.000 2.134 69 F HA -0.284 nan 4.527 nan 0.000 0.299 69 F C 0.694 176.597 175.800 0.172 0.000 1.097 69 F CA 3.739 61.788 58.000 0.081 0.000 1.264 69 F CB 0.377 39.378 39.000 0.002 0.000 1.001 69 F HN 0.115 8.566 8.300 0.294 0.025 0.479 70 N N -2.259 116.560 118.700 0.199 0.000 2.120 70 N HA -0.323 nan 4.740 nan 0.000 0.188 70 N C 2.439 177.984 175.510 0.058 0.000 1.024 70 N CA 3.284 56.411 53.050 0.128 0.000 0.852 70 N CB -1.250 37.309 38.487 0.119 0.000 1.003 70 N HN 0.074 8.578 8.380 0.232 0.015 0.424 71 D N 0.459 120.894 120.400 0.058 0.000 2.144 71 D HA -0.230 nan 4.640 nan 0.000 0.199 71 D C 1.767 178.081 176.300 0.022 0.000 0.984 71 D CA 2.648 56.674 54.000 0.044 0.000 0.834 71 D CB -0.145 40.679 40.800 0.042 0.000 0.955 71 D HN -0.050 8.542 8.370 0.079 -0.175 0.465 72 F N 1.572 121.407 119.950 -0.191 0.000 2.102 72 F HA -0.336 nan 4.527 nan 0.000 0.298 72 F C 1.698 177.316 175.800 -0.303 0.000 1.105 72 F CA 3.399 61.222 58.000 -0.295 0.000 1.239 72 F CB 0.293 38.968 39.000 -0.541 0.000 0.991 72 F HN -0.176 8.093 8.300 0.085 0.082 0.474 73 I N -2.198 118.254 120.570 -0.196 0.000 2.226 73 I HA -0.556 nan 4.170 nan 0.000 0.245 73 I C 1.949 177.974 176.117 -0.154 0.000 1.100 73 I CA 2.588 63.789 61.300 -0.166 0.000 1.374 73 I CB -1.740 36.247 38.000 -0.021 0.000 1.057 73 I HN 0.205 8.232 8.210 -0.172 0.080 0.413 74 H N 1.472 120.455 119.070 -0.144 0.000 2.293 74 H HA -0.311 nan 4.556 nan 0.000 0.300 74 H C 2.272 177.516 175.328 -0.139 0.000 1.082 74 H CA 4.547 60.531 56.048 -0.107 0.000 1.308 74 H CB 0.341 30.064 29.762 -0.066 0.000 1.375 74 H HN -0.359 7.872 8.280 0.051 0.080 0.495 75 L N -1.543 119.631 121.223 -0.083 0.000 2.083 75 L HA -0.286 nan 4.340 nan 0.000 0.209 75 L C 1.640 178.370 176.870 -0.233 0.000 1.083 75 L CA 3.111 57.870 54.840 -0.135 0.000 0.752 75 L CB -0.699 41.298 42.059 -0.103 0.000 0.899 75 L HN -0.097 8.108 8.230 -0.043 0.000 0.433 76 C N -0.228 118.867 119.300 -0.342 0.000 2.413 76 C HA -0.487 nan 4.460 nan 0.000 0.276 76 C C 1.667 176.559 174.990 -0.163 0.000 1.236 76 C CA 4.158 63.021 59.018 -0.258 0.000 1.735 76 C CB -1.977 25.496 27.740 -0.446 0.000 2.031 76 C HN -0.184 7.768 8.230 -0.437 0.015 0.474 77 E N -0.570 119.489 120.200 -0.236 0.000 2.085 77 E HA -0.504 nan 4.350 nan 0.000 0.194 77 E C 2.409 178.849 176.600 -0.267 0.000 0.994 77 E CA 3.213 59.471 56.400 -0.237 0.000 0.801 77 E CB -0.289 29.269 29.700 -0.236 0.000 0.743 77 E HN 0.150 8.161 8.360 -0.267 0.189 0.453 78 Q N -0.853 118.759 119.800 -0.313 0.000 2.083 78 Q HA -0.217 nan 4.340 nan 0.000 0.198 78 Q C 2.717 178.612 176.000 -0.174 0.000 0.969 78 Q CA 2.671 58.323 55.803 -0.252 0.000 0.838 78 Q CB 0.108 28.689 28.738 -0.262 0.000 0.900 78 Q HN -0.249 7.717 8.270 -0.387 0.072 0.436 79 A N 0.777 123.512 122.820 -0.142 0.000 1.933 79 A HA -0.278 nan 4.320 nan 0.000 0.218 79 A C 1.487 179.002 177.584 -0.114 0.000 1.175 79 A CA 2.991 54.981 52.037 -0.078 0.000 0.628 79 A CB -0.870 18.124 19.000 -0.010 0.000 0.814 79 A HN 0.628 8.490 8.150 -0.159 0.193 0.444 80 R N -2.986 117.353 120.500 -0.269 0.000 2.152 80 R HA -0.364 nan 4.340 nan 0.000 0.232 80 R C 1.586 177.669 176.300 -0.361 0.000 1.117 80 R CA 3.043 58.769 56.100 -0.624 0.000 0.981 80 R CB -0.133 29.472 30.300 -1.159 0.000 0.870 80 R HN -0.182 7.925 8.270 -0.241 0.018 0.451 81 Q N -2.882 116.776 119.800 -0.236 0.000 2.050 81 Q HA -0.257 nan 4.340 nan 0.000 0.202 81 Q C 1.494 177.429 176.000 -0.108 0.000 0.980 81 Q CA 2.376 58.083 55.803 -0.159 0.000 0.840 81 Q CB 0.141 28.805 28.738 -0.123 0.000 0.898 81 Q HN -0.612 7.373 8.270 -0.221 0.152 0.424 82 I N -3.656 116.864 120.570 -0.084 0.000 2.339 82 I HA -0.142 nan 4.170 nan 0.000 0.245 82 I C 0.225 176.328 176.117 -0.023 0.000 1.096 82 I CA 0.991 62.265 61.300 -0.044 0.000 1.408 82 I CB 1.390 39.370 38.000 -0.032 0.000 1.092 82 I HN -0.717 7.436 8.210 -0.094 0.000 0.423 83 V N -4.427 115.476 119.914 -0.018 0.000 3.185 83 V HA 0.062 nan 4.120 nan 0.000 0.305 83 V C -1.041 175.078 176.094 0.041 0.000 1.090 83 V CA -1.880 60.433 62.300 0.023 0.000 1.107 83 V CB -0.063 31.789 31.823 0.048 0.000 1.061 83 V HN -0.457 7.709 8.190 -0.040 0.000 0.480 84 N N 0.815 119.560 118.700 0.076 0.000 2.454 84 N HA -0.175 nan 4.740 nan 0.000 0.254 84 N C 1.280 176.858 175.510 0.114 0.000 1.228 84 N CA 0.205 53.317 53.050 0.104 0.000 0.900 84 N CB 1.118 39.704 38.487 0.165 0.000 1.089 84 N HN -0.059 8.369 8.380 0.081 0.000 0.449 85 E N 3.140 123.420 120.200 0.134 0.000 2.106 85 E HA -0.321 nan 4.350 nan 0.000 0.192 85 E C 1.738 178.497 176.600 0.266 0.000 0.984 85 E CA 3.008 59.526 56.400 0.197 0.000 0.806 85 E CB -0.869 28.959 29.700 0.214 0.000 0.750 85 E HN 0.246 8.682 8.360 0.127 0.000 0.458 86 G N -0.310 108.596 108.800 0.177 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 1.129 175.950 174.900 -0.132 0.000 1.158 86 G CA 1.583 46.758 45.100 0.125 0.000 0.771 86 G HN -0.321 8.125 8.290 0.170 -0.055 0.545 87 M N 2.713 122.054 119.600 -0.431 0.000 2.159 87 M HA -0.357 nan 4.480 nan 0.000 0.263 87 M C 0.867 177.002 176.300 -0.274 0.000 1.063 87 M CA 3.305 58.107 55.300 -0.830 0.000 1.110 87 M CB 0.061 32.377 32.600 -0.474 0.000 1.374 87 M HN 0.098 8.631 8.290 -0.162 -0.340 0.411 88 F N -0.599 119.264 119.950 -0.145 0.000 2.102 88 F HA -0.403 nan 4.527 nan 0.000 0.298 88 F C 1.110 176.932 175.800 0.036 0.000 1.105 88 F CA 4.205 62.164 58.000 -0.069 0.000 1.239 88 F CB -0.079 38.893 39.000 -0.047 0.000 0.991 88 F HN -0.369 7.924 8.300 0.145 0.093 0.474 89 V N -0.271 119.765 119.914 0.203 0.000 2.407 89 V HA -0.468 nan 4.120 nan 0.000 0.248 89 V C 1.019 177.269 176.094 0.259 0.000 1.055 89 V CA 4.025 66.500 62.300 0.292 0.000 1.049 89 V CB -1.001 31.203 31.823 0.634 0.000 0.662 89 V HN 0.033 8.460 8.190 0.395 0.000 0.455 90 Y N 0.541 120.900 120.300 0.098 0.000 2.145 90 Y HA -0.475 nan 4.550 nan 0.000 0.286 90 Y C 1.341 177.252 175.900 0.019 0.000 1.145 90 Y CA 3.770 61.897 58.100 0.046 0.000 1.148 90 Y CB -0.317 38.032 38.460 -0.185 0.000 0.981 90 Y HN -0.426 7.877 8.280 0.209 0.102 0.507 91 A N -1.689 121.145 122.820 0.024 0.000 1.898 91 A HA -0.366 nan 4.320 nan 0.000 0.216 91 A C 2.125 179.728 177.584 0.031 0.000 1.181 91 A CA 3.140 55.068 52.037 -0.180 0.000 0.620 91 A CB -0.647 18.088 19.000 -0.442 0.000 0.819 91 A HN 0.190 8.273 8.150 -0.112 0.000 0.442 92 V N -4.404 115.380 119.914 -0.216 0.000 2.358 92 V HA -0.372 nan 4.120 nan 0.000 0.246 92 V C 1.849 178.057 176.094 0.190 0.000 1.047 92 V CA 3.887 66.101 62.300 -0.144 0.000 1.035 92 V CB -1.321 30.166 31.823 -0.561 0.000 0.658 92 V HN 0.146 8.076 8.190 -0.434 0.000 0.452 93 S N 0.311 116.166 115.700 0.259 0.000 2.382 93 S HA -0.269 nan 4.470 nan 0.000 0.228 93 S C 2.017 176.772 174.600 0.258 0.000 1.027 93 S CA 3.521 61.903 58.200 0.304 0.000 0.991 93 S CB -0.439 62.942 63.200 0.301 0.000 0.823 93 S HN -0.288 8.143 8.310 0.201 0.000 0.469 94 V N 1.353 121.472 119.914 0.341 0.000 2.343 94 V HA -0.379 nan 4.120 nan 0.000 0.247 94 V C 1.851 178.247 176.094 0.502 0.000 1.051 94 V CA 4.036 66.618 62.300 0.469 0.000 1.036 94 V CB -1.053 31.127 31.823 0.595 0.000 0.654 94 V HN -0.431 7.980 8.190 0.367 0.000 0.451 95 A N -0.614 122.388 122.820 0.302 0.000 1.902 95 A HA -0.287 nan 4.320 nan 0.000 0.217 95 A C 1.850 179.430 177.584 -0.006 0.000 1.181 95 A CA 3.597 55.594 52.037 -0.066 0.000 0.623 95 A CB -0.836 18.198 19.000 0.057 0.000 0.818 95 A HN -0.239 8.039 8.150 0.339 0.075 0.443 96 V N -0.354 119.615 119.914 0.092 0.000 2.407 96 V HA -0.399 nan 4.120 nan 0.000 0.248 96 V C 1.344 177.439 176.094 0.003 0.000 1.055 96 V CA 3.770 66.086 62.300 0.027 0.000 1.049 96 V CB -0.829 31.065 31.823 0.117 0.000 0.662 96 V HN 0.010 8.236 8.190 0.189 0.078 0.455 97 L N -2.254 118.984 121.223 0.025 0.000 2.005 97 L HA -0.373 nan 4.340 nan 0.000 0.207 97 L C 1.798 178.537 176.870 -0.219 0.000 1.072 97 L CA 3.202 57.955 54.840 -0.145 0.000 0.744 97 L CB 0.161 42.056 42.059 -0.272 0.000 0.895 97 L HN -0.308 7.906 8.230 0.110 0.082 0.433 98 H N -4.781 114.400 119.070 0.186 0.000 2.384 98 H HA 0.012 nan 4.556 nan 0.000 0.300 98 H C 1.137 176.606 175.328 0.235 0.000 1.057 98 H CA 2.547 58.758 56.048 0.272 0.000 1.370 98 H CB 0.676 30.754 29.762 0.528 0.000 1.417 98 H HN -0.505 7.976 8.280 0.334 0.000 0.527 99 R N 1.146 121.805 120.500 0.266 0.000 2.351 99 R HA -0.120 nan 4.340 nan 0.000 0.318 99 R C 0.698 177.033 176.300 0.059 0.000 1.055 99 R CA -0.001 56.186 56.100 0.145 0.000 0.968 99 R CB 0.160 30.417 30.300 -0.071 0.000 0.974 99 R HN 0.036 8.399 8.270 0.156 0.000 0.439 100 E N 5.295 125.544 120.200 0.082 0.000 2.097 100 E HA -0.397 nan 4.350 nan 0.000 0.196 100 E C 1.192 177.790 176.600 -0.002 0.000 1.000 100 E CA 3.534 59.958 56.400 0.040 0.000 0.804 100 E CB -0.572 29.159 29.700 0.051 0.000 0.740 100 E HN 0.434 8.870 8.360 0.126 0.000 0.454 101 D N -0.393 120.020 120.400 0.022 0.000 2.133 101 D HA -0.229 nan 4.640 nan 0.000 0.195 101 D C 1.666 177.895 176.300 -0.119 0.000 0.997 101 D CA 2.799 56.810 54.000 0.020 0.000 0.840 101 D CB -0.486 40.427 40.800 0.189 0.000 0.947 101 D HN 0.001 8.384 8.370 0.051 0.017 0.452 102 C N -0.378 118.866 119.300 -0.094 0.000 2.420 102 C HA -0.090 nan 4.460 nan 0.000 0.373 102 C C 0.507 175.400 174.990 -0.163 0.000 1.356 102 C CA -1.070 57.834 59.018 -0.190 0.000 1.531 102 C CB -2.486 25.187 27.740 -0.111 0.000 1.613 102 C HN -0.143 7.985 8.230 -0.028 0.085 0.597 103 K N 3.822 124.136 120.400 -0.143 0.000 3.256 103 K HA -0.142 nan 4.320 nan 0.000 0.285 103 K C -0.562 175.945 176.600 -0.154 0.000 1.086 103 K CA -0.185 56.032 56.287 -0.117 0.000 1.125 103 K CB -2.627 29.822 32.500 -0.085 0.000 1.292 103 K HN 0.058 8.058 8.250 -0.128 0.174 0.312 104 G N -2.149 106.537 108.800 -0.191 0.000 3.941 104 G HA2 0.082 nan 3.960 nan 0.000 0.222 104 G HA3 0.082 nan 3.960 nan 0.000 0.222 104 G C -1.495 173.268 174.900 -0.228 0.000 1.118 104 G CA 0.209 45.179 45.100 -0.217 0.000 0.880 104 G HN 0.068 8.188 8.290 -0.180 0.062 0.546 105 I N 0.621 121.054 120.570 -0.229 0.000 2.651 105 I HA 0.094 nan 4.170 nan 0.000 0.287 105 I C -1.731 174.223 176.117 -0.270 0.000 1.244 105 I CA -0.835 60.318 61.300 -0.245 0.000 1.061 105 I CB 2.680 40.560 38.000 -0.200 0.000 1.286 105 I HN -0.618 7.474 8.210 -0.196 0.000 0.434 106 T N 5.597 119.918 114.554 -0.388 0.000 2.847 106 T HA 0.167 nan 4.350 nan 0.000 0.279 106 T C -1.192 173.349 174.700 -0.265 0.000 0.984 106 T CA -0.834 61.033 62.100 -0.388 0.000 0.988 106 T CB 1.046 69.582 68.868 -0.552 0.000 1.040 106 T HN 0.068 8.250 8.240 -0.368 -0.163 0.528 107 V N 2.345 122.114 119.914 -0.242 0.000 2.630 107 V HA 0.332 nan 4.120 nan 0.000 0.305 107 V C -1.900 173.905 176.094 -0.482 0.000 1.046 107 V CA -3.447 58.621 62.300 -0.385 0.000 0.934 107 V CB 0.535 32.196 31.823 -0.270 0.000 1.003 107 V HN 0.425 8.511 8.190 -0.175 0.000 0.451 108 P HA 0.257 nan 4.420 nan 0.000 0.269 108 P C -2.622 174.498 177.300 -0.300 0.000 1.215 108 P CA -1.299 61.464 63.100 -0.560 0.000 0.780 108 P CB -0.145 31.200 31.700 -0.592 0.000 0.898 109 P HA 0.030 nan 4.420 nan 0.000 0.268 109 P C 0.445 177.688 177.300 -0.094 0.000 1.204 109 P CA -0.300 62.755 63.100 -0.074 0.000 0.768 109 P CB 0.452 32.115 31.700 -0.061 0.000 0.842 110 I N -0.713 119.800 120.570 -0.094 0.000 2.252 110 I HA -0.458 nan 4.170 nan 0.000 0.245 110 I C 1.323 177.369 176.117 -0.119 0.000 1.102 110 I CA 3.924 65.144 61.300 -0.133 0.000 1.385 110 I CB -0.129 37.682 38.000 -0.314 0.000 1.064 110 I HN 0.320 8.528 8.210 -0.003 0.000 0.414 111 Q N 0.711 120.161 119.800 -0.584 0.000 2.084 111 Q HA -0.339 nan 4.340 nan 0.000 0.202 111 Q C 1.300 177.047 176.000 -0.421 0.000 0.978 111 Q CA 3.612 58.610 55.803 -1.342 0.000 0.844 111 Q CB -1.171 26.720 28.738 -1.412 0.000 0.898 111 Q HN 0.298 8.287 8.270 -0.469 0.000 0.426 112 E N -2.765 117.297 120.200 -0.229 0.000 2.107 112 E HA -0.207 nan 4.350 nan 0.000 0.191 112 E C 1.815 178.387 176.600 -0.047 0.000 0.982 112 E CA 2.268 58.623 56.400 -0.076 0.000 0.809 112 E CB -0.034 29.656 29.700 -0.017 0.000 0.756 112 E HN 0.014 8.136 8.360 -0.235 0.097 0.459 113 V N -4.669 115.197 119.914 -0.079 0.000 2.307 113 V HA -0.161 nan 4.120 nan 0.000 0.245 113 V C 0.655 176.472 176.094 -0.461 0.000 1.045 113 V CA 2.231 64.389 62.300 -0.236 0.000 1.024 113 V CB 0.084 31.747 31.823 -0.267 0.000 0.651 113 V HN -0.126 7.808 8.190 -0.075 0.211 0.449 114 F N -1.240 118.764 119.950 0.091 0.000 2.449 114 F HA 0.609 nan 4.527 nan 0.000 0.344 114 F C -1.123 174.826 175.800 0.247 0.000 1.180 114 F CA -3.087 55.001 58.000 0.147 0.000 1.209 114 F CB 0.438 39.520 39.000 0.136 0.000 1.440 114 F HN -0.053 8.242 8.300 0.169 0.106 0.526 115 P HA -0.222 nan 4.420 nan 0.000 0.220 115 P C 0.196 177.691 177.300 0.325 0.000 1.148 115 P CA 2.565 65.824 63.100 0.265 0.000 0.803 115 P CB -0.146 31.634 31.700 0.132 0.000 0.782 116 D N -3.574 117.001 120.400 0.291 0.000 2.178 116 D HA -0.276 nan 4.640 nan 0.000 0.202 116 D C 1.493 177.930 176.300 0.228 0.000 0.974 116 D CA 2.690 56.833 54.000 0.239 0.000 0.841 116 D CB -1.035 39.895 40.800 0.217 0.000 0.953 116 D HN 0.494 8.999 8.370 0.318 0.055 0.478 117 R N -2.251 118.387 120.500 0.230 0.000 2.115 117 R HA -0.199 nan 4.340 nan 0.000 0.226 117 R C 1.471 177.628 176.300 -0.238 0.000 1.100 117 R CA 2.139 58.236 56.100 -0.006 0.000 0.980 117 R CB -0.729 29.477 30.300 -0.156 0.000 0.875 117 R HN -0.496 7.962 8.270 0.343 0.018 0.445 118 F N -2.554 117.428 119.950 0.053 0.000 2.234 118 F HA -0.074 nan 4.527 nan 0.000 0.296 118 F C -0.241 175.562 175.800 0.005 0.000 1.089 118 F CA 2.233 60.230 58.000 -0.006 0.000 1.343 118 F CB 0.741 39.715 39.000 -0.043 0.000 1.040 118 F HN -0.796 7.645 8.300 0.465 0.137 0.498 119 V N -7.514 112.527 119.914 0.211 0.000 2.919 119 V HA 0.474 nan 4.120 nan 0.000 0.316 119 V C -2.799 173.383 176.094 0.145 0.000 1.077 119 V CA -4.517 57.881 62.300 0.163 0.000 0.977 119 V CB 0.167 32.091 31.823 0.169 0.000 1.039 119 V HN -0.561 7.773 8.190 0.240 0.000 0.441 120 P HA 0.119 nan 4.420 nan 0.000 0.272 120 P C -0.783 176.596 177.300 0.132 0.000 1.230 120 P CA -0.763 62.419 63.100 0.136 0.000 0.788 120 P CB 0.803 32.570 31.700 0.111 0.000 0.949 121 A N 1.536 124.442 122.820 0.143 0.000 1.933 121 A HA -0.363 nan 4.320 nan 0.000 0.218 121 A C 1.896 179.542 177.584 0.102 0.000 1.175 121 A CA 3.372 55.484 52.037 0.125 0.000 0.628 121 A CB -0.445 18.633 19.000 0.128 0.000 0.814 121 A HN 0.212 8.464 8.150 0.170 0.000 0.444 122 E N -2.454 117.803 120.200 0.096 0.000 2.058 122 E HA -0.403 nan 4.350 nan 0.000 0.194 122 E C 2.163 178.807 176.600 0.075 0.000 0.997 122 E CA 3.338 59.784 56.400 0.076 0.000 0.801 122 E CB -0.805 28.931 29.700 0.060 0.000 0.746 122 E HN 0.256 8.671 8.360 0.104 0.007 0.450 123 T N -1.708 112.896 114.554 0.084 0.000 3.113 123 T HA 0.004 nan 4.350 nan 0.000 0.263 123 T C 2.208 176.960 174.700 0.085 0.000 1.143 123 T CA 2.085 64.236 62.100 0.084 0.000 1.090 123 T CB -0.773 68.153 68.868 0.097 0.000 0.922 123 T HN 0.333 8.627 8.240 0.091 0.000 0.521 124 I N 2.785 123.409 120.570 0.090 0.000 2.270 124 I HA -0.369 nan 4.170 nan 0.000 0.239 124 I C 0.899 177.058 176.117 0.069 0.000 1.080 124 I CA 3.589 64.941 61.300 0.086 0.000 1.383 124 I CB -0.027 38.031 38.000 0.098 0.000 1.097 124 I HN -0.573 7.503 8.210 0.095 0.191 0.420 125 N N 0.022 118.762 118.700 0.065 0.000 2.043 125 N HA -0.367 nan 4.740 nan 0.000 0.193 125 N C 2.244 177.784 175.510 0.050 0.000 1.037 125 N CA 3.694 56.776 53.050 0.053 0.000 0.851 125 N CB 0.047 38.563 38.487 0.049 0.000 1.027 125 N HN 0.066 8.489 8.380 0.072 0.000 0.422 126 R N -1.307 119.225 120.500 0.053 0.000 2.096 126 R HA -0.384 nan 4.340 nan 0.000 0.240 126 R C 1.980 178.310 176.300 0.049 0.000 1.139 126 R CA 3.468 59.598 56.100 0.050 0.000 0.952 126 R CB -0.246 30.084 30.300 0.051 0.000 0.854 126 R HN 0.413 8.717 8.270 0.057 0.000 0.436 127 A N -1.453 121.398 122.820 0.052 0.000 1.858 127 A HA -0.267 nan 4.320 nan 0.000 0.216 127 A C 2.318 179.928 177.584 0.044 0.000 1.190 127 A CA 3.033 55.099 52.037 0.049 0.000 0.617 127 A CB -0.807 18.225 19.000 0.053 0.000 0.827 127 A HN -0.542 7.643 8.150 0.057 0.000 0.443 128 N N -1.735 116.991 118.700 0.043 0.000 2.120 128 N HA -0.335 nan 4.740 nan 0.000 0.188 128 N C 2.256 177.783 175.510 0.029 0.000 1.024 128 N CA 2.816 55.886 53.050 0.033 0.000 0.852 128 N CB -0.516 37.991 38.487 0.033 0.000 1.003 128 N HN -0.184 8.225 8.380 0.048 0.000 0.424 129 K N 1.023 121.443 120.400 0.033 0.000 2.057 129 K HA -0.351 nan 4.320 nan 0.000 0.207 129 K C 2.114 178.737 176.600 0.038 0.000 1.049 129 K CA 3.493 59.798 56.287 0.030 0.000 0.931 129 K CB 0.021 32.541 32.500 0.034 0.000 0.714 129 K HN 0.404 8.476 8.250 0.039 0.201 0.440 130 E N -1.240 118.990 120.200 0.049 0.000 2.153 130 E HA -0.347 nan 4.350 nan 0.000 0.194 130 E C 2.294 178.932 176.600 0.062 0.000 0.988 130 E CA 2.787 59.227 56.400 0.066 0.000 0.811 130 E CB -0.252 29.484 29.700 0.059 0.000 0.746 130 E HN -0.063 8.237 8.360 0.046 0.088 0.466 131 A N -1.108 121.738 122.820 0.044 0.000 1.877 131 A HA -0.220 nan 4.320 nan 0.000 0.216 131 A C 1.523 179.121 177.584 0.023 0.000 1.186 131 A CA 3.187 55.245 52.037 0.036 0.000 0.620 131 A CB -0.482 18.532 19.000 0.024 0.000 0.822 131 A HN -0.187 7.900 8.150 0.040 0.087 0.443 132 S N -1.961 113.745 115.700 0.009 0.000 2.395 132 S HA -0.150 nan 4.470 nan 0.000 0.225 132 S C 1.652 176.232 174.600 -0.033 0.000 1.027 132 S CA 2.087 60.279 58.200 -0.013 0.000 0.965 132 S CB 0.365 63.554 63.200 -0.018 0.000 0.812 132 S HN -0.412 7.905 8.310 0.013 0.000 0.482 133 N N 1.199 119.890 118.700 -0.015 0.000 2.025 133 N HA -0.231 nan 4.740 nan 0.000 0.194 133 N C 0.170 175.532 175.510 -0.247 0.000 1.044 133 N CA 2.540 55.542 53.050 -0.080 0.000 0.851 133 N CB 0.593 39.122 38.487 0.071 0.000 1.036 133 N HN -0.036 8.123 8.380 0.023 0.234 0.422 134 H N -1.977 117.096 119.070 0.006 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 0.005 0.000 0.973 134 H CA -2.279 53.772 56.048 0.005 0.000 1.321 134 H CB 1.395 31.160 29.762 0.006 0.000 1.535 134 H HN -0.601 7.763 8.280 0.139 0.000 0.518 135 P HA -0.011 nan 4.420 nan 0.000 0.271 135 P C -1.653 175.689 177.300 0.070 0.000 1.220 135 P CA -0.096 63.035 63.100 0.053 0.000 0.768 135 P CB 0.479 32.191 31.700 0.019 0.000 0.848 136 D N 2.891 123.326 120.400 0.057 0.000 2.751 136 D HA -0.023 nan 4.640 nan 0.000 0.236 136 D C -0.044 176.281 176.300 0.041 0.000 1.196 136 D CA -0.027 54.002 54.000 0.048 0.000 0.741 136 D CB 1.459 42.289 40.800 0.049 0.000 1.474 136 D HN -0.411 7.991 8.370 0.054 0.000 0.452 137 Q N 1.427 121.247 119.800 0.033 0.000 2.224 137 Q HA -0.200 nan 4.340 nan 0.000 0.203 137 Q C -0.055 175.960 176.000 0.025 0.000 0.970 137 Q CA 2.174 57.996 55.803 0.032 0.000 0.865 137 Q CB 0.250 29.001 28.738 0.023 0.000 0.922 137 Q HN 0.138 8.426 8.270 0.029 0.000 0.445 138 Q N -1.445 118.366 119.800 0.019 0.000 2.352 138 Q HA -0.241 nan 4.340 nan 0.000 0.326 138 Q C -0.881 175.126 176.000 0.013 0.000 1.135 138 Q CA 0.923 56.732 55.803 0.011 0.000 1.000 138 Q CB 0.465 29.206 28.738 0.005 0.000 1.237 138 Q HN -0.265 8.158 8.270 0.021 -0.141 0.409 139 S N 2.367 118.069 115.700 0.003 0.000 2.592 139 S HA 0.372 nan 4.470 nan 0.000 0.271 139 S C -0.739 173.865 174.600 0.005 0.000 1.326 139 S CA 0.202 58.402 58.200 0.001 0.000 1.024 139 S CB 0.826 64.020 63.200 -0.009 0.000 0.921 139 S HN 0.098 8.407 8.310 -0.002 0.000 0.527 140 I N 2.467 123.042 120.570 0.010 0.000 2.474 140 I HA 0.330 nan 4.170 nan 0.000 0.294 140 I C -2.100 174.022 176.117 0.010 0.000 1.005 140 I CA -0.534 60.775 61.300 0.015 0.000 1.113 140 I CB 2.422 40.438 38.000 0.026 0.000 1.289 140 I HN 0.130 8.345 8.210 0.008 0.000 0.436 141 V N 6.682 126.601 119.914 0.009 0.000 2.656 141 V HA 0.662 nan 4.120 nan 0.000 0.307 141 V C -1.712 174.391 176.094 0.015 0.000 1.051 141 V CA -1.771 60.532 62.300 0.005 0.000 0.893 141 V CB 2.353 34.171 31.823 -0.007 0.000 0.999 141 V HN 0.131 8.328 8.190 0.011 0.000 0.426 142 V N 7.641 127.568 119.914 0.022 0.000 2.588 142 V HA 0.393 nan 4.120 nan 0.000 0.304 142 V C -1.910 174.206 176.094 0.038 0.000 1.042 142 V CA -1.208 61.113 62.300 0.035 0.000 0.877 142 V CB 3.553 35.406 31.823 0.049 0.000 0.996 142 V HN 0.607 8.809 8.190 0.021 0.000 0.425 143 E N 6.386 126.612 120.200 0.043 0.000 2.052 143 E HA 0.177 nan 4.350 nan 0.000 0.283 143 E C 0.263 176.921 176.600 0.096 0.000 1.071 143 E CA -1.053 55.382 56.400 0.058 0.000 0.851 143 E CB 0.691 30.432 29.700 0.069 0.000 1.066 143 E HN 0.477 8.862 8.360 0.042 0.000 0.396 144 A N 8.125 131.018 122.820 0.121 0.000 2.070 144 A HA -0.191 nan 4.320 nan 0.000 0.220 144 A C 0.934 178.620 177.584 0.169 0.000 1.159 144 A CA 2.542 54.669 52.037 0.149 0.000 0.656 144 A CB -0.469 18.645 19.000 0.189 0.000 0.800 144 A HN 0.815 8.933 8.150 0.109 0.097 0.453 145 E N -2.101 118.231 120.200 0.219 0.000 2.233 145 E HA -0.241 nan 4.350 nan 0.000 0.199 145 E C 0.039 176.722 176.600 0.139 0.000 1.004 145 E CA 1.101 57.638 56.400 0.228 0.000 0.819 145 E CB 0.134 30.003 29.700 0.283 0.000 0.738 145 E HN 0.096 8.556 8.360 0.235 0.041 0.478 146 E N -3.429 116.830 120.200 0.099 0.000 6.574 146 E HA -0.289 nan 4.350 nan 0.000 0.171 146 E C -1.078 175.542 176.600 0.033 0.000 1.464 146 E CA 0.845 57.279 56.400 0.056 0.000 2.498 146 E CB -0.036 29.686 29.700 0.037 0.000 1.837 146 E HN -0.246 8.138 8.360 0.106 0.039 0.466 147 T N -0.341 114.216 114.554 0.004 0.000 3.172 147 T HA 0.581 nan 4.350 nan 0.000 0.320 147 T C -1.065 173.610 174.700 -0.041 0.000 1.085 147 T CA 0.044 62.134 62.100 -0.016 0.000 1.052 147 T CB 2.004 70.867 68.868 -0.009 0.000 1.107 147 T HN 0.476 8.715 8.240 -0.001 0.000 0.458 148 G N 2.224 110.979 108.800 -0.075 0.000 2.608 148 G HA2 0.411 nan 3.960 nan 0.000 0.291 148 G HA3 0.411 nan 3.960 nan 0.000 0.291 148 G C -2.317 172.510 174.900 -0.122 0.000 1.425 148 G CA -0.464 44.579 45.100 -0.094 0.000 0.787 148 G HN 0.333 8.571 8.290 -0.086 0.000 0.484 149 N N 0.045 118.682 118.700 -0.106 0.000 2.455 149 N HA 0.184 nan 4.740 nan 0.000 0.280 149 N C -0.092 175.329 175.510 -0.148 0.000 1.055 149 N CA -0.443 52.546 53.050 -0.102 0.000 0.961 149 N CB 1.439 39.890 38.487 -0.059 0.000 1.121 149 N HN -0.046 8.282 8.380 -0.087 0.000 0.476 150 I N 5.740 126.212 120.570 -0.163 0.000 3.261 150 I HA 0.055 nan 4.170 nan 0.000 0.341 150 I C -0.200 175.854 176.117 -0.104 0.000 1.355 150 I CA -0.336 60.815 61.300 -0.249 0.000 1.070 150 I CB -0.600 37.233 38.000 -0.279 0.000 1.742 150 I HN 0.469 8.609 8.210 -0.115 0.000 0.498 151 L N 0.999 122.189 121.223 -0.056 0.000 2.141 151 L HA -0.189 nan 4.340 nan 0.000 0.209 151 L C 0.507 177.394 176.870 0.028 0.000 1.094 151 L CA 1.630 56.465 54.840 -0.009 0.000 0.763 151 L CB -0.472 41.587 42.059 0.001 0.000 0.908 151 L HN -0.335 7.817 8.230 -0.066 0.038 0.437 152 D N -1.714 118.724 120.400 0.063 0.000 2.210 152 D HA 0.269 nan 4.640 nan 0.000 0.249 152 D C -0.818 175.562 176.300 0.134 0.000 1.078 152 D CA -2.628 51.432 54.000 0.100 0.000 0.875 152 D CB 1.164 42.045 40.800 0.135 0.000 1.175 152 D HN -0.585 7.821 8.370 0.061 0.000 0.440 153 P HA -0.082 nan 4.420 nan 0.000 0.226 153 P C 0.517 177.891 177.300 0.122 0.000 1.153 153 P CA 1.301 64.464 63.100 0.105 0.000 0.777 153 P CB 0.311 32.048 31.700 0.062 0.000 0.794 154 E N -0.506 119.775 120.200 0.134 0.000 2.265 154 E HA -0.276 nan 4.350 nan 0.000 0.196 154 E C 1.489 178.170 176.600 0.134 0.000 0.996 154 E CA 2.242 58.716 56.400 0.124 0.000 0.832 154 E CB -0.617 29.175 29.700 0.153 0.000 0.756 154 E HN -0.278 8.421 8.360 0.135 -0.258 0.491 155 Y N 0.470 120.823 120.300 0.088 0.000 2.256 155 Y HA -0.372 nan 4.550 nan 0.000 0.288 155 Y C 1.700 177.650 175.900 0.083 0.000 1.155 155 Y CA 3.281 61.439 58.100 0.096 0.000 1.203 155 Y CB 0.046 38.553 38.460 0.079 0.000 0.980 155 Y HN -0.492 7.829 8.280 0.308 0.144 0.530 156 K N -2.052 118.436 120.400 0.147 0.000 2.103 156 K HA -0.334 nan 4.320 nan 0.000 0.207 156 K C 2.274 178.880 176.600 0.010 0.000 1.048 156 K CA 2.296 58.656 56.287 0.122 0.000 0.930 156 K CB -0.832 31.738 32.500 0.115 0.000 0.716 156 K HN -0.246 7.966 8.250 0.194 0.154 0.444 157 L N -2.083 119.053 121.223 -0.146 0.000 2.376 157 L HA -0.158 nan 4.340 nan 0.000 0.219 157 L C 1.377 177.968 176.870 -0.465 0.000 1.133 157 L CA 1.449 56.059 54.840 -0.383 0.000 0.816 157 L CB -0.792 41.133 42.059 -0.224 0.000 0.933 157 L HN -0.465 7.587 8.230 -0.072 0.136 0.449 158 S N 0.931 116.431 115.700 -0.334 0.000 2.402 158 S HA -0.422 nan 4.470 nan 0.000 0.233 158 S C 2.014 176.504 174.600 -0.182 0.000 1.030 158 S CA 3.244 61.278 58.200 -0.276 0.000 1.003 158 S CB -0.292 62.602 63.200 -0.511 0.000 0.813 158 S HN 0.057 7.977 8.310 -0.339 0.186 0.477 159 Y N -0.796 119.485 120.300 -0.033 0.000 2.181 159 Y HA -0.354 nan 4.550 nan 0.000 0.288 159 Y C 1.033 176.997 175.900 0.107 0.000 1.146 159 Y CA 1.790 59.919 58.100 0.049 0.000 1.164 159 Y CB -0.975 37.524 38.460 0.064 0.000 0.982 159 Y HN -0.767 7.398 8.280 -0.156 0.022 0.515 160 F N 0.287 119.852 119.950 -0.641 0.000 2.098 160 F HA -0.241 nan 4.527 nan 0.000 0.294 160 F C 2.351 178.084 175.800 -0.112 0.000 1.107 160 F CA 2.840 60.690 58.000 -0.251 0.000 1.234 160 F CB 0.625 39.417 39.000 -0.348 0.000 1.002 160 F HN -0.344 7.111 8.300 -1.238 0.102 0.472 161 R N -1.624 118.947 120.500 0.117 0.000 2.075 161 R HA -0.268 nan 4.340 nan 0.000 0.232 161 R C 1.842 178.086 176.300 -0.093 0.000 1.126 161 R CA 2.809 58.965 56.100 0.093 0.000 0.963 161 R CB -0.123 30.230 30.300 0.089 0.000 0.858 161 R HN -0.217 8.085 8.270 0.053 0.000 0.435 162 E N -3.777 116.378 120.200 -0.076 0.000 2.427 162 E HA -0.023 nan 4.350 nan 0.000 0.196 162 E C -0.529 176.024 176.600 -0.078 0.000 1.028 162 E CA 0.340 56.705 56.400 -0.059 0.000 0.864 162 E CB 0.344 30.041 29.700 -0.004 0.000 0.813 162 E HN -0.373 7.833 8.360 -0.065 0.115 0.514 163 D N 0.442 120.778 120.400 -0.107 0.000 2.525 163 D HA -0.152 nan 4.640 nan 0.000 0.235 163 D C 0.578 176.825 176.300 -0.088 0.000 1.137 163 D CA 0.818 54.771 54.000 -0.078 0.000 0.868 163 D CB 0.911 41.660 40.800 -0.085 0.000 1.180 163 D HN -0.909 7.204 8.370 -0.149 0.167 0.465 164 I N 6.211 126.739 120.570 -0.070 0.000 2.252 164 I HA -0.224 nan 4.170 nan 0.000 0.245 164 I C 1.054 177.222 176.117 0.086 0.000 1.102 164 I CA 2.948 64.286 61.300 0.063 0.000 1.385 164 I CB 0.503 38.409 38.000 -0.158 0.000 1.064 164 I HN 0.423 8.549 8.210 -0.140 0.000 0.414 165 G N -0.888 107.914 108.800 0.004 0.000 2.418 165 G HA2 -0.283 nan 3.960 nan 0.000 0.217 165 G HA3 -0.283 nan 3.960 nan 0.000 0.217 165 G C 1.392 176.213 174.900 -0.132 0.000 1.158 165 G CA 2.246 47.336 45.100 -0.017 0.000 0.771 165 G HN -0.228 8.264 8.290 0.009 -0.197 0.545 166 I N 2.161 122.544 120.570 -0.312 0.000 2.179 166 I HA -0.460 nan 4.170 nan 0.000 0.242 166 I C 1.772 177.779 176.117 -0.183 0.000 1.088 166 I CA 2.660 63.649 61.300 -0.518 0.000 1.357 166 I CB -1.036 36.556 38.000 -0.680 0.000 1.051 166 I HN -0.363 7.939 8.210 -0.270 -0.254 0.409 167 N N -0.078 118.575 118.700 -0.078 0.000 2.120 167 N HA -0.293 nan 4.740 nan 0.000 0.188 167 N C 2.200 177.825 175.510 0.191 0.000 1.024 167 N CA 3.470 56.528 53.050 0.013 0.000 0.852 167 N CB -0.359 38.063 38.487 -0.108 0.000 1.003 167 N HN -0.592 7.721 8.380 -0.113 0.000 0.424 168 A N -0.002 122.979 122.820 0.268 0.000 1.902 168 A HA -0.271 nan 4.320 nan 0.000 0.217 168 A C 1.840 179.595 177.584 0.285 0.000 1.181 168 A CA 3.064 55.260 52.037 0.265 0.000 0.623 168 A CB -0.731 18.431 19.000 0.270 0.000 0.818 168 A HN -0.150 8.040 8.150 0.236 0.102 0.443 169 H N 0.183 119.402 119.070 0.247 0.000 2.321 169 H HA -0.404 nan 4.556 nan 0.000 0.300 169 H C 1.801 177.370 175.328 0.400 0.000 1.087 169 H CA 3.993 60.247 56.048 0.343 0.000 1.319 169 H CB 0.090 29.942 29.762 0.149 0.000 1.379 169 H HN -0.090 8.367 8.280 0.295 0.000 0.501 170 H N -0.403 118.810 119.070 0.238 0.000 2.387 170 H HA -0.364 nan 4.556 nan 0.000 0.299 170 H C 2.553 178.100 175.328 0.365 0.000 1.090 170 H CA 3.195 59.389 56.048 0.244 0.000 1.332 170 H CB 0.347 30.231 29.762 0.203 0.000 1.386 170 H HN -0.452 8.079 8.280 0.418 0.000 0.516 171 W N 0.391 121.747 121.300 0.094 0.000 2.355 171 W HA -0.414 nan 4.660 nan 0.000 0.309 171 W C 1.609 178.107 176.519 -0.036 0.000 1.206 171 W CA 4.131 61.466 57.345 -0.016 0.000 1.284 171 W CB -0.327 29.040 29.460 -0.155 0.000 1.145 171 W HN -0.202 8.240 8.180 0.436 0.000 0.502 172 H N -2.495 116.768 119.070 0.322 0.000 2.353 172 H HA -0.363 nan 4.556 nan 0.000 0.300 172 H C 2.211 177.552 175.328 0.023 0.000 1.090 172 H CA 4.236 60.380 56.048 0.161 0.000 1.327 172 H CB -0.264 29.600 29.762 0.171 0.000 1.383 172 H HN -0.308 7.971 8.280 0.123 0.074 0.508 173 W N 0.292 121.541 121.300 -0.085 0.000 2.358 173 W HA -0.455 nan 4.660 nan 0.000 0.303 173 W C 1.779 178.269 176.519 -0.049 0.000 1.208 173 W CA 4.915 62.193 57.345 -0.112 0.000 1.274 173 W CB -0.123 29.171 29.460 -0.277 0.000 1.138 173 W HN 0.530 8.803 8.180 0.155 0.000 0.515 174 H N -2.998 116.248 119.070 0.293 0.000 2.421 174 H HA -0.313 nan 4.556 nan 0.000 0.298 174 H C 2.523 177.828 175.328 -0.038 0.000 1.087 174 H CA 4.293 60.468 56.048 0.211 0.000 1.330 174 H CB -0.169 29.649 29.762 0.094 0.000 1.388 174 H HN -0.647 7.811 8.280 0.296 0.000 0.526 175 I N -0.723 119.776 120.570 -0.117 0.000 2.252 175 I HA -0.318 nan 4.170 nan 0.000 0.245 175 I C 1.636 177.702 176.117 -0.084 0.000 1.102 175 I CA 2.737 63.931 61.300 -0.176 0.000 1.385 175 I CB -0.193 37.673 38.000 -0.223 0.000 1.064 175 I HN -0.711 7.287 8.210 -0.141 0.127 0.414 176 V N -4.415 115.370 119.914 -0.216 0.000 2.427 176 V HA -0.219 nan 4.120 nan 0.000 0.248 176 V C 0.187 175.841 176.094 -0.734 0.000 1.051 176 V CA 2.883 64.928 62.300 -0.425 0.000 1.048 176 V CB 0.041 31.550 31.823 -0.525 0.000 0.666 176 V HN -0.539 7.454 8.190 -0.191 0.083 0.456 177 Y N -1.797 118.160 120.300 -0.572 0.000 2.842 177 Y HA 0.443 nan 4.550 nan 0.000 0.334 177 Y C -2.343 173.411 175.900 -0.244 0.000 1.019 177 Y CA -3.155 54.610 58.100 -0.558 0.000 1.258 177 Y CB 0.026 37.972 38.460 -0.857 0.000 1.106 177 Y HN -0.291 7.679 8.280 -0.516 0.000 0.545 178 P HA 0.090 nan 4.420 nan 0.000 0.278 178 P C -0.227 177.186 177.300 0.189 0.000 1.238 178 P CA -0.741 62.467 63.100 0.179 0.000 0.794 178 P CB 0.519 32.319 31.700 0.166 0.000 0.955 179 A N 3.734 126.669 122.820 0.192 0.000 1.930 179 A HA -0.182 nan 4.320 nan 0.000 0.217 179 A C 0.999 178.650 177.584 0.113 0.000 1.175 179 A CA 2.959 55.079 52.037 0.137 0.000 0.627 179 A CB -0.338 18.722 19.000 0.099 0.000 0.815 179 A HN 0.449 8.730 8.150 0.219 0.000 0.443 180 T N -6.556 108.063 114.554 0.108 0.000 3.035 180 T HA -0.196 nan 4.350 nan 0.000 0.268 180 T C 0.885 175.622 174.700 0.062 0.000 1.109 180 T CA 0.154 62.304 62.100 0.083 0.000 1.119 180 T CB -0.470 68.476 68.868 0.130 0.000 0.900 180 T HN -0.107 8.174 8.240 0.119 0.031 0.503 181 W N 3.606 124.833 121.300 -0.122 0.000 2.513 181 W HA -0.392 nan 4.660 nan 0.000 0.339 181 W C -2.021 174.421 176.519 -0.129 0.000 1.257 181 W CA 1.162 58.395 57.345 -0.187 0.000 1.280 181 W CB -0.130 29.221 29.460 -0.181 0.000 1.214 181 W HN -0.808 7.332 8.180 0.236 0.181 0.567 182 N N 7.624 125.975 118.700 -0.582 0.000 2.479 182 N HA 0.310 nan 4.740 nan 0.000 0.261 182 N C -1.617 173.516 175.510 -0.628 0.000 0.979 182 N CA -3.170 49.638 53.050 -0.403 0.000 0.930 182 N CB 1.992 40.306 38.487 -0.287 0.000 1.172 182 N HN -0.058 7.794 8.380 -0.879 0.000 0.499 183 P HA -0.057 nan 4.420 nan 0.000 0.221 183 P C 0.855 178.053 177.300 -0.171 0.000 1.150 183 P CA 1.752 64.755 63.100 -0.161 0.000 0.800 183 P CB 0.453 32.231 31.700 0.129 0.000 0.787 184 T N -4.958 109.508 114.554 -0.146 0.000 2.737 184 T HA -0.237 nan 4.350 nan 0.000 0.265 184 T C 1.549 176.157 174.700 -0.154 0.000 1.038 184 T CA 3.033 65.067 62.100 -0.109 0.000 1.144 184 T CB -0.526 68.296 68.868 -0.078 0.000 0.866 184 T HN 0.336 8.777 8.240 -0.140 -0.285 0.434 185 V N 1.478 121.257 119.914 -0.225 0.000 2.261 185 V HA -0.282 nan 4.120 nan 0.000 0.246 185 V C 1.944 177.867 176.094 -0.285 0.000 1.047 185 V CA 2.791 64.954 62.300 -0.230 0.000 1.015 185 V CB -0.240 31.427 31.823 -0.261 0.000 0.642 185 V HN -0.491 7.759 8.190 -0.241 -0.204 0.446 186 M N -2.423 116.890 119.600 -0.478 0.000 2.132 186 M HA -0.151 nan 4.480 nan 0.000 0.263 186 M C 1.438 177.601 176.300 -0.228 0.000 1.065 186 M CA 1.410 56.413 55.300 -0.496 0.000 1.122 186 M CB 0.369 32.453 32.600 -0.859 0.000 1.365 186 M HN -0.310 7.613 8.290 -0.612 0.000 0.411 187 G N -3.191 105.508 108.800 -0.168 0.000 2.345 187 G HA2 -0.397 nan 3.960 nan 0.000 0.218 187 G HA3 -0.397 nan 3.960 nan 0.000 0.218 187 G C -1.639 173.265 174.900 0.007 0.000 1.058 187 G CA 0.375 45.440 45.100 -0.060 0.000 0.632 187 G HN 0.132 8.085 8.290 -0.225 0.202 0.508 188 K N 0.817 121.248 120.400 0.051 0.000 2.087 188 K HA 0.164 nan 4.320 nan 0.000 0.255 188 K C -1.316 175.468 176.600 0.308 0.000 0.988 188 K CA -1.304 55.079 56.287 0.160 0.000 0.915 188 K CB 1.017 33.635 32.500 0.196 0.000 1.043 188 K HN -0.291 7.857 8.250 -0.005 0.098 0.457 189 E N -0.917 119.434 120.200 0.252 0.000 2.277 189 E HA 0.159 nan 4.350 nan 0.000 0.266 189 E C -0.911 175.735 176.600 0.077 0.000 0.901 189 E CA -2.089 54.482 56.400 0.284 0.000 0.782 189 E CB 2.111 31.920 29.700 0.181 0.000 1.228 189 E HN 0.066 8.524 8.360 0.163 0.000 0.424 190 K N 1.259 121.589 120.400 -0.117 0.000 2.262 190 K HA 0.133 nan 4.320 nan 0.000 0.282 190 K C -0.604 176.005 176.600 0.014 0.000 1.066 190 K CA -1.454 54.704 56.287 -0.215 0.000 0.901 190 K CB 0.199 32.424 32.500 -0.460 0.000 1.089 190 K HN 0.382 8.586 8.250 -0.076 0.000 0.476 191 D N 4.256 124.699 120.400 0.072 0.000 2.425 191 D HA -0.082 nan 4.640 nan 0.000 0.247 191 D C 0.019 176.389 176.300 0.117 0.000 1.147 191 D CA 1.086 55.148 54.000 0.102 0.000 0.879 191 D CB 0.354 41.222 40.800 0.114 0.000 1.179 191 D HN 0.125 8.526 8.370 0.051 0.000 0.456 192 R N -0.345 120.205 120.500 0.083 0.000 3.416 192 R HA -0.501 nan 4.340 nan 0.000 0.263 192 R C 0.681 176.997 176.300 0.027 0.000 1.053 192 R CA 0.937 57.067 56.100 0.050 0.000 0.705 192 R CB -2.157 28.146 30.300 0.006 0.000 1.124 192 R HN 0.703 9.024 8.270 0.084 0.000 0.444 193 K N -1.273 119.160 120.400 0.054 0.000 2.097 193 K HA -0.222 nan 4.320 nan 0.000 0.205 193 K C 1.681 178.326 176.600 0.076 0.000 1.050 193 K CA 2.774 59.063 56.287 0.002 0.000 0.938 193 K CB -0.644 31.939 32.500 0.138 0.000 0.718 193 K HN -0.461 7.836 8.250 0.078 0.000 0.442 194 G N -0.447 108.420 108.800 0.112 0.000 2.418 194 G HA2 -0.303 nan 3.960 nan 0.000 0.217 194 G HA3 -0.303 nan 3.960 nan 0.000 0.217 194 G C 0.723 175.758 174.900 0.226 0.000 1.158 194 G CA 1.869 47.068 45.100 0.165 0.000 0.771 194 G HN -0.077 8.426 8.290 0.089 -0.160 0.545 195 E N 2.217 122.502 120.200 0.141 0.000 2.106 195 E HA -0.224 nan 4.350 nan 0.000 0.192 195 E C 1.895 178.604 176.600 0.181 0.000 0.984 195 E CA 2.235 58.721 56.400 0.144 0.000 0.806 195 E CB 0.019 29.747 29.700 0.046 0.000 0.750 195 E HN -0.657 8.026 8.360 0.095 -0.266 0.458 196 L N 0.015 121.297 121.223 0.098 0.000 2.083 196 L HA -0.333 nan 4.340 nan 0.000 0.209 196 L C 1.254 178.272 176.870 0.246 0.000 1.083 196 L CA 3.152 58.056 54.840 0.108 0.000 0.752 196 L CB -0.282 41.717 42.059 -0.099 0.000 0.899 196 L HN -0.009 8.174 8.230 0.038 0.070 0.433 197 F N 0.693 120.770 119.950 0.211 0.000 2.095 197 F HA -0.482 nan 4.527 nan 0.000 0.298 197 F C 1.162 176.973 175.800 0.018 0.000 1.104 197 F CA 4.143 62.269 58.000 0.211 0.000 1.232 197 F CB -0.071 39.061 39.000 0.221 0.000 0.987 197 F HN 0.163 8.616 8.300 0.412 0.094 0.475 198 F N 0.269 120.124 119.950 -0.158 0.000 2.102 198 F HA -0.484 nan 4.527 nan 0.000 0.298 198 F C 0.804 176.356 175.800 -0.415 0.000 1.105 198 F CA 3.736 61.373 58.000 -0.606 0.000 1.239 198 F CB -0.092 38.446 39.000 -0.771 0.000 0.991 198 F HN -0.452 7.979 8.300 0.346 0.076 0.474 199 Y N -0.110 119.846 120.300 -0.573 0.000 2.163 199 Y HA -0.530 nan 4.550 nan 0.000 0.288 199 Y C 1.514 177.057 175.900 -0.594 0.000 1.136 199 Y CA 3.805 61.542 58.100 -0.605 0.000 1.147 199 Y CB 0.113 38.466 38.460 -0.178 0.000 0.987 199 Y HN 0.090 8.346 8.280 0.086 0.076 0.509 200 M N -0.746 118.532 119.600 -0.536 0.000 2.086 200 M HA -0.469 nan 4.480 nan 0.000 0.261 200 M C 1.908 177.676 176.300 -0.888 0.000 1.067 200 M CA 2.734 57.577 55.300 -0.762 0.000 1.116 200 M CB -0.413 31.596 32.600 -0.984 0.000 1.348 200 M HN 0.327 8.445 8.290 -0.287 0.000 0.407 201 H N -1.636 116.940 119.070 -0.824 0.000 2.389 201 H HA -0.265 nan 4.556 nan 0.000 0.299 201 H C 2.504 177.524 175.328 -0.512 0.000 1.081 201 H CA 4.619 60.318 56.048 -0.581 0.000 1.345 201 H CB -0.336 29.107 29.762 -0.532 0.000 1.393 201 H HN -0.497 7.350 8.280 -0.721 0.000 0.520 202 Q N -0.566 118.845 119.800 -0.649 0.000 2.084 202 Q HA -0.354 nan 4.340 nan 0.000 0.202 202 Q C 2.391 178.077 176.000 -0.523 0.000 0.978 202 Q CA 3.327 58.770 55.803 -0.601 0.000 0.844 202 Q CB -0.349 27.824 28.738 -0.942 0.000 0.898 202 Q HN -0.196 7.446 8.270 -0.879 0.101 0.426 203 Q N -0.683 118.658 119.800 -0.766 0.000 2.124 203 Q HA -0.272 nan 4.340 nan 0.000 0.202 203 Q C 2.640 178.315 176.000 -0.541 0.000 0.977 203 Q CA 2.700 58.059 55.803 -0.739 0.000 0.850 203 Q CB -0.314 27.730 28.738 -1.157 0.000 0.901 203 Q HN 0.020 7.693 8.270 -0.995 0.000 0.429 204 M N -0.081 119.242 119.600 -0.463 0.000 2.117 204 M HA -0.394 nan 4.480 nan 0.000 0.262 204 M C 2.303 178.652 176.300 0.082 0.000 1.065 204 M CA 4.387 59.611 55.300 -0.127 0.000 1.114 204 M CB -0.081 32.522 32.600 0.005 0.000 1.361 204 M HN -0.140 7.736 8.290 -0.570 0.072 0.408 205 C N -0.999 118.333 119.300 0.053 0.000 2.446 205 C HA -0.343 nan 4.460 nan 0.000 0.277 205 C C 1.829 176.846 174.990 0.045 0.000 1.275 205 C CA 4.048 63.164 59.018 0.164 0.000 1.727 205 C CB -2.107 25.706 27.740 0.121 0.000 2.010 205 C HN -0.108 8.091 8.230 -0.052 0.000 0.486 206 A N -0.038 122.734 122.820 -0.080 0.000 1.902 206 A HA -0.340 nan 4.320 nan 0.000 0.217 206 A C 1.935 179.451 177.584 -0.113 0.000 1.181 206 A CA 3.371 55.346 52.037 -0.104 0.000 0.623 206 A CB -0.953 17.963 19.000 -0.139 0.000 0.818 206 A HN 0.574 8.466 8.150 -0.146 0.171 0.443 207 R N -1.964 118.460 120.500 -0.126 0.000 2.096 207 R HA -0.353 nan 4.340 nan 0.000 0.235 207 R C 2.270 178.409 176.300 -0.269 0.000 1.127 207 R CA 3.168 59.200 56.100 -0.112 0.000 0.968 207 R CB -0.047 30.261 30.300 0.013 0.000 0.861 207 R HN 0.229 8.293 8.270 -0.151 0.116 0.440 208 Y N 1.057 121.071 120.300 -0.476 0.000 2.181 208 Y HA -0.426 nan 4.550 nan 0.000 0.288 208 Y C 1.376 176.962 175.900 -0.524 0.000 1.146 208 Y CA 3.246 60.861 58.100 -0.808 0.000 1.164 208 Y CB -0.094 37.870 38.460 -0.827 0.000 0.982 208 Y HN -0.098 8.064 8.280 -0.059 0.082 0.515 209 D N -1.687 118.541 120.400 -0.287 0.000 2.178 209 D HA -0.341 nan 4.640 nan 0.000 0.201 209 D C 2.620 178.759 176.300 -0.269 0.000 0.980 209 D CA 3.334 57.175 54.000 -0.265 0.000 0.842 209 D CB -0.833 39.895 40.800 -0.119 0.000 0.948 209 D HN 0.192 8.431 8.370 -0.105 0.068 0.472 210 S N -1.242 114.334 115.700 -0.206 0.000 2.423 210 S HA -0.245 nan 4.470 nan 0.000 0.231 210 S C 1.922 176.462 174.600 -0.100 0.000 1.014 210 S CA 3.438 61.593 58.200 -0.076 0.000 0.965 210 S CB -0.240 62.962 63.200 0.004 0.000 0.785 210 S HN -0.301 7.801 8.310 -0.199 0.089 0.495 211 E N 1.457 121.483 120.200 -0.289 0.000 2.072 211 E HA -0.259 nan 4.350 nan 0.000 0.191 211 E C 2.604 179.041 176.600 -0.271 0.000 0.985 211 E CA 2.828 59.074 56.400 -0.256 0.000 0.801 211 E CB -0.455 28.949 29.700 -0.494 0.000 0.750 211 E HN -0.508 7.453 8.360 -0.445 0.132 0.452 212 R N -0.584 119.643 120.500 -0.455 0.000 2.081 212 R HA -0.280 nan 4.340 nan 0.000 0.235 212 R C 2.729 178.924 176.300 -0.175 0.000 1.131 212 R CA 3.314 59.206 56.100 -0.345 0.000 0.960 212 R CB -0.134 29.938 30.300 -0.380 0.000 0.856 212 R HN -0.459 7.352 8.270 -0.639 0.076 0.436 213 L N -1.176 119.961 121.223 -0.142 0.000 2.083 213 L HA -0.269 nan 4.340 nan 0.000 0.209 213 L C 2.733 179.577 176.870 -0.043 0.000 1.083 213 L CA 3.118 57.907 54.840 -0.085 0.000 0.752 213 L CB -0.573 41.437 42.059 -0.082 0.000 0.899 213 L HN -0.046 8.078 8.230 -0.177 0.000 0.433 214 S N 0.606 116.315 115.700 0.015 0.000 2.382 214 S HA -0.379 nan 4.470 nan 0.000 0.228 214 S C 1.633 176.242 174.600 0.015 0.000 1.027 214 S CA 3.960 62.205 58.200 0.075 0.000 0.991 214 S CB -0.429 62.852 63.200 0.134 0.000 0.823 214 S HN -0.018 8.187 8.310 -0.002 0.104 0.469 215 N N -2.109 116.582 118.700 -0.014 0.000 2.331 215 N HA -0.233 nan 4.740 nan 0.000 0.180 215 N C 0.309 175.800 175.510 -0.032 0.000 1.019 215 N CA 1.402 54.441 53.050 -0.019 0.000 0.881 215 N CB 0.296 38.762 38.487 -0.036 0.000 0.972 215 N HN -0.230 8.024 8.380 -0.036 0.104 0.435 216 G N -2.953 105.818 108.800 -0.048 0.000 2.144 216 G HA2 -0.281 nan 3.960 nan 0.000 0.218 216 G HA3 -0.281 nan 3.960 nan 0.000 0.218 216 G C -0.627 174.243 174.900 -0.049 0.000 0.988 216 G CA -0.145 44.925 45.100 -0.051 0.000 0.659 216 G HN -0.361 7.709 8.290 -0.055 0.187 0.522 217 L N -0.791 120.395 121.223 -0.063 0.000 2.375 217 L HA 0.184 nan 4.340 nan 0.000 0.268 217 L C -0.889 175.940 176.870 -0.068 0.000 1.058 217 L CA -1.055 53.749 54.840 -0.061 0.000 0.803 217 L CB 1.524 43.538 42.059 -0.075 0.000 1.212 217 L HN 0.039 8.084 8.230 -0.075 0.139 0.451 218 Q N -2.337 117.434 119.800 -0.049 0.000 2.318 218 Q HA 0.091 nan 4.340 nan 0.000 0.222 218 Q C -0.349 175.619 176.000 -0.053 0.000 1.003 218 Q CA -0.709 55.067 55.803 -0.045 0.000 0.936 218 Q CB 1.391 30.114 28.738 -0.025 0.000 1.204 218 Q HN -0.041 8.208 8.270 -0.035 0.000 0.524 219 R N -0.797 119.674 120.500 -0.047 0.000 2.641 219 R HA -0.066 nan 4.340 nan 0.000 0.269 219 R C 0.109 176.414 176.300 0.007 0.000 1.074 219 R CA 0.080 56.156 56.100 -0.041 0.000 1.133 219 R CB 0.601 30.877 30.300 -0.039 0.000 1.029 219 R HN -0.261 8.186 8.270 -0.046 -0.205 0.488 220 M N 1.506 121.139 119.600 0.055 0.000 2.248 220 M HA -0.068 nan 4.480 nan 0.000 0.337 220 M C 0.523 176.878 176.300 0.090 0.000 1.121 220 M CA 0.277 55.646 55.300 0.115 0.000 1.155 220 M CB 0.581 33.307 32.600 0.211 0.000 1.514 220 M HN 0.084 8.589 8.290 0.051 -0.184 0.452 221 I N 3.080 123.707 120.570 0.095 0.000 2.460 221 I HA 0.444 nan 4.170 nan 0.000 0.298 221 I C -1.638 174.550 176.117 0.118 0.000 0.989 221 I CA -3.458 57.891 61.300 0.082 0.000 1.173 221 I CB 1.731 39.769 38.000 0.063 0.000 1.338 221 I HN -0.041 8.233 8.210 0.108 0.000 0.456 222 P HA 0.002 nan 4.420 nan 0.000 0.270 222 P C -1.019 176.411 177.300 0.216 0.000 1.223 222 P CA -0.568 62.643 63.100 0.184 0.000 0.785 222 P CB 0.584 32.405 31.700 0.203 0.000 0.923 223 F N 3.453 123.408 119.950 0.009 0.000 2.666 223 F HA -0.042 nan 4.527 nan 0.000 0.362 223 F C -0.966 174.597 175.800 -0.394 0.000 1.190 223 F CA -1.693 56.200 58.000 -0.178 0.000 1.328 223 F CB -1.316 37.560 39.000 -0.207 0.000 1.682 223 F HN -0.121 8.269 8.300 0.279 0.078 0.623 224 H N 2.881 121.799 119.070 -0.254 0.000 2.357 224 H HA -0.183 nan 4.556 nan 0.000 0.301 224 H C -0.667 174.458 175.328 -0.339 0.000 1.082 224 H CA 3.011 59.007 56.048 -0.088 0.000 1.342 224 H CB 0.595 30.375 29.762 0.030 0.000 1.389 224 H HN -0.282 7.960 8.280 0.056 0.071 0.511 225 N N -2.756 115.649 118.700 -0.491 0.000 2.399 225 N HA -0.030 nan 4.740 nan 0.000 0.295 225 N C -0.069 174.904 175.510 -0.896 0.000 1.048 225 N CA -1.026 51.765 53.050 -0.431 0.000 0.886 225 N CB 0.888 39.261 38.487 -0.191 0.000 1.185 225 N HN -0.392 7.682 8.380 -0.511 0.000 0.487 226 F N 2.379 121.979 119.950 -0.584 0.000 2.512 226 F HA -0.031 nan 4.527 nan 0.000 0.296 226 F C 0.616 176.278 175.800 -0.230 0.000 1.110 226 F CA 2.549 60.270 58.000 -0.465 0.000 1.446 226 F CB 0.495 39.387 39.000 -0.180 0.000 1.092 226 F HN 0.428 8.763 8.300 0.059 0.000 0.554 227 D N -2.189 118.192 120.400 -0.033 0.000 2.144 227 D HA -0.210 nan 4.640 nan 0.000 0.199 227 D C 0.987 177.278 176.300 -0.014 0.000 0.984 227 D CA 2.570 56.564 54.000 -0.009 0.000 0.834 227 D CB -0.001 40.790 40.800 -0.015 0.000 0.955 227 D HN -0.326 8.360 8.370 -0.033 -0.335 0.465 228 E N -0.663 119.486 120.200 -0.086 0.000 2.413 228 E HA 0.074 nan 4.350 nan 0.000 0.263 228 E C -1.636 175.025 176.600 0.102 0.000 1.015 228 E CA -0.849 55.544 56.400 -0.013 0.000 0.916 228 E CB -0.755 28.915 29.700 -0.050 0.000 0.947 228 E HN -0.603 7.599 8.360 -0.219 0.027 0.440 229 P HA 0.110 nan 4.420 nan 0.000 0.275 229 P C -1.472 175.869 177.300 0.069 0.000 1.228 229 P CA -0.063 63.063 63.100 0.045 0.000 0.786 229 P CB 0.545 32.238 31.700 -0.011 0.000 0.927 230 L N 1.355 122.581 121.223 0.005 0.000 2.399 230 L HA 0.174 nan 4.340 nan 0.000 0.265 230 L C -0.135 176.716 176.870 -0.033 0.000 1.089 230 L CA -0.571 54.258 54.840 -0.017 0.000 0.802 230 L CB 0.657 42.649 42.059 -0.113 0.000 1.180 230 L HN -0.184 8.012 8.230 -0.056 0.000 0.454 231 E N 0.046 120.245 120.200 -0.003 0.000 2.366 231 E HA 0.009 nan 4.350 nan 0.000 0.266 231 E C -0.062 176.549 176.600 0.018 0.000 1.051 231 E CA -0.082 56.328 56.400 0.016 0.000 0.884 231 E CB 0.673 30.404 29.700 0.052 0.000 1.006 231 E HN 0.056 8.416 8.360 0.000 0.000 0.417 232 G N -0.045 108.773 108.800 0.029 0.000 2.476 232 G HA2 0.159 nan 3.960 nan 0.000 0.286 232 G HA3 0.159 nan 3.960 nan 0.000 0.286 232 G C -2.089 172.899 174.900 0.147 0.000 1.177 232 G CA -0.413 44.714 45.100 0.044 0.000 0.870 232 G HN 0.030 8.336 8.290 0.026 0.000 0.528 233 Y N 1.491 121.789 120.300 -0.005 0.000 2.441 233 Y HA 0.083 nan 4.550 nan 0.000 0.334 233 Y C -2.282 173.620 175.900 0.004 0.000 1.061 233 Y CA -0.261 57.851 58.100 0.019 0.000 1.032 233 Y CB 3.675 42.148 38.460 0.021 0.000 1.266 233 Y HN 0.074 8.414 8.280 0.100 0.000 0.441 234 A N 7.969 130.328 122.820 -0.770 0.000 2.291 234 A HA 0.508 nan 4.320 nan 0.000 0.311 234 A C -1.785 175.304 177.584 -0.825 0.000 1.224 234 A CA -3.553 48.117 52.037 -0.612 0.000 0.821 234 A CB 0.660 19.356 19.000 -0.505 0.000 1.172 234 A HN 0.476 8.063 8.150 -0.939 0.000 0.494 235 P HA -0.113 nan 4.420 nan 0.000 0.220 235 P C -0.788 176.564 177.300 0.087 0.000 1.152 235 P CA 0.995 64.054 63.100 -0.067 0.000 0.812 235 P CB 0.352 32.124 31.700 0.120 0.000 0.792 236 H N -5.649 113.412 119.070 -0.015 0.000 2.756 236 H HA -0.321 nan 4.556 nan 0.000 0.315 236 H C -1.597 173.780 175.328 0.082 0.000 1.210 236 H CA 0.313 56.379 56.048 0.030 0.000 1.150 236 H CB -1.874 27.901 29.762 0.021 0.000 1.463 236 H HN 0.275 8.334 8.280 -0.368 0.000 0.427 237 L N -2.871 118.471 121.223 0.199 0.000 2.346 237 L HA 0.592 nan 4.340 nan 0.000 0.274 237 L C -0.503 176.500 176.870 0.221 0.000 1.007 237 L CA -0.847 54.136 54.840 0.239 0.000 0.818 237 L CB 2.392 44.658 42.059 0.345 0.000 1.284 237 L HN -0.322 8.011 8.230 0.171 0.000 0.424 238 T N -1.440 113.216 114.554 0.171 0.000 2.940 238 T HA 0.576 nan 4.350 nan 0.000 0.288 238 T C -0.471 174.280 174.700 0.086 0.000 1.033 238 T CA -2.248 59.913 62.100 0.102 0.000 1.033 238 T CB 2.189 71.109 68.868 0.087 0.000 1.079 238 T HN 0.322 8.668 8.240 0.176 0.000 0.496 239 S N 1.478 117.186 115.700 0.014 0.000 2.456 239 S HA 0.431 nan 4.470 nan 0.000 0.316 239 S C 1.507 176.138 174.600 0.051 0.000 1.089 239 S CA -1.917 56.295 58.200 0.021 0.000 1.101 239 S CB 1.297 64.455 63.200 -0.069 0.000 0.995 239 S HN 0.562 8.773 8.310 -0.007 0.095 0.468 240 L N 1.384 122.663 121.223 0.093 0.000 2.353 240 L HA -0.144 nan 4.340 nan 0.000 0.220 240 L C 0.347 177.262 176.870 0.075 0.000 1.133 240 L CA 2.403 57.293 54.840 0.084 0.000 0.798 240 L CB -0.571 41.546 42.059 0.097 0.000 0.922 240 L HN -0.153 8.359 8.230 0.128 -0.205 0.445 241 V N -6.865 113.099 119.914 0.084 0.000 2.358 241 V HA -0.127 nan 4.120 nan 0.000 0.246 241 V C 0.618 176.745 176.094 0.056 0.000 1.047 241 V CA 1.259 63.610 62.300 0.085 0.000 1.035 241 V CB -0.184 31.704 31.823 0.108 0.000 0.658 241 V HN -0.181 7.963 8.190 0.081 0.095 0.452 242 S N 1.011 116.735 115.700 0.040 0.000 2.921 242 S HA 0.281 nan 4.470 nan 0.000 0.315 242 S C 0.510 175.123 174.600 0.021 0.000 1.087 242 S CA -0.754 57.463 58.200 0.028 0.000 0.877 242 S CB 1.495 64.707 63.200 0.020 0.000 1.340 242 S HN -0.712 7.578 8.310 0.037 0.042 0.622 243 G N -0.067 108.741 108.800 0.015 0.000 3.337 243 G HA2 0.198 nan 3.960 nan 0.000 0.246 243 G HA3 0.198 nan 3.960 nan 0.000 0.246 243 G C -0.378 174.525 174.900 0.004 0.000 1.131 243 G CA 0.130 45.238 45.100 0.013 0.000 0.773 243 G HN 0.138 8.437 8.290 0.015 0.000 0.544 244 L N -1.141 120.076 121.223 -0.009 0.000 2.397 244 L HA 0.368 nan 4.340 nan 0.000 0.266 244 L C -1.573 175.263 176.870 -0.055 0.000 1.040 244 L CA -1.432 53.390 54.840 -0.030 0.000 0.800 244 L CB 2.481 44.516 42.059 -0.039 0.000 1.324 244 L HN -0.372 7.773 8.230 -0.007 0.080 0.469 245 Q N -3.622 116.132 119.800 -0.076 0.000 2.615 245 Q HA 0.331 nan 4.340 nan 0.000 0.298 245 Q C -1.671 174.250 176.000 -0.132 0.000 1.023 245 Q CA -2.049 53.703 55.803 -0.085 0.000 0.768 245 Q CB 3.229 31.974 28.738 0.012 0.000 1.500 245 Q HN -0.270 7.964 8.270 -0.060 0.000 0.441 246 Y N -0.388 119.927 120.300 0.025 0.000 2.442 246 Y HA -0.214 nan 4.550 nan 0.000 0.330 246 Y C -0.303 175.598 175.900 0.003 0.000 1.129 246 Y CA 0.757 58.873 58.100 0.027 0.000 1.365 246 Y CB 0.441 38.925 38.460 0.041 0.000 1.233 246 Y HN -0.443 7.933 8.280 0.158 0.000 0.529 247 A N 5.351 128.252 122.820 0.135 0.000 2.425 247 A HA 0.070 nan 4.320 nan 0.000 0.249 247 A C -1.281 176.334 177.584 0.051 0.000 1.084 247 A CA -0.256 51.815 52.037 0.056 0.000 0.781 247 A CB 0.798 19.817 19.000 0.031 0.000 1.019 247 A HN -0.230 8.000 8.150 0.133 0.000 0.490 248 S N 0.979 116.670 115.700 -0.016 0.000 2.645 248 S HA 0.307 nan 4.470 nan 0.000 0.266 248 S C -0.585 174.001 174.600 -0.023 0.000 1.258 248 S CA -0.674 57.497 58.200 -0.048 0.000 0.990 248 S CB 1.233 64.350 63.200 -0.138 0.000 0.967 248 S HN -0.036 8.251 8.310 -0.038 0.000 0.556 249 R N 0.484 120.975 120.500 -0.014 0.000 2.409 249 R HA 0.557 nan 4.340 nan 0.000 0.313 249 R C -2.327 173.956 176.300 -0.028 0.000 0.953 249 R CA -3.395 52.699 56.100 -0.011 0.000 0.849 249 R CB 2.409 32.714 30.300 0.008 0.000 1.171 249 R HN 0.268 8.526 8.270 -0.019 0.000 0.458 250 P HA 0.068 nan 4.420 nan 0.000 0.282 250 P C -0.778 176.451 177.300 -0.118 0.000 1.249 250 P CA -0.556 62.511 63.100 -0.056 0.000 0.806 250 P CB 0.566 32.247 31.700 -0.032 0.000 0.984 251 E N 2.384 122.523 120.200 -0.101 0.000 2.409 251 E HA -0.105 nan 4.350 nan 0.000 0.257 251 E C -0.468 175.973 176.600 -0.266 0.000 1.150 251 E CA 0.294 56.608 56.400 -0.143 0.000 0.942 251 E CB -0.166 29.497 29.700 -0.062 0.000 0.979 251 E HN 0.175 8.502 8.360 -0.055 0.000 0.447 252 G N 1.925 110.521 108.800 -0.339 0.000 3.611 252 G HA2 -0.087 nan 3.960 nan 0.000 0.217 252 G HA3 -0.087 nan 3.960 nan 0.000 0.217 252 G C -1.798 172.925 174.900 -0.294 0.000 1.023 252 G CA 0.129 45.046 45.100 -0.305 0.000 0.887 252 G HN 0.067 8.185 8.290 -0.288 0.000 0.420 253 Y N -3.525 116.792 120.300 0.029 0.000 2.677 253 Y HA 0.464 nan 4.550 nan 0.000 0.334 253 Y C -1.349 174.538 175.900 -0.021 0.000 1.154 253 Y CA -3.525 54.584 58.100 0.015 0.000 1.070 253 Y CB 0.954 39.436 38.460 0.036 0.000 1.294 253 Y HN -0.642 6.911 8.280 -1.211 0.000 0.475 254 S N -0.611 115.098 115.700 0.015 0.000 2.745 254 S HA 0.290 nan 4.470 nan 0.000 0.292 254 S C -0.700 173.773 174.600 -0.213 0.000 1.127 254 S CA -2.201 55.966 58.200 -0.055 0.000 1.007 254 S CB 1.332 64.533 63.200 0.002 0.000 1.165 254 S HN -0.258 8.116 8.310 0.108 0.000 0.544 255 I N 1.285 121.813 120.570 -0.070 0.000 2.710 255 I HA -0.104 nan 4.170 nan 0.000 0.286 255 I C -1.610 174.433 176.117 -0.125 0.000 1.181 255 I CA 0.984 62.258 61.300 -0.043 0.000 1.430 255 I CB 0.504 38.589 38.000 0.141 0.000 1.367 255 I HN 0.507 8.754 8.210 0.061 0.000 0.577 256 H N 7.217 126.340 119.070 0.089 0.000 2.679 256 H HA 0.200 nan 4.556 nan 0.000 0.367 256 H C -1.695 173.656 175.328 0.038 0.000 1.162 256 H CA -1.572 54.517 56.048 0.069 0.000 1.181 256 H CB 2.486 32.300 29.762 0.087 0.000 1.693 256 H HN -0.013 8.344 8.280 0.128 0.000 0.538 257 D N 1.154 121.646 120.400 0.154 0.000 2.399 257 D HA 0.264 nan 4.640 nan 0.000 0.241 257 D C -0.788 175.551 176.300 0.065 0.000 1.133 257 D CA 0.621 54.651 54.000 0.050 0.000 0.890 257 D CB 0.720 41.522 40.800 0.002 0.000 1.201 257 D HN 0.131 8.607 8.370 0.178 0.000 0.432 258 L N 0.686 121.928 121.223 0.031 0.000 2.304 258 L HA 0.336 nan 4.340 nan 0.000 0.268 258 L C 0.140 177.024 176.870 0.022 0.000 1.010 258 L CA -1.366 53.509 54.840 0.059 0.000 0.813 258 L CB 2.428 44.550 42.059 0.105 0.000 1.315 258 L HN 0.653 8.873 8.230 -0.017 0.000 0.445 259 S N 0.454 116.180 115.700 0.044 0.000 2.368 259 S HA -0.257 nan 4.470 nan 0.000 0.225 259 S C 0.924 175.536 174.600 0.019 0.000 1.030 259 S CA 3.313 61.528 58.200 0.025 0.000 0.999 259 S CB 0.176 63.397 63.200 0.035 0.000 0.844 259 S HN 1.045 9.395 8.310 0.067 0.000 0.459 260 D N -1.724 118.717 120.400 0.069 0.000 2.117 260 D HA -0.047 nan 4.640 nan 0.000 0.198 260 D C -0.980 175.222 176.300 -0.164 0.000 0.982 260 D CA 1.743 55.799 54.000 0.094 0.000 0.828 260 D CB 0.541 41.602 40.800 0.435 0.000 0.967 260 D HN 0.135 8.573 8.370 0.110 -0.002 0.464 261 V N -3.077 116.671 119.914 -0.277 0.000 2.932 261 V HA 0.201 nan 4.120 nan 0.000 0.307 261 V C -2.208 173.710 176.094 -0.293 0.000 1.147 261 V CA -2.059 59.958 62.300 -0.471 0.000 0.951 261 V CB 3.712 34.929 31.823 -1.011 0.000 1.031 261 V HN -0.609 7.402 8.190 -0.137 0.097 0.426 262 D N 3.572 123.793 120.400 -0.299 0.000 2.308 262 D HA 0.161 nan 4.640 nan 0.000 0.251 262 D C 1.178 177.293 176.300 -0.309 0.000 1.127 262 D CA -0.050 53.801 54.000 -0.248 0.000 0.876 262 D CB 1.156 41.822 40.800 -0.223 0.000 1.176 262 D HN 0.005 8.179 8.370 -0.327 0.000 0.446 263 V N 2.658 122.444 119.914 -0.214 0.000 2.439 263 V HA -0.478 nan 4.120 nan 0.000 0.253 263 V C 1.561 177.411 176.094 -0.407 0.000 1.074 263 V CA 4.090 66.248 62.300 -0.238 0.000 1.076 263 V CB -0.886 30.873 31.823 -0.106 0.000 0.664 263 V HN 0.532 8.911 8.190 -0.138 -0.272 0.461 264 Q N -1.570 118.011 119.800 -0.365 0.000 2.297 264 Q HA -0.362 nan 4.340 nan 0.000 0.204 264 Q C 1.876 177.546 176.000 -0.550 0.000 0.962 264 Q CA 3.130 58.689 55.803 -0.406 0.000 0.879 264 Q CB -0.558 28.008 28.738 -0.286 0.000 0.947 264 Q HN 0.156 8.227 8.270 -0.286 0.028 0.462 265 D N 1.257 121.243 120.400 -0.691 0.000 2.123 265 D HA -0.278 nan 4.640 nan 0.000 0.196 265 D C 2.274 177.657 176.300 -1.528 0.000 0.992 265 D CA 3.279 56.564 54.000 -1.193 0.000 0.833 265 D CB -0.610 39.394 40.800 -1.328 0.000 0.954 265 D HN -0.276 7.822 8.370 -0.571 -0.070 0.455 266 M N -1.166 117.885 119.600 -0.915 0.000 2.080 266 M HA -0.317 nan 4.480 nan 0.000 0.260 266 M C 2.365 178.377 176.300 -0.480 0.000 1.068 266 M CA 3.025 58.090 55.300 -0.392 0.000 1.109 266 M CB -0.798 31.624 32.600 -0.296 0.000 1.342 266 M HN -0.719 7.112 8.290 -0.766 0.000 0.405 267 V N -0.754 118.750 119.914 -0.682 0.000 2.407 267 V HA -0.476 nan 4.120 nan 0.000 0.248 267 V C 2.395 178.295 176.094 -0.324 0.000 1.055 267 V CA 4.039 66.030 62.300 -0.515 0.000 1.049 267 V CB -1.389 30.157 31.823 -0.461 0.000 0.662 267 V HN 0.110 7.789 8.190 -0.714 0.083 0.455 268 R N -0.837 119.408 120.500 -0.425 0.000 2.080 268 R HA -0.352 nan 4.340 nan 0.000 0.236 268 R C 2.199 178.390 176.300 -0.182 0.000 1.137 268 R CA 3.675 59.559 56.100 -0.360 0.000 0.943 268 R CB -0.251 29.726 30.300 -0.539 0.000 0.846 268 R HN 0.145 7.883 8.270 -0.568 0.192 0.431 269 W N -2.024 119.199 121.300 -0.127 0.000 2.355 269 W HA -0.192 nan 4.660 nan 0.000 0.309 269 W C 2.239 178.764 176.519 0.011 0.000 1.206 269 W CA 1.608 58.910 57.345 -0.070 0.000 1.284 269 W CB -0.878 28.596 29.460 0.022 0.000 1.145 269 W HN 0.182 8.133 8.180 -0.380 0.000 0.502 270 R N -1.310 119.360 120.500 0.283 0.000 2.103 270 R HA -0.480 nan 4.340 nan 0.000 0.242 270 R C 1.838 178.214 176.300 0.127 0.000 1.142 270 R CA 3.778 60.022 56.100 0.240 0.000 0.960 270 R CB -0.359 30.135 30.300 0.324 0.000 0.858 270 R HN -0.315 8.111 8.270 0.259 0.000 0.439 271 E N -1.362 118.877 120.200 0.065 0.000 2.028 271 E HA -0.270 nan 4.350 nan 0.000 0.191 271 E C 2.627 179.254 176.600 0.045 0.000 0.988 271 E CA 2.624 59.042 56.400 0.029 0.000 0.799 271 E CB -0.579 29.112 29.700 -0.016 0.000 0.755 271 E HN -0.489 7.753 8.360 0.036 0.140 0.447 272 R N -0.827 119.687 120.500 0.024 0.000 2.096 272 R HA -0.336 nan 4.340 nan 0.000 0.240 272 R C 2.704 179.144 176.300 0.234 0.000 1.139 272 R CA 3.330 59.463 56.100 0.055 0.000 0.952 272 R CB -0.169 29.961 30.300 -0.285 0.000 0.854 272 R HN -0.295 7.964 8.270 -0.018 0.000 0.436 273 I N -0.701 120.007 120.570 0.230 0.000 2.202 273 I HA -0.463 nan 4.170 nan 0.000 0.242 273 I C 2.063 178.216 176.117 0.059 0.000 1.091 273 I CA 3.834 65.251 61.300 0.195 0.000 1.368 273 I CB -0.124 37.943 38.000 0.111 0.000 1.058 273 I HN 0.086 8.400 8.210 0.190 0.010 0.410 274 L N -1.705 119.535 121.223 0.028 0.000 2.131 274 L HA -0.482 nan 4.340 nan 0.000 0.210 274 L C 1.964 178.819 176.870 -0.024 0.000 1.092 274 L CA 3.080 57.908 54.840 -0.020 0.000 0.759 274 L CB -1.009 41.040 42.059 -0.016 0.000 0.903 274 L HN -0.197 8.064 8.230 0.051 0.000 0.435 275 D N -0.372 120.038 120.400 0.015 0.000 2.078 275 D HA -0.298 nan 4.640 nan 0.000 0.193 275 D C 1.864 178.116 176.300 -0.079 0.000 0.990 275 D CA 3.291 57.289 54.000 -0.004 0.000 0.827 275 D CB -0.226 40.607 40.800 0.056 0.000 0.975 275 D HN -0.377 7.873 8.370 0.058 0.155 0.451 276 A N -0.947 121.844 122.820 -0.049 0.000 1.978 276 A HA -0.268 nan 4.320 nan 0.000 0.220 276 A C 2.403 179.854 177.584 -0.221 0.000 1.170 276 A CA 2.986 54.922 52.037 -0.169 0.000 0.636 276 A CB -0.663 18.362 19.000 0.042 0.000 0.810 276 A HN -0.468 7.725 8.150 0.072 0.000 0.448 277 I N -2.635 117.844 120.570 -0.153 0.000 2.142 277 I HA -0.572 nan 4.170 nan 0.000 0.240 277 I C 1.767 177.631 176.117 -0.421 0.000 1.078 277 I CA 3.483 64.668 61.300 -0.193 0.000 1.343 277 I CB -0.281 37.666 38.000 -0.088 0.000 1.046 277 I HN -0.471 7.577 8.210 -0.091 0.107 0.405 278 N N -0.693 117.847 118.700 -0.267 0.000 2.080 278 N HA -0.232 nan 4.740 nan 0.000 0.189 278 N C 2.034 177.454 175.510 -0.149 0.000 1.036 278 N CA 2.959 55.886 53.050 -0.205 0.000 0.846 278 N CB 0.097 38.534 38.487 -0.083 0.000 1.015 278 N HN -0.643 7.631 8.380 -0.176 0.000 0.423 279 M N -2.065 117.426 119.600 -0.182 0.000 2.530 279 M HA -0.324 nan 4.480 nan 0.000 0.261 279 M C -0.256 175.986 176.300 -0.097 0.000 1.067 279 M CA 2.796 57.986 55.300 -0.183 0.000 1.071 279 M CB -0.300 31.998 32.600 -0.505 0.000 1.405 279 M HN 0.257 8.428 8.290 -0.197 0.000 0.478 280 H N -7.285 111.698 119.070 -0.144 0.000 3.080 280 H HA -0.404 nan 4.556 nan 0.000 0.254 280 H C -1.571 173.809 175.328 0.086 0.000 1.179 280 H CA 1.709 57.742 56.048 -0.024 0.000 1.144 280 H CB -2.514 27.241 29.762 -0.011 0.000 1.261 280 H HN -0.274 7.586 8.280 -0.392 0.185 0.333 281 Y N -7.671 112.685 120.300 0.092 0.000 2.597 281 Y HA 0.841 nan 4.550 nan 0.000 0.340 281 Y C -2.800 173.150 175.900 0.084 0.000 1.097 281 Y CA -2.544 55.609 58.100 0.087 0.000 1.037 281 Y CB 2.956 41.463 38.460 0.077 0.000 1.305 281 Y HN -0.529 7.433 8.280 -0.464 0.040 0.463 282 I N -4.513 116.245 120.570 0.313 0.000 2.846 282 I HA 0.728 nan 4.170 nan 0.000 0.307 282 I C -1.532 174.805 176.117 0.367 0.000 1.053 282 I CA -2.482 58.982 61.300 0.273 0.000 1.050 282 I CB 4.174 42.201 38.000 0.045 0.000 1.239 282 I HN 0.483 8.882 8.210 0.315 0.000 0.439 283 V N -2.368 117.776 119.914 0.384 0.000 2.427 283 V HA 0.476 nan 4.120 nan 0.000 0.286 283 V C -0.706 175.512 176.094 0.206 0.000 1.034 283 V CA -2.173 60.252 62.300 0.208 0.000 0.893 283 V CB 0.046 31.879 31.823 0.017 0.000 0.982 283 V HN 0.339 8.881 8.190 0.587 0.000 0.452 284 D N 5.300 125.772 120.400 0.121 0.000 2.433 284 D HA 0.273 nan 4.640 nan 0.000 0.255 284 D C 1.937 178.283 176.300 0.077 0.000 1.226 284 D CA -1.023 53.042 54.000 0.108 0.000 1.015 284 D CB 1.585 42.426 40.800 0.068 0.000 1.091 284 D HN 0.532 8.848 8.370 0.088 0.107 0.527 285 K N 0.606 121.050 120.400 0.074 0.000 2.097 285 K HA -0.288 nan 4.320 nan 0.000 0.206 285 K C 0.855 177.473 176.600 0.030 0.000 1.049 285 K CA 2.889 59.209 56.287 0.055 0.000 0.933 285 K CB -0.538 31.994 32.500 0.054 0.000 0.717 285 K HN 0.287 8.586 8.250 0.081 0.000 0.442 286 D N -5.412 115.004 120.400 0.026 0.000 2.350 286 D HA -0.146 nan 4.640 nan 0.000 0.216 286 D C -0.175 176.126 176.300 0.002 0.000 0.968 286 D CA 0.108 54.116 54.000 0.013 0.000 0.894 286 D CB -1.081 39.726 40.800 0.012 0.000 0.909 286 D HN -0.331 8.034 8.370 0.034 0.026 0.520 287 N N -3.092 115.608 118.700 0.001 0.000 2.901 287 N HA -0.462 nan 4.740 nan 0.000 0.248 287 N C -1.354 174.142 175.510 -0.024 0.000 1.044 287 N CA 1.223 54.261 53.050 -0.020 0.000 0.847 287 N CB -1.488 36.983 38.487 -0.027 0.000 1.127 287 N HN 0.097 8.259 8.380 0.014 0.227 0.562 288 N N -0.882 117.813 118.700 -0.009 0.000 2.463 288 N HA 0.133 nan 4.740 nan 0.000 0.270 288 N C -1.305 174.199 175.510 -0.011 0.000 1.205 288 N CA 0.132 53.170 53.050 -0.020 0.000 0.974 288 N CB 1.717 40.199 38.487 -0.008 0.000 1.197 288 N HN 0.025 8.725 8.380 0.008 -0.316 0.504 289 K N 0.405 120.776 120.400 -0.048 0.000 2.182 289 K HA 0.663 nan 4.320 nan 0.000 0.262 289 K C -1.010 175.609 176.600 0.031 0.000 0.957 289 K CA -0.872 55.401 56.287 -0.024 0.000 0.842 289 K CB 1.341 33.680 32.500 -0.268 0.000 1.099 289 K HN 0.022 8.231 8.250 -0.068 0.000 0.438 290 I N -0.771 119.865 120.570 0.110 0.000 2.474 290 I HA 0.621 nan 4.170 nan 0.000 0.294 290 I C -2.376 173.834 176.117 0.154 0.000 1.005 290 I CA -3.530 57.827 61.300 0.095 0.000 1.113 290 I CB 2.186 40.229 38.000 0.072 0.000 1.289 290 I HN 0.567 8.877 8.210 0.166 0.000 0.436 291 P HA 0.218 nan 4.420 nan 0.000 0.275 291 P C -0.962 176.460 177.300 0.202 0.000 1.228 291 P CA -0.562 62.651 63.100 0.189 0.000 0.786 291 P CB 0.329 32.120 31.700 0.152 0.000 0.927 292 L N 2.879 124.257 121.223 0.258 0.000 2.387 292 L HA -0.046 nan 4.340 nan 0.000 0.267 292 L C -0.676 176.446 176.870 0.421 0.000 1.197 292 L CA -0.652 54.391 54.840 0.340 0.000 1.070 292 L CB -1.703 40.634 42.059 0.464 0.000 1.349 292 L HN 0.226 8.521 8.230 0.270 0.097 0.422 293 D N 2.876 123.500 120.400 0.373 0.000 2.313 293 D HA 0.062 nan 4.640 nan 0.000 0.247 293 D C 1.150 177.763 176.300 0.523 0.000 1.094 293 D CA -1.304 52.943 54.000 0.411 0.000 0.925 293 D CB 2.470 43.468 40.800 0.329 0.000 1.188 293 D HN -0.460 8.057 8.370 0.299 0.033 0.430 294 I N 3.850 124.682 120.570 0.438 0.000 2.043 294 I HA -0.528 nan 4.170 nan 0.000 0.231 294 I C 1.856 177.976 176.117 0.005 0.000 1.024 294 I CA 3.809 65.325 61.300 0.360 0.000 1.309 294 I CB -0.015 38.141 38.000 0.260 0.000 1.030 294 I HN 0.193 8.624 8.210 0.369 0.000 0.389 295 E N -1.777 118.249 120.200 -0.290 0.000 2.233 295 E HA -0.323 nan 4.350 nan 0.000 0.199 295 E C 1.234 177.543 176.600 -0.485 0.000 1.004 295 E CA 2.534 58.629 56.400 -0.508 0.000 0.819 295 E CB -0.311 28.939 29.700 -0.749 0.000 0.738 295 E HN 0.662 8.883 8.360 -0.231 0.000 0.478 296 H N -5.150 113.957 119.070 0.061 0.000 2.893 296 H HA 0.334 nan 4.556 nan 0.000 0.270 296 H C 1.147 176.509 175.328 0.058 0.000 1.095 296 H CA -1.119 54.961 56.048 0.053 0.000 1.186 296 H CB 0.242 30.044 29.762 0.068 0.000 1.562 296 H HN -0.469 7.582 8.280 -0.228 0.093 0.536 297 G N -0.479 108.426 108.800 0.175 0.000 2.470 297 G HA2 -0.231 nan 3.960 nan 0.000 0.220 297 G HA3 -0.231 nan 3.960 nan 0.000 0.220 297 G C 0.108 174.955 174.900 -0.088 0.000 1.121 297 G CA 2.177 47.446 45.100 0.282 0.000 0.766 297 G HN -0.449 7.833 8.290 0.088 0.061 0.553 298 T N 0.298 114.811 114.554 -0.068 0.000 3.054 298 T HA 0.006 nan 4.350 nan 0.000 0.259 298 T C 0.938 175.639 174.700 0.002 0.000 1.092 298 T CA 2.778 64.817 62.100 -0.103 0.000 1.121 298 T CB -0.092 68.692 68.868 -0.141 0.000 0.912 298 T HN -0.205 7.973 8.240 -0.033 0.042 0.489 299 D N 1.809 122.226 120.400 0.028 0.000 2.277 299 D HA 0.058 nan 4.640 nan 0.000 0.209 299 D C 1.314 177.648 176.300 0.057 0.000 0.970 299 D CA 1.847 55.886 54.000 0.064 0.000 0.874 299 D CB 0.394 41.239 40.800 0.074 0.000 0.982 299 D HN -0.097 8.117 8.370 0.031 0.174 0.504 300 I N -1.820 118.781 120.570 0.051 0.000 2.194 300 I HA -0.453 nan 4.170 nan 0.000 0.246 300 I C 1.165 177.265 176.117 -0.028 0.000 1.093 300 I CA 3.949 65.262 61.300 0.022 0.000 1.355 300 I CB -0.396 37.623 38.000 0.032 0.000 1.046 300 I HN 0.300 8.555 8.210 0.077 0.000 0.413 301 L N -0.449 120.736 121.223 -0.063 0.000 2.093 301 L HA -0.222 nan 4.340 nan 0.000 0.208 301 L C 1.775 178.637 176.870 -0.014 0.000 1.085 301 L CA 2.679 57.463 54.840 -0.093 0.000 0.755 301 L CB -0.574 41.413 42.059 -0.120 0.000 0.904 301 L HN -0.327 7.852 8.230 -0.071 0.009 0.435 302 G N -3.312 105.525 108.800 0.062 0.000 2.422 302 G HA2 -0.499 nan 3.960 nan 0.000 0.218 302 G HA3 -0.499 nan 3.960 nan 0.000 0.218 302 G C 0.824 175.739 174.900 0.025 0.000 1.146 302 G CA 2.324 47.472 45.100 0.081 0.000 0.769 302 G HN -0.559 7.672 8.290 0.070 0.102 0.547 303 D N 1.862 122.277 120.400 0.026 0.000 2.081 303 D HA -0.358 nan 4.640 nan 0.000 0.194 303 D C 2.251 178.539 176.300 -0.020 0.000 0.986 303 D CA 2.702 56.713 54.000 0.017 0.000 0.837 303 D CB -0.543 40.277 40.800 0.033 0.000 0.985 303 D HN -0.381 8.008 8.370 0.032 0.000 0.448 304 I N -5.002 115.529 120.570 -0.065 0.000 2.992 304 I HA -0.398 nan 4.170 nan 0.000 0.277 304 I C 0.477 176.521 176.117 -0.121 0.000 1.277 304 I CA 2.212 63.429 61.300 -0.137 0.000 1.429 304 I CB -0.597 37.196 38.000 -0.345 0.000 1.104 304 I HN -0.241 7.932 8.210 -0.062 0.000 0.498 305 I N -2.926 117.597 120.570 -0.079 0.000 4.827 305 I HA -0.025 nan 4.170 nan 0.000 0.362 305 I C 0.041 176.071 176.117 -0.146 0.000 1.237 305 I CA -0.114 61.137 61.300 -0.081 0.000 1.366 305 I CB 0.615 38.587 38.000 -0.047 0.000 1.742 305 I HN -0.326 7.625 8.210 -0.062 0.221 0.588 306 E N 0.220 120.321 120.200 -0.165 0.000 2.038 306 E HA -0.322 nan 4.350 nan 0.000 0.195 306 E C -0.193 176.329 176.600 -0.131 0.000 1.000 306 E CA 3.362 59.614 56.400 -0.248 0.000 0.803 306 E CB 0.107 29.744 29.700 -0.106 0.000 0.750 306 E HN -0.151 8.150 8.360 -0.099 0.000 0.448 307 S N -1.335 114.329 115.700 -0.060 0.000 3.334 307 S HA 0.062 nan 4.470 nan 0.000 0.224 307 S C -0.913 173.647 174.600 -0.066 0.000 0.959 307 S CA -0.298 57.866 58.200 -0.061 0.000 0.815 307 S CB 1.704 64.866 63.200 -0.064 0.000 0.861 307 S HN 0.016 8.303 8.310 -0.039 0.000 0.596 308 S N -0.574 115.104 115.700 -0.037 0.000 2.688 308 S HA 0.182 nan 4.470 nan 0.000 0.275 308 S C -1.016 173.589 174.600 0.009 0.000 1.175 308 S CA -0.458 57.735 58.200 -0.011 0.000 0.818 308 S CB 3.111 66.309 63.200 -0.002 0.000 1.157 308 S HN -0.544 7.747 8.310 -0.031 0.000 0.482 309 D N 2.129 122.542 120.400 0.021 0.000 2.084 309 D HA -0.023 nan 4.640 nan 0.000 0.199 309 D C 0.511 176.832 176.300 0.035 0.000 0.981 309 D CA 2.920 56.936 54.000 0.027 0.000 0.841 309 D CB 0.213 41.028 40.800 0.025 0.000 0.997 309 D HN 0.335 8.720 8.370 0.025 0.000 0.454 310 E N -0.992 119.238 120.200 0.050 0.000 2.204 310 E HA -0.221 nan 4.350 nan 0.000 0.195 310 E C -0.123 176.499 176.600 0.036 0.000 0.990 310 E CA 0.860 57.293 56.400 0.054 0.000 0.821 310 E CB 0.081 29.830 29.700 0.082 0.000 0.750 310 E HN -0.047 8.350 8.360 0.061 0.000 0.477 311 S N -1.815 113.898 115.700 0.022 0.000 2.642 311 S HA -0.243 nan 4.470 nan 0.000 0.308 311 S C 0.353 174.978 174.600 0.042 0.000 1.255 311 S CA 0.275 58.483 58.200 0.013 0.000 1.057 311 S CB 0.312 63.522 63.200 0.016 0.000 0.785 311 S HN -0.464 7.856 8.310 0.017 0.000 0.500 312 K N 2.977 123.398 120.400 0.035 0.000 2.097 312 K HA -0.193 nan 4.320 nan 0.000 0.205 312 K C -0.454 176.230 176.600 0.141 0.000 1.050 312 K CA 2.106 58.436 56.287 0.071 0.000 0.938 312 K CB 0.522 33.054 32.500 0.053 0.000 0.718 312 K HN 0.174 8.486 8.250 -0.012 -0.069 0.442 313 N N -3.914 114.937 118.700 0.251 0.000 2.310 313 N HA 0.142 nan 4.740 nan 0.000 0.292 313 N C -0.344 175.355 175.510 0.314 0.000 1.049 313 N CA -1.184 52.055 53.050 0.315 0.000 0.849 313 N CB 2.256 40.982 38.487 0.400 0.000 1.532 313 N HN -0.758 7.770 8.380 0.247 0.000 0.479 314 V N -1.012 119.006 119.914 0.173 0.000 2.672 314 V HA 0.204 nan 4.120 nan 0.000 0.242 314 V C 1.194 177.337 176.094 0.082 0.000 1.059 314 V CA 1.852 64.212 62.300 0.100 0.000 1.081 314 V CB 0.212 32.074 31.823 0.065 0.000 0.752 314 V HN 0.432 8.713 8.190 0.151 0.000 0.472 315 E N 0.725 120.996 120.200 0.117 0.000 2.158 315 E HA -0.375 nan 4.350 nan 0.000 0.191 315 E C 1.507 178.204 176.600 0.160 0.000 0.982 315 E CA 2.418 58.899 56.400 0.134 0.000 0.823 315 E CB -0.349 29.426 29.700 0.124 0.000 0.766 315 E HN -0.286 8.326 8.360 0.129 -0.175 0.468 316 Y N 0.125 120.415 120.300 -0.016 0.000 2.138 316 Y HA -0.351 nan 4.550 nan 0.000 0.286 316 Y C 1.794 177.615 175.900 -0.132 0.000 1.115 316 Y CA 4.064 62.078 58.100 -0.142 0.000 1.105 316 Y CB 0.761 38.984 38.460 -0.395 0.000 1.004 316 Y HN -0.712 7.879 8.280 0.191 -0.197 0.494 317 Y N -4.337 115.999 120.300 0.061 0.000 2.337 317 Y HA -0.214 nan 4.550 nan 0.000 0.293 317 Y C 0.460 176.040 175.900 -0.534 0.000 1.123 317 Y CA 2.477 60.517 58.100 -0.101 0.000 1.201 317 Y CB 0.543 39.005 38.460 0.003 0.000 1.011 317 Y HN -0.702 7.635 8.280 0.094 0.000 0.545 318 G N -1.128 107.367 108.800 -0.509 0.000 2.584 318 G HA2 -0.289 nan 3.960 nan 0.000 0.229 318 G HA3 -0.289 nan 3.960 nan 0.000 0.229 318 G C -1.915 172.557 174.900 -0.713 0.000 1.320 318 G CA -0.502 43.895 45.100 -1.171 0.000 0.891 318 G HN -0.303 7.763 8.290 -0.174 0.119 0.573 319 S N -1.230 114.032 115.700 -0.730 0.000 2.389 319 S HA 0.258 nan 4.470 nan 0.000 0.201 319 S C -0.356 174.289 174.600 0.075 0.000 1.422 319 S CA -0.884 57.191 58.200 -0.209 0.000 1.216 319 S CB 1.042 64.130 63.200 -0.188 0.000 1.130 319 S HN 0.006 7.535 8.310 -1.301 0.000 0.465 320 L N 5.173 126.512 121.223 0.193 0.000 1.994 320 L HA -0.295 nan 4.340 nan 0.000 0.208 320 L C 0.330 177.561 176.870 0.601 0.000 1.071 320 L CA 3.100 58.262 54.840 0.538 0.000 0.745 320 L CB -0.083 42.322 42.059 0.576 0.000 0.892 320 L HN 0.329 8.605 8.230 0.077 0.000 0.431 321 H N -0.709 118.629 119.070 0.447 0.000 2.293 321 H HA -0.398 nan 4.556 nan 0.000 0.300 321 H C 1.762 177.242 175.328 0.253 0.000 1.082 321 H CA 4.091 60.463 56.048 0.540 0.000 1.308 321 H CB -0.228 29.800 29.762 0.443 0.000 1.375 321 H HN 0.340 8.913 8.280 0.489 0.000 0.495 322 N N -0.668 118.188 118.700 0.260 0.000 2.120 322 N HA -0.348 nan 4.740 nan 0.000 0.188 322 N C 2.360 177.784 175.510 -0.144 0.000 1.024 322 N CA 3.177 56.283 53.050 0.093 0.000 0.852 322 N CB -0.885 37.639 38.487 0.061 0.000 1.003 322 N HN -0.003 8.562 8.380 0.308 0.000 0.424 323 W N -0.779 120.528 121.300 0.012 0.000 2.374 323 W HA -0.207 nan 4.660 nan 0.000 0.288 323 W C 1.840 178.230 176.519 -0.216 0.000 1.218 323 W CA 2.849 60.189 57.345 -0.007 0.000 1.245 323 W CB -0.200 29.352 29.460 0.154 0.000 1.126 323 W HN -0.203 8.046 8.180 0.114 0.000 0.545 324 G N -2.012 106.595 108.800 -0.323 0.000 2.418 324 G HA2 -0.430 nan 3.960 nan 0.000 0.217 324 G HA3 -0.430 nan 3.960 nan 0.000 0.217 324 G C 0.995 175.328 174.900 -0.946 0.000 1.158 324 G CA 2.234 46.690 45.100 -1.074 0.000 0.771 324 G HN 0.195 8.300 8.290 -0.165 0.085 0.545 325 H N 2.286 120.812 119.070 -0.906 0.000 2.353 325 H HA -0.212 nan 4.556 nan 0.000 0.300 325 H C 2.550 177.688 175.328 -0.316 0.000 1.090 325 H CA 3.974 59.584 56.048 -0.729 0.000 1.327 325 H CB 0.123 29.168 29.762 -1.195 0.000 1.383 325 H HN -0.624 7.120 8.280 -0.692 0.120 0.508 326 V N 0.153 120.055 119.914 -0.020 0.000 2.295 326 V HA -0.456 nan 4.120 nan 0.000 0.246 326 V C 2.115 178.277 176.094 0.113 0.000 1.049 326 V CA 4.690 67.072 62.300 0.137 0.000 1.024 326 V CB -0.750 31.257 31.823 0.308 0.000 0.648 326 V HN -0.327 7.714 8.190 -0.061 0.113 0.447 327 M N -2.273 117.367 119.600 0.068 0.000 2.117 327 M HA -0.349 nan 4.480 nan 0.000 0.262 327 M C 1.934 178.211 176.300 -0.037 0.000 1.065 327 M CA 3.614 58.941 55.300 0.044 0.000 1.114 327 M CB -0.051 32.558 32.600 0.015 0.000 1.361 327 M HN 0.058 8.270 8.290 0.048 0.106 0.408 328 M N -1.989 117.504 119.600 -0.178 0.000 2.175 328 M HA -0.194 nan 4.480 nan 0.000 0.264 328 M C 2.683 178.934 176.300 -0.083 0.000 1.063 328 M CA 2.716 57.893 55.300 -0.205 0.000 1.119 328 M CB 0.356 32.732 32.600 -0.372 0.000 1.377 328 M HN -0.373 7.752 8.290 -0.275 0.000 0.415 329 A N -1.211 121.590 122.820 -0.032 0.000 1.933 329 A HA -0.241 nan 4.320 nan 0.000 0.218 329 A C 0.677 178.310 177.584 0.081 0.000 1.175 329 A CA 2.880 54.946 52.037 0.048 0.000 0.628 329 A CB -0.291 18.767 19.000 0.096 0.000 0.814 329 A HN 0.247 8.274 8.150 -0.056 0.088 0.444 330 N N -4.195 114.562 118.700 0.095 0.000 2.538 330 N HA 0.064 nan 4.740 nan 0.000 0.291 330 N C 0.169 175.757 175.510 0.130 0.000 1.323 330 N CA -1.754 51.372 53.050 0.126 0.000 0.934 330 N CB -0.835 37.750 38.487 0.164 0.000 1.255 330 N HN -0.448 7.985 8.380 0.088 0.000 0.509 331 I N 1.013 121.644 120.570 0.102 0.000 2.286 331 I HA -0.325 nan 4.170 nan 0.000 0.248 331 I C 0.510 176.733 176.117 0.177 0.000 1.115 331 I CA 2.554 63.937 61.300 0.139 0.000 1.392 331 I CB 0.124 38.163 38.000 0.065 0.000 1.065 331 I HN -0.728 7.437 8.210 0.067 0.085 0.418 332 T N -1.121 113.497 114.554 0.107 0.000 2.788 332 T HA -0.254 nan 4.350 nan 0.000 0.268 332 T C -0.487 174.246 174.700 0.055 0.000 1.044 332 T CA 2.661 64.797 62.100 0.060 0.000 1.139 332 T CB -0.161 68.707 68.868 -0.002 0.000 0.867 332 T HN 0.150 8.409 8.240 0.087 0.033 0.454 333 D N -1.351 119.120 120.400 0.119 0.000 2.621 333 D HA 0.481 nan 4.640 nan 0.000 0.274 333 D C -0.757 175.661 176.300 0.197 0.000 1.215 333 D CA -2.978 51.141 54.000 0.197 0.000 0.810 333 D CB 0.471 41.411 40.800 0.233 0.000 1.248 333 D HN -0.857 7.495 8.370 0.127 0.094 0.517 334 P HA -0.258 nan 4.420 nan 0.000 0.216 334 P C 0.635 178.019 177.300 0.140 0.000 1.150 334 P CA 1.953 65.143 63.100 0.149 0.000 0.837 334 P CB 0.348 32.124 31.700 0.127 0.000 0.786 335 D N -3.252 117.219 120.400 0.118 0.000 2.183 335 D HA -0.245 nan 4.640 nan 0.000 0.203 335 D C 0.247 176.655 176.300 0.181 0.000 0.969 335 D CA 0.743 54.802 54.000 0.098 0.000 0.842 335 D CB 0.289 41.108 40.800 0.032 0.000 0.957 335 D HN -0.254 8.161 8.370 0.114 0.022 0.484 336 H N -4.146 114.977 119.070 0.087 0.000 2.992 336 H HA -0.298 nan 4.556 nan 0.000 0.266 336 H C -0.566 174.783 175.328 0.034 0.000 1.200 336 H CA 0.759 56.859 56.048 0.086 0.000 1.135 336 H CB -1.057 28.742 29.762 0.062 0.000 1.282 336 H HN -0.352 8.119 8.280 0.228 -0.055 0.351 337 R N -3.172 117.307 120.500 -0.035 0.000 2.092 337 R HA -0.177 nan 4.340 nan 0.000 0.231 337 R C 0.992 177.108 176.300 -0.305 0.000 1.119 337 R CA 1.984 57.966 56.100 -0.197 0.000 0.970 337 R CB -0.077 30.026 30.300 -0.329 0.000 0.864 337 R HN -0.275 8.099 8.270 0.013 -0.096 0.440 338 F N -0.116 119.764 119.950 -0.117 0.000 2.234 338 F HA -0.190 nan 4.527 nan 0.000 0.299 338 F C 0.225 175.907 175.800 -0.195 0.000 1.087 338 F CA 1.859 59.787 58.000 -0.121 0.000 1.340 338 F CB 0.328 39.276 39.000 -0.085 0.000 1.031 338 F HN -0.476 8.153 8.300 -0.049 -0.359 0.500 339 Q N -5.330 114.311 119.800 -0.265 0.000 2.470 339 Q HA -0.425 nan 4.340 nan 0.000 0.294 339 Q C -1.221 174.671 176.000 -0.179 0.000 1.356 339 Q CA 0.896 56.443 55.803 -0.426 0.000 0.805 339 Q CB -2.242 26.387 28.738 -0.181 0.000 1.157 339 Q HN -0.415 7.731 8.270 -0.354 -0.089 0.431 340 E N -2.024 118.104 120.200 -0.119 0.000 2.222 340 E HA 0.215 nan 4.350 nan 0.000 0.272 340 E C -1.368 175.240 176.600 0.013 0.000 0.982 340 E CA -1.631 54.757 56.400 -0.020 0.000 0.842 340 E CB 1.906 31.606 29.700 -0.000 0.000 1.144 340 E HN -0.620 7.645 8.360 -0.158 0.000 0.397 341 N N 1.578 120.290 118.700 0.021 0.000 2.467 341 N HA 0.234 nan 4.740 nan 0.000 0.262 341 N C -1.210 174.346 175.510 0.078 0.000 1.234 341 N CA -1.427 51.647 53.050 0.038 0.000 0.952 341 N CB -0.305 38.155 38.487 -0.044 0.000 1.158 341 N HN 0.214 8.594 8.380 0.001 0.000 0.463 342 P HA 0.024 nan 4.420 nan 0.000 0.274 342 P C -0.800 176.644 177.300 0.239 0.000 1.256 342 P CA -0.428 62.766 63.100 0.157 0.000 0.795 342 P CB 0.882 32.673 31.700 0.150 0.000 1.038 343 G N -1.291 107.640 108.800 0.218 0.000 2.535 343 G HA2 0.192 nan 3.960 nan 0.000 0.282 343 G HA3 0.192 nan 3.960 nan 0.000 0.282 343 G C 0.567 175.605 174.900 0.229 0.000 1.350 343 G CA -1.604 43.637 45.100 0.236 0.000 1.039 343 G HN -0.270 8.007 8.290 0.158 0.107 0.509 344 V N -5.560 114.361 119.914 0.011 0.000 2.720 344 V HA -0.328 nan 4.120 nan 0.000 0.256 344 V C 1.858 177.948 176.094 -0.006 0.000 1.082 344 V CA 2.804 64.967 62.300 -0.228 0.000 1.101 344 V CB -0.419 31.272 31.823 -0.220 0.000 0.693 344 V HN 0.547 8.771 8.190 0.057 0.000 0.479 345 M N 0.531 120.184 119.600 0.089 0.000 2.279 345 M HA -0.305 nan 4.480 nan 0.000 0.264 345 M C 1.599 178.090 176.300 0.318 0.000 1.062 345 M CA 2.233 57.644 55.300 0.184 0.000 1.099 345 M CB -0.937 31.693 32.600 0.050 0.000 1.394 345 M HN -0.263 8.016 8.290 0.075 0.056 0.426 346 S N -0.605 115.246 115.700 0.252 0.000 2.447 346 S HA -0.283 nan 4.470 nan 0.000 0.233 346 S C -0.740 174.024 174.600 0.274 0.000 1.006 346 S CA 3.443 61.805 58.200 0.270 0.000 0.957 346 S CB 0.161 63.477 63.200 0.193 0.000 0.773 346 S HN -0.560 7.829 8.310 0.199 0.041 0.507 347 D N -2.555 118.002 120.400 0.262 0.000 2.350 347 D HA 0.342 nan 4.640 nan 0.000 0.245 347 D C -0.386 176.087 176.300 0.288 0.000 1.036 347 D CA -1.128 53.019 54.000 0.244 0.000 0.848 347 D CB 2.938 43.882 40.800 0.240 0.000 1.307 347 D HN -0.652 7.711 8.370 0.222 0.140 0.469 348 T N 4.068 118.783 114.554 0.269 0.000 2.915 348 T HA -0.079 nan 4.350 nan 0.000 0.269 348 T C 2.204 177.220 174.700 0.526 0.000 1.071 348 T CA 3.693 66.024 62.100 0.386 0.000 1.132 348 T CB -0.235 68.627 68.868 -0.010 0.000 0.878 348 T HN 0.349 8.725 8.240 0.226 0.000 0.479 349 S N 1.487 117.449 115.700 0.436 0.000 2.371 349 S HA -0.178 nan 4.470 nan 0.000 0.224 349 S C 0.975 175.544 174.600 -0.052 0.000 1.029 349 S CA 3.607 61.926 58.200 0.198 0.000 0.978 349 S CB 0.021 63.219 63.200 -0.003 0.000 0.833 349 S HN -0.253 8.625 8.310 0.498 -0.269 0.466 350 T N -5.146 109.361 114.554 -0.079 0.000 3.035 350 T HA 0.227 nan 4.350 nan 0.000 0.259 350 T C 2.392 177.001 174.700 -0.152 0.000 1.078 350 T CA 1.337 63.310 62.100 -0.211 0.000 1.132 350 T CB -0.073 68.556 68.868 -0.399 0.000 0.900 350 T HN -0.143 8.102 8.240 0.008 0.000 0.480 351 S N 4.311 120.002 115.700 -0.014 0.000 2.400 351 S HA -0.343 nan 4.470 nan 0.000 0.232 351 S C 2.077 176.534 174.600 -0.238 0.000 1.025 351 S CA 3.598 61.824 58.200 0.043 0.000 0.993 351 S CB -1.143 62.303 63.200 0.411 0.000 0.808 351 S HN 0.161 8.533 8.310 0.103 0.000 0.478 352 L N 1.684 122.594 121.223 -0.522 0.000 2.201 352 L HA -0.224 nan 4.340 nan 0.000 0.212 352 L C 1.687 178.305 176.870 -0.419 0.000 1.105 352 L CA 2.150 56.507 54.840 -0.805 0.000 0.775 352 L CB -0.765 40.904 42.059 -0.650 0.000 0.913 352 L HN -0.324 7.642 8.230 -0.386 0.032 0.440 353 R N -2.829 117.494 120.500 -0.295 0.000 2.092 353 R HA -0.278 nan 4.340 nan 0.000 0.231 353 R C 0.023 176.044 176.300 -0.466 0.000 1.119 353 R CA 2.173 58.121 56.100 -0.253 0.000 0.970 353 R CB -0.333 29.881 30.300 -0.144 0.000 0.864 353 R HN -0.119 7.946 8.270 -0.277 0.039 0.440 354 D N 0.718 120.832 120.400 -0.476 0.000 2.351 354 D HA 0.268 nan 4.640 nan 0.000 0.251 354 D C -0.781 175.343 176.300 -0.295 0.000 1.137 354 D CA -2.633 51.003 54.000 -0.605 0.000 0.879 354 D CB 0.794 41.434 40.800 -0.266 0.000 1.181 354 D HN -0.761 7.389 8.370 -0.319 0.030 0.448 355 P HA -0.028 nan 4.420 nan 0.000 0.223 355 P C 0.739 178.085 177.300 0.078 0.000 1.151 355 P CA 1.543 64.663 63.100 0.033 0.000 0.787 355 P CB 0.028 31.755 31.700 0.044 0.000 0.788 356 I N -5.137 115.417 120.570 -0.027 0.000 2.454 356 I HA -0.410 nan 4.170 nan 0.000 0.254 356 I C 1.008 177.090 176.117 -0.058 0.000 1.156 356 I CA 2.931 64.194 61.300 -0.062 0.000 1.433 356 I CB -0.550 37.357 38.000 -0.155 0.000 1.082 356 I HN -0.576 7.845 8.210 -0.077 -0.257 0.432 357 F N 1.996 121.785 119.950 -0.269 0.000 2.091 357 F HA -0.488 nan 4.527 nan 0.000 0.299 357 F C 1.135 176.788 175.800 -0.246 0.000 1.103 357 F CA 4.543 62.354 58.000 -0.316 0.000 1.228 357 F CB -0.041 38.572 39.000 -0.645 0.000 0.984 357 F HN -0.511 7.633 8.300 -0.016 0.146 0.477 358 Y N -3.190 117.215 120.300 0.175 0.000 2.200 358 Y HA -0.426 nan 4.550 nan 0.000 0.290 358 Y C 2.090 178.019 175.900 0.048 0.000 1.137 358 Y CA 4.025 62.151 58.100 0.042 0.000 1.163 358 Y CB -0.672 37.586 38.460 -0.336 0.000 0.988 358 Y HN -0.763 7.433 8.280 -0.110 0.018 0.518 359 R N -0.403 120.197 120.500 0.167 0.000 2.073 359 R HA -0.417 nan 4.340 nan 0.000 0.234 359 R C 2.299 178.684 176.300 0.142 0.000 1.134 359 R CA 3.517 59.712 56.100 0.157 0.000 0.952 359 R CB -0.163 30.221 30.300 0.140 0.000 0.850 359 R HN -0.627 7.648 8.270 0.148 0.084 0.433 360 W N 0.023 121.238 121.300 -0.140 0.000 2.381 360 W HA -0.328 nan 4.660 nan 0.000 0.301 360 W C 1.681 178.106 176.519 -0.158 0.000 1.205 360 W CA 3.729 60.936 57.345 -0.231 0.000 1.285 360 W CB 0.063 29.183 29.460 -0.568 0.000 1.133 360 W HN 0.079 8.308 8.180 0.080 0.000 0.521 361 H N -0.968 117.964 119.070 -0.231 0.000 2.423 361 H HA -0.282 nan 4.556 nan 0.000 0.297 361 H C 2.870 178.138 175.328 -0.100 0.000 1.075 361 H CA 5.083 61.005 56.048 -0.210 0.000 1.342 361 H CB -0.092 29.528 29.762 -0.236 0.000 1.395 361 H HN -0.113 8.172 8.280 0.007 0.000 0.530 362 R N -0.699 119.843 120.500 0.069 0.000 2.092 362 R HA -0.288 nan 4.340 nan 0.000 0.231 362 R C 2.051 178.354 176.300 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 29.516 30.300 0.106 0.000 0.864 362 R HN 0.331 8.561 8.270 0.108 0.106 0.440 363 F N 1.508 121.325 119.950 -0.221 0.000 2.102 363 F HA -0.316 nan 4.527 nan 0.000 0.298 363 F C 1.674 177.279 175.800 -0.325 0.000 1.105 363 F CA 3.530 61.342 58.000 -0.313 0.000 1.239 363 F CB 0.101 38.746 39.000 -0.591 0.000 0.991 363 F HN -0.601 7.629 8.300 0.025 0.084 0.474 364 I N -4.980 115.341 120.570 -0.416 0.000 2.315 364 I HA -0.549 nan 4.170 nan 0.000 0.248 364 I C 1.498 177.674 176.117 0.098 0.000 1.117 364 I CA 3.345 64.502 61.300 -0.238 0.000 1.404 364 I CB -0.634 37.361 38.000 -0.007 0.000 1.071 364 I HN -0.112 7.795 8.210 -0.505 0.000 0.419 365 D N 0.402 120.913 120.400 0.185 0.000 2.149 365 D HA -0.326 nan 4.640 nan 0.000 0.198 365 D C 2.176 178.649 176.300 0.288 0.000 0.990 365 D CA 3.198 57.437 54.000 0.398 0.000 0.839 365 D CB -0.326 40.581 40.800 0.178 0.000 0.948 365 D HN 0.164 8.353 8.370 0.044 0.208 0.460 366 N N -0.985 117.713 118.700 -0.004 0.000 2.149 366 N HA -0.268 nan 4.740 nan 0.000 0.188 366 N C 2.413 177.844 175.510 -0.131 0.000 1.019 366 N CA 3.067 56.067 53.050 -0.082 0.000 0.857 366 N CB -0.154 38.205 38.487 -0.212 0.000 0.997 366 N HN -0.111 8.102 8.380 -0.092 0.112 0.426 367 I N -0.264 120.131 120.570 -0.292 0.000 2.226 367 I HA -0.523 nan 4.170 nan 0.000 0.245 367 I C 1.674 177.600 176.117 -0.319 0.000 1.100 367 I CA 3.665 64.735 61.300 -0.384 0.000 1.374 367 I CB -0.154 37.497 38.000 -0.581 0.000 1.057 367 I HN -0.434 7.425 8.210 -0.332 0.152 0.413 368 F N -1.809 118.112 119.950 -0.049 0.000 2.171 368 F HA -0.424 nan 4.527 nan 0.000 0.300 368 F C 2.317 178.077 175.800 -0.068 0.000 1.090 368 F CA 4.038 61.959 58.000 -0.131 0.000 1.293 368 F CB -0.778 38.032 39.000 -0.316 0.000 1.013 368 F HN -0.838 7.338 8.300 -0.079 0.077 0.486 369 Q N -1.893 118.016 119.800 0.182 0.000 2.124 369 Q HA -0.356 nan 4.340 nan 0.000 0.202 369 Q C 2.754 178.801 176.000 0.079 0.000 0.977 369 Q CA 3.026 58.909 55.803 0.133 0.000 0.850 369 Q CB -0.883 27.923 28.738 0.113 0.000 0.901 369 Q HN 0.172 8.475 8.270 0.223 0.101 0.429 370 E N -1.359 118.860 120.200 0.031 0.000 2.110 370 E HA -0.365 nan 4.350 nan 0.000 0.193 370 E C 2.239 178.863 176.600 0.040 0.000 0.988 370 E CA 2.957 59.361 56.400 0.007 0.000 0.804 370 E CB -0.297 29.380 29.700 -0.038 0.000 0.745 370 E HN -0.177 8.097 8.360 -0.001 0.086 0.458 371 H N 0.186 119.249 119.070 -0.012 0.000 2.353 371 H HA -0.221 nan 4.556 nan 0.000 0.300 371 H C 2.243 177.735 175.328 0.273 0.000 1.090 371 H CA 3.652 59.743 56.048 0.072 0.000 1.327 371 H CB -0.035 29.763 29.762 0.060 0.000 1.383 371 H HN -0.806 7.446 8.280 0.134 0.109 0.508 372 K N -1.836 118.703 120.400 0.231 0.000 2.147 372 K HA -0.296 nan 4.320 nan 0.000 0.205 372 K C 2.963 179.682 176.600 0.198 0.000 1.049 372 K CA 2.342 58.749 56.287 0.200 0.000 0.936 372 K CB -0.729 31.831 32.500 0.100 0.000 0.722 372 K HN -0.090 8.196 8.250 0.204 0.086 0.446 373 K N -0.501 119.952 120.400 0.089 0.000 2.097 373 K HA -0.235 nan 4.320 nan 0.000 0.206 373 K C 1.591 178.165 176.600 -0.043 0.000 1.049 373 K CA 2.699 58.997 56.287 0.017 0.000 0.933 373 K CB -0.314 32.181 32.500 -0.008 0.000 0.717 373 K HN 0.077 8.250 8.250 0.082 0.127 0.442 374 S N -1.918 113.728 115.700 -0.090 0.000 2.447 374 S HA -0.202 nan 4.470 nan 0.000 0.233 374 S C 0.412 174.763 174.600 -0.414 0.000 1.006 374 S CA 2.054 60.114 58.200 -0.235 0.000 0.957 374 S CB 0.651 63.706 63.200 -0.241 0.000 0.773 374 S HN -0.525 7.624 8.310 -0.056 0.127 0.507 375 F N 1.923 121.754 119.950 -0.197 0.000 2.382 375 F HA -0.001 nan 4.527 nan 0.000 0.331 375 F C 0.062 175.725 175.800 -0.228 0.000 1.121 375 F CA 1.087 58.983 58.000 -0.172 0.000 1.183 375 F CB 1.038 39.959 39.000 -0.132 0.000 1.207 375 F HN -0.692 7.554 8.300 0.205 0.177 0.555 376 H N 1.696 120.783 119.070 0.028 0.000 2.607 376 H HA 0.162 nan 4.556 nan 0.000 0.367 376 H C -1.619 173.638 175.328 -0.119 0.000 1.181 376 H CA -0.613 55.410 56.048 -0.041 0.000 1.402 376 H CB 0.284 30.023 29.762 -0.040 0.000 1.474 376 H HN 0.066 8.496 8.280 0.251 0.000 0.596 377 P HA 0.061 nan 4.420 nan 0.000 0.277 377 P C -1.442 175.786 177.300 -0.121 0.000 1.276 377 P CA -0.257 62.792 63.100 -0.086 0.000 0.788 377 P CB 0.654 32.378 31.700 0.040 0.000 1.114 378 Y N -0.772 119.625 120.300 0.163 0.000 2.320 378 Y HA 0.098 nan 4.550 nan 0.000 0.334 378 Y C 0.448 176.411 175.900 0.105 0.000 1.055 378 Y CA 0.284 58.478 58.100 0.158 0.000 1.143 378 Y CB 0.964 39.550 38.460 0.211 0.000 1.193 378 Y HN 0.237 8.617 8.280 0.166 0.000 0.477 379 T N 4.853 119.552 114.554 0.240 0.000 2.816 379 T HA 0.231 nan 4.350 nan 0.000 0.282 379 T C 0.557 175.309 174.700 0.087 0.000 0.993 379 T CA -0.743 61.429 62.100 0.120 0.000 0.994 379 T CB 1.320 70.241 68.868 0.088 0.000 1.025 379 T HN 0.231 8.637 8.240 0.276 0.000 0.529 380 K N 1.194 121.604 120.400 0.016 0.000 2.147 380 K HA -0.346 nan 4.320 nan 0.000 0.205 380 K C 2.280 178.889 176.600 0.015 0.000 1.049 380 K CA 3.155 59.428 56.287 -0.023 0.000 0.936 380 K CB 0.006 32.483 32.500 -0.039 0.000 0.722 380 K HN 0.306 8.561 8.250 0.009 0.000 0.446 381 E N -1.595 118.626 120.200 0.035 0.000 2.058 381 E HA -0.310 nan 4.350 nan 0.000 0.194 381 E C 1.133 177.774 176.600 0.068 0.000 0.997 381 E CA 2.848 59.272 56.400 0.040 0.000 0.801 381 E CB -0.627 29.097 29.700 0.041 0.000 0.746 381 E HN 0.093 8.461 8.360 0.033 0.011 0.450 382 E N -2.109 118.158 120.200 0.111 0.000 2.072 382 E HA -0.164 nan 4.350 nan 0.000 0.191 382 E C 1.742 178.421 176.600 0.133 0.000 0.985 382 E CA 2.187 58.666 56.400 0.132 0.000 0.801 382 E CB -0.149 29.706 29.700 0.258 0.000 0.750 382 E HN -0.626 7.720 8.360 0.129 0.091 0.452 383 L N -3.123 118.183 121.223 0.138 0.000 2.044 383 L HA -0.232 nan 4.340 nan 0.000 0.205 383 L C 0.819 177.762 176.870 0.122 0.000 1.075 383 L CA 2.016 56.941 54.840 0.140 0.000 0.747 383 L CB 0.361 42.420 42.059 -0.001 0.000 0.903 383 L HN -0.673 7.629 8.230 0.119 0.000 0.435 384 S N -3.152 112.592 115.700 0.073 0.000 2.576 384 S HA -0.079 nan 4.470 nan 0.000 0.276 384 S C -1.063 173.628 174.600 0.151 0.000 1.339 384 S CA 1.672 59.918 58.200 0.077 0.000 1.039 384 S CB 0.742 63.951 63.200 0.015 0.000 0.902 384 S HN -0.275 7.968 8.310 0.055 0.100 0.516 385 F N 6.028 125.980 119.950 0.003 0.000 2.434 385 F HA 0.357 nan 4.527 nan 0.000 0.355 385 F C -2.712 173.088 175.800 -0.001 0.000 1.115 385 F CA -3.472 54.532 58.000 0.006 0.000 1.010 385 F CB 2.787 41.794 39.000 0.010 0.000 1.234 385 F HN -0.376 8.237 8.300 0.211 -0.186 0.439 386 P HA 0.059 nan 4.420 nan 0.000 0.275 386 P C -0.587 176.467 177.300 -0.409 0.000 1.228 386 P CA -0.044 62.852 63.100 -0.340 0.000 0.786 386 P CB 0.469 32.020 31.700 -0.248 0.000 0.927 387 G N 0.528 109.215 108.800 -0.188 0.000 2.253 387 G HA2 -0.306 nan 3.960 nan 0.000 0.251 387 G HA3 -0.306 nan 3.960 nan 0.000 0.251 387 G C -1.201 173.677 174.900 -0.037 0.000 0.998 387 G CA 0.548 45.575 45.100 -0.122 0.000 0.621 387 G HN 0.091 8.303 8.290 -0.129 0.000 0.524 388 V N 1.492 121.415 119.914 0.016 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 0.080 0.000 1.030 388 V CA -0.771 61.611 62.300 0.137 0.000 0.881 388 V CB 0.670 32.721 31.823 0.381 0.000 0.983 388 V HN -0.728 7.352 8.190 -0.041 0.086 0.445 389 E N 6.965 127.193 120.200 0.046 0.000 2.272 389 E HA 0.437 nan 4.350 nan 0.000 0.269 389 E C -1.585 175.019 176.600 0.006 0.000 0.877 389 E CA -1.640 54.772 56.400 0.019 0.000 0.755 389 E CB 4.738 34.442 29.700 0.006 0.000 1.192 389 E HN 0.336 8.723 8.360 0.044 0.000 0.422 390 V N 6.760 126.667 119.914 -0.012 0.000 2.348 390 V HA 0.275 nan 4.120 nan 0.000 0.270 390 V C -0.104 175.977 176.094 -0.023 0.000 1.037 390 V CA -0.009 62.273 62.300 -0.031 0.000 0.872 390 V CB -0.596 31.188 31.823 -0.064 0.000 1.002 390 V HN 0.307 8.489 8.190 -0.012 0.000 0.464 391 V N 8.084 127.988 119.914 -0.016 0.000 2.323 391 V HA -0.014 nan 4.120 nan 0.000 0.244 391 V C 0.189 176.278 176.094 -0.008 0.000 1.041 391 V CA 1.783 64.078 62.300 -0.009 0.000 1.025 391 V CB 0.472 32.292 31.823 -0.005 0.000 0.656 391 V HN 0.672 8.851 8.190 -0.018 0.000 0.451 392 G N -4.536 104.257 108.800 -0.011 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 -0.001 0.000 1.487 392 G CA 0.633 45.731 45.100 -0.003 0.000 0.795 392 G HN -0.820 7.459 8.290 -0.017 0.000 0.513 393 V N -0.916 119.006 119.914 0.014 0.000 2.925 393 V HA 0.705 nan 4.120 nan 0.000 0.311 393 V C -1.448 174.682 176.094 0.061 0.000 1.104 393 V CA -1.582 60.740 62.300 0.036 0.000 0.954 393 V CB 3.499 35.340 31.823 0.030 0.000 1.022 393 V HN 0.280 8.481 8.190 0.019 0.000 0.427 394 S N 2.475 118.228 115.700 0.089 0.000 2.546 394 S HA 0.689 nan 4.470 nan 0.000 0.274 394 S C -1.885 172.782 174.600 0.112 0.000 1.121 394 S CA -1.080 57.167 58.200 0.080 0.000 0.887 394 S CB 3.506 66.737 63.200 0.051 0.000 1.094 394 S HN 0.304 8.677 8.310 0.104 0.000 0.474 395 I N -1.590 119.023 120.570 0.072 0.000 2.404 395 I HA 0.651 nan 4.170 nan 0.000 0.293 395 I C -1.794 174.322 176.117 -0.001 0.000 0.992 395 I CA -2.107 59.207 61.300 0.024 0.000 1.149 395 I CB 1.283 39.242 38.000 -0.068 0.000 1.315 395 I HN 0.359 8.895 8.210 0.052 -0.295 0.446 396 N N 8.142 126.847 118.700 0.008 0.000 2.400 396 N HA 0.439 nan 4.740 nan 0.000 0.288 396 N C -1.458 174.080 175.510 0.047 0.000 1.024 396 N CA 0.196 53.258 53.050 0.021 0.000 0.894 396 N CB 2.237 40.736 38.487 0.021 0.000 1.173 396 N HN 0.574 8.846 8.380 0.000 0.109 0.487 397 S N 2.750 118.471 115.700 0.034 0.000 2.929 397 S HA 0.196 nan 4.470 nan 0.000 0.311 397 S C -0.710 173.901 174.600 0.019 0.000 1.213 397 S CA -0.409 57.820 58.200 0.048 0.000 0.908 397 S CB 2.269 65.492 63.200 0.039 0.000 1.287 397 S HN 0.024 8.344 8.310 0.017 0.000 0.594 398 K N 1.993 122.399 120.400 0.010 0.000 2.032 398 K HA -0.148 nan 4.320 nan 0.000 0.209 398 K C 0.006 176.602 176.600 -0.008 0.000 1.048 398 K CA 1.834 58.118 56.287 -0.006 0.000 0.927 398 K CB 0.280 32.768 32.500 -0.021 0.000 0.712 398 K HN 0.063 8.662 8.250 0.015 -0.340 0.441 399 T N 0.429 114.977 114.554 -0.010 0.000 2.807 399 T HA 0.186 nan 4.350 nan 0.000 0.279 399 T C -1.538 173.158 174.700 -0.007 0.000 0.993 399 T CA -0.675 61.420 62.100 -0.009 0.000 0.970 399 T CB 1.979 70.838 68.868 -0.014 0.000 0.950 399 T HN -0.167 8.072 8.240 -0.011 -0.005 0.441 400 A N 3.986 126.805 122.820 -0.002 0.000 2.462 400 A HA -0.081 nan 4.320 nan 0.000 0.243 400 A C 0.158 177.740 177.584 -0.004 0.000 1.076 400 A CA 0.770 52.807 52.037 -0.000 0.000 0.773 400 A CB 0.037 19.041 19.000 0.007 0.000 1.010 400 A HN 0.316 8.466 8.150 -0.001 0.000 0.493 401 N N -2.426 116.267 118.700 -0.012 0.000 2.800 401 N HA -0.425 nan 4.740 nan 0.000 0.250 401 N C -1.541 173.955 175.510 -0.023 0.000 1.078 401 N CA 1.189 54.232 53.050 -0.012 0.000 0.804 401 N CB -1.515 36.980 38.487 0.014 0.000 1.135 401 N HN 0.268 8.533 8.380 -0.016 0.105 0.565 402 V N -8.416 111.475 119.914 -0.038 0.000 2.709 402 V HA 0.786 nan 4.120 nan 0.000 0.308 402 V C -2.171 173.883 176.094 -0.068 0.000 1.062 402 V CA -2.298 59.980 62.300 -0.038 0.000 0.901 402 V CB 3.082 34.893 31.823 -0.021 0.000 1.003 402 V HN -0.603 7.512 8.190 -0.036 0.054 0.425 403 I N 4.166 124.684 120.570 -0.087 0.000 2.474 403 I HA 0.464 nan 4.170 nan 0.000 0.294 403 I C -1.912 174.188 176.117 -0.028 0.000 1.005 403 I CA -1.826 59.416 61.300 -0.095 0.000 1.113 403 I CB 3.730 41.595 38.000 -0.225 0.000 1.289 403 I HN 0.711 8.881 8.210 -0.068 0.000 0.436 404 T N 9.162 123.721 114.554 0.010 0.000 2.859 404 T HA 0.545 nan 4.350 nan 0.000 0.281 404 T C -1.942 172.790 174.700 0.053 0.000 1.005 404 T CA -0.811 61.289 62.100 0.001 0.000 1.025 404 T CB 1.870 70.710 68.868 -0.047 0.000 0.977 404 T HN 0.218 8.483 8.240 0.042 0.000 0.458 405 T N 5.891 120.477 114.554 0.052 0.000 2.876 405 T HA 0.967 nan 4.350 nan 0.000 0.289 405 T C -2.370 172.278 174.700 -0.086 0.000 1.014 405 T CA -1.692 60.494 62.100 0.143 0.000 0.986 405 T CB 1.316 70.376 68.868 0.320 0.000 1.021 405 T HN 0.239 8.489 8.240 0.016 0.000 0.458 406 L N 3.976 125.190 121.223 -0.014 0.000 2.510 406 L HA 0.748 nan 4.340 nan 0.000 0.252 406 L C -1.927 175.031 176.870 0.148 0.000 1.091 406 L CA -1.055 53.668 54.840 -0.195 0.000 0.888 406 L CB 4.289 46.257 42.059 -0.152 0.000 1.507 406 L HN 1.015 9.216 8.230 0.136 0.111 0.407 407 I N -0.844 119.805 120.570 0.132 0.000 2.392 407 I HA 0.501 nan 4.170 nan 0.000 0.295 407 I C -1.933 174.180 176.117 -0.006 0.000 0.985 407 I CA -2.506 58.872 61.300 0.130 0.000 1.221 407 I CB 1.589 39.704 38.000 0.191 0.000 1.366 407 I HN 0.203 8.437 8.210 0.040 0.000 0.467 408 K N 8.045 128.327 120.400 -0.198 0.000 2.371 408 K HA 0.433 nan 4.320 nan 0.000 0.251 408 K C -1.736 174.664 176.600 -0.334 0.000 0.934 408 K CA -2.138 53.984 56.287 -0.274 0.000 0.798 408 K CB 3.409 35.679 32.500 -0.384 0.000 1.204 408 K HN 0.870 8.816 8.250 -0.333 0.105 0.427 409 E N 2.857 122.926 120.200 -0.218 0.000 2.313 409 E HA 0.412 nan 4.350 nan 0.000 0.272 409 E C -1.202 175.146 176.600 -0.419 0.000 1.038 409 E CA -0.751 55.413 56.400 -0.394 0.000 0.863 409 E CB 1.161 30.659 29.700 -0.336 0.000 1.060 409 E HN 0.280 8.552 8.360 -0.147 0.000 0.402 410 S N 1.420 116.723 115.700 -0.662 0.000 2.607 410 S HA 0.415 nan 4.470 nan 0.000 0.273 410 S C -2.102 172.001 174.600 -0.827 0.000 1.148 410 S CA -1.088 56.717 58.200 -0.659 0.000 0.833 410 S CB 2.827 65.651 63.200 -0.626 0.000 1.130 410 S HN 0.762 8.565 8.310 -0.846 0.000 0.470 411 L N 1.548 122.504 121.223 -0.446 0.000 2.370 411 L HA 0.873 nan 4.340 nan 0.000 0.266 411 L C -1.650 175.209 176.870 -0.018 0.000 1.002 411 L CA -1.331 53.368 54.840 -0.235 0.000 0.818 411 L CB 3.402 45.386 42.059 -0.125 0.000 1.325 411 L HN 0.289 8.338 8.230 -0.303 0.000 0.418 412 L N 1.864 123.157 121.223 0.116 0.000 2.365 412 L HA 0.456 nan 4.340 nan 0.000 0.273 412 L C -2.205 174.707 176.870 0.069 0.000 1.000 412 L CA -1.426 53.503 54.840 0.148 0.000 0.819 412 L CB 4.409 46.593 42.059 0.208 0.000 1.284 412 L HN 0.853 9.034 8.230 0.104 0.111 0.418 413 E N 5.088 125.314 120.200 0.043 0.000 2.115 413 E HA 0.310 nan 4.350 nan 0.000 0.282 413 E C 0.038 176.646 176.600 0.014 0.000 0.987 413 E CA -0.598 55.813 56.400 0.018 0.000 0.797 413 E CB 0.722 30.430 29.700 0.014 0.000 1.086 413 E HN 0.334 8.722 8.360 0.046 0.000 0.397 414 L N 5.882 127.104 121.223 -0.001 0.000 2.240 414 L HA -0.100 nan 4.340 nan 0.000 0.211 414 L C 1.516 178.352 176.870 -0.056 0.000 1.106 414 L CA 2.306 57.146 54.840 -0.000 0.000 0.793 414 L CB -0.025 42.049 42.059 0.026 0.000 0.927 414 L HN 0.871 9.101 8.230 -0.000 0.000 0.446 415 S N -1.036 114.578 115.700 -0.143 0.000 2.387 415 S HA -0.409 nan 4.470 nan 0.000 0.230 415 S C 1.514 175.898 174.600 -0.359 0.000 1.035 415 S CA 3.155 61.209 58.200 -0.242 0.000 1.014 415 S CB -0.262 62.678 63.200 -0.433 0.000 0.836 415 S HN -0.052 8.179 8.310 -0.133 0.000 0.466 416 H N -1.137 117.759 119.070 -0.290 0.000 2.389 416 H HA -0.102 nan 4.556 nan 0.000 0.299 416 H C 1.724 176.876 175.328 -0.293 0.000 1.081 416 H CA 2.779 58.575 56.048 -0.419 0.000 1.345 416 H CB 0.046 29.421 29.762 -0.646 0.000 1.393 416 H HN -0.073 7.982 8.280 -0.346 0.017 0.520 417 G N -3.040 105.701 108.800 -0.098 0.000 2.394 417 G HA2 -0.107 nan 3.960 nan 0.000 0.215 417 G HA3 -0.107 nan 3.960 nan 0.000 0.215 417 G C -0.564 174.259 174.900 -0.129 0.000 1.165 417 G CA 0.959 45.977 45.100 -0.136 0.000 0.784 417 G HN -0.294 7.963 8.290 -0.056 0.000 0.535 418 I N -5.286 115.243 120.570 -0.068 0.000 2.797 418 I HA 0.454 nan 4.170 nan 0.000 0.307 418 I C -1.929 174.184 176.117 -0.008 0.000 1.033 418 I CA -3.539 57.743 61.300 -0.030 0.000 1.071 418 I CB 2.314 40.325 38.000 0.018 0.000 1.255 418 I HN -0.630 7.546 8.210 -0.057 0.000 0.445 419 N N 2.609 121.302 118.700 -0.011 0.000 2.434 419 N HA -0.193 nan 4.740 nan 0.000 0.268 419 N C -0.430 175.036 175.510 -0.075 0.000 1.256 419 N CA 0.713 53.735 53.050 -0.047 0.000 0.914 419 N CB -0.270 38.172 38.487 -0.076 0.000 1.088 419 N HN 0.015 8.391 8.380 -0.006 0.000 0.478 420 F N 1.136 121.070 119.950 -0.026 0.000 2.163 420 F HA -0.018 nan 4.527 nan 0.000 0.297 420 F C 0.188 175.979 175.800 -0.014 0.000 1.094 420 F CA 0.285 58.261 58.000 -0.040 0.000 1.290 420 F CB -0.032 38.920 39.000 -0.079 0.000 1.017 420 F HN -0.308 8.147 8.300 0.258 0.000 0.483 421 G N 0.336 108.614 108.800 -0.871 0.000 2.531 421 G HA2 -0.545 nan 3.960 nan 0.000 0.274 421 G HA3 -0.545 nan 3.960 nan 0.000 0.274 421 G C 0.548 175.397 174.900 -0.086 0.000 1.159 421 G CA 1.072 45.921 45.100 -0.419 0.000 0.969 421 G HN -0.392 6.971 8.290 -1.753 -0.125 0.554 422 T N 0.971 115.536 114.554 0.020 0.000 2.857 422 T HA -0.088 nan 4.350 nan 0.000 0.266 422 T C 0.631 175.415 174.700 0.140 0.000 1.048 422 T CA 0.596 62.747 62.100 0.085 0.000 1.139 422 T CB -0.082 68.813 68.868 0.045 0.000 0.874 422 T HN 0.608 8.839 8.240 -0.015 0.000 0.455 423 D N 1.968 122.451 120.400 0.138 0.000 2.443 423 D HA -0.063 nan 4.640 nan 0.000 0.239 423 D C 0.192 176.555 176.300 0.106 0.000 1.136 423 D CA -0.044 54.020 54.000 0.106 0.000 0.879 423 D CB -0.191 40.657 40.800 0.079 0.000 1.195 423 D HN -0.705 7.740 8.370 0.125 0.000 0.443 424 Q N 2.643 122.459 119.800 0.027 0.000 2.079 424 Q HA -0.192 nan 4.340 nan 0.000 0.200 424 Q C 0.187 176.132 176.000 -0.091 0.000 0.974 424 Q CA 3.266 59.045 55.803 -0.041 0.000 0.840 424 Q CB 0.967 29.682 28.738 -0.039 0.000 0.898 424 Q HN -0.054 8.232 8.270 0.026 0.000 0.430 425 S N -4.758 110.912 115.700 -0.051 0.000 2.537 425 S HA 0.386 nan 4.470 nan 0.000 0.271 425 S C -2.714 171.870 174.600 -0.027 0.000 1.148 425 S CA -0.408 57.748 58.200 -0.072 0.000 0.868 425 S CB 2.147 65.300 63.200 -0.078 0.000 1.115 425 S HN -0.533 7.768 8.310 -0.016 0.000 0.461 426 V N -0.191 119.709 119.914 -0.023 0.000 2.444 426 V HA 0.826 nan 4.120 nan 0.000 0.294 426 V C -1.850 174.244 176.094 0.001 0.000 1.022 426 V CA -2.478 59.824 62.300 0.003 0.000 0.850 426 V CB 1.744 33.582 31.823 0.024 0.000 0.992 426 V HN 0.057 8.219 8.190 -0.048 0.000 0.426 427 K N 4.746 125.150 120.400 0.006 0.000 2.318 427 K HA 0.844 nan 4.320 nan 0.000 0.249 427 K C -2.273 174.343 176.600 0.027 0.000 0.942 427 K CA -2.464 53.829 56.287 0.011 0.000 0.808 427 K CB 3.489 35.983 32.500 -0.010 0.000 1.189 427 K HN 0.098 8.353 8.250 0.008 0.000 0.428 428 V N 1.905 121.853 119.914 0.056 0.000 2.513 428 V HA 0.624 nan 4.120 nan 0.000 0.299 428 V C -2.244 173.888 176.094 0.063 0.000 1.035 428 V CA -2.848 59.500 62.300 0.080 0.000 0.889 428 V CB 3.252 35.155 31.823 0.133 0.000 0.988 428 V HN 0.684 8.916 8.190 0.071 0.000 0.440 429 K N 9.264 129.666 120.400 0.004 0.000 2.183 429 K HA 0.732 nan 4.320 nan 0.000 0.274 429 K C -1.858 174.685 176.600 -0.094 0.000 1.009 429 K CA -1.364 54.837 56.287 -0.144 0.000 0.888 429 K CB 2.300 34.702 32.500 -0.164 0.000 1.078 429 K HN 0.898 9.067 8.250 0.030 0.099 0.459 430 Y N 2.945 123.153 120.300 -0.153 0.000 2.638 430 Y HA 0.462 nan 4.550 nan 0.000 0.339 430 Y C -2.353 173.375 175.900 -0.286 0.000 1.084 430 Y CA -2.616 55.419 58.100 -0.108 0.000 1.068 430 Y CB 2.273 40.757 38.460 0.039 0.000 1.294 430 Y HN 0.972 8.607 8.280 -0.885 0.114 0.480 431 H N -1.135 118.110 119.070 0.291 0.000 2.622 431 H HA 0.775 nan 4.556 nan 0.000 0.363 431 H C -0.501 174.981 175.328 0.256 0.000 1.151 431 H CA -1.677 54.443 56.048 0.120 0.000 1.184 431 H CB 3.700 33.505 29.762 0.071 0.000 1.643 431 H HN 0.199 8.785 8.280 0.511 0.000 0.531 432 H N -2.104 117.121 119.070 0.259 0.000 3.008 432 H HA 0.323 nan 4.556 nan 0.000 0.354 432 H C -2.246 173.177 175.328 0.159 0.000 1.252 432 H CA -2.147 54.003 56.048 0.170 0.000 1.117 432 H CB 2.664 32.391 29.762 -0.059 0.000 1.857 432 H HN 0.827 8.947 8.280 -0.266 0.000 0.547 433 L N -0.920 120.546 121.223 0.405 0.000 2.417 433 L HA 0.294 nan 4.340 nan 0.000 0.268 433 L C -0.494 176.672 176.870 0.493 0.000 1.158 433 L CA 0.280 55.335 54.840 0.358 0.000 0.819 433 L CB 0.876 43.119 42.059 0.307 0.000 1.112 433 L HN 0.333 8.857 8.230 0.490 0.000 0.458 434 D N 3.489 124.097 120.400 0.345 0.000 2.599 434 D HA 0.327 nan 4.640 nan 0.000 0.252 434 D C -2.515 173.911 176.300 0.211 0.000 1.232 434 D CA -1.031 53.138 54.000 0.283 0.000 0.819 434 D CB 3.877 44.785 40.800 0.181 0.000 1.401 434 D HN 0.727 9.279 8.370 0.304 0.000 0.429 435 H N -2.233 116.914 119.070 0.129 0.000 2.946 435 H HA 0.744 nan 4.556 nan 0.000 0.365 435 H C -1.478 173.845 175.328 -0.007 0.000 1.197 435 H CA -2.115 53.972 56.048 0.065 0.000 1.131 435 H CB 3.007 32.823 29.762 0.089 0.000 1.849 435 H HN 0.015 8.096 8.280 -0.332 0.000 0.555 436 E N 0.996 121.280 120.200 0.140 0.000 2.390 436 E HA 0.129 nan 4.350 nan 0.000 0.261 436 E C -1.413 175.231 176.600 0.072 0.000 1.076 436 E CA -2.374 54.058 56.400 0.054 0.000 0.905 436 E CB 0.984 30.719 29.700 0.058 0.000 0.984 436 E HN 0.214 8.684 8.360 0.184 0.000 0.427 437 P HA 0.097 nan 4.420 nan 0.000 0.275 437 P C -2.400 174.912 177.300 0.018 0.000 1.228 437 P CA 0.189 63.175 63.100 -0.191 0.000 0.786 437 P CB 0.572 32.366 31.700 0.158 0.000 0.927 438 F N -4.068 115.929 119.950 0.077 0.000 2.711 438 F HA 0.651 nan 4.527 nan 0.000 0.313 438 F C -2.170 173.559 175.800 -0.119 0.000 1.141 438 F CA -2.240 55.722 58.000 -0.063 0.000 0.941 438 F CB 2.265 41.156 39.000 -0.182 0.000 1.349 438 F HN -0.497 7.451 8.300 -0.586 0.000 0.464 439 T N -1.416 113.166 114.554 0.048 0.000 2.901 439 T HA 0.785 nan 4.350 nan 0.000 0.293 439 T C -2.120 172.476 174.700 -0.173 0.000 1.084 439 T CA -1.943 60.093 62.100 -0.107 0.000 1.008 439 T CB 3.155 71.996 68.868 -0.045 0.000 1.170 439 T HN 0.266 8.581 8.240 0.125 0.000 0.509 440 Y N 0.343 120.731 120.300 0.146 0.000 2.429 440 Y HA 0.610 nan 4.550 nan 0.000 0.342 440 Y C -1.772 174.154 175.900 0.042 0.000 1.004 440 Y CA -2.021 56.145 58.100 0.110 0.000 1.075 440 Y CB 3.297 41.830 38.460 0.121 0.000 1.214 440 Y HN 0.574 8.904 8.280 0.084 0.000 0.455 441 N N 1.878 120.689 118.700 0.185 0.000 2.448 441 N HA 0.459 nan 4.740 nan 0.000 0.279 441 N C -2.211 173.338 175.510 0.064 0.000 1.025 441 N CA -0.755 52.346 53.050 0.085 0.000 0.898 441 N CB 2.980 41.495 38.487 0.046 0.000 1.303 441 N HN 0.602 9.103 8.380 0.201 0.000 0.495 442 I N 6.654 127.236 120.570 0.018 0.000 2.406 442 I HA 0.589 nan 4.170 nan 0.000 0.290 442 I C -2.310 173.784 176.117 -0.039 0.000 0.999 442 I CA -2.383 58.909 61.300 -0.013 0.000 1.124 442 I CB 3.079 41.054 38.000 -0.041 0.000 1.289 442 I HN 0.578 8.783 8.210 -0.007 0.000 0.441 443 V N 9.775 129.674 119.914 -0.026 0.000 2.407 443 V HA 0.528 nan 4.120 nan 0.000 0.278 443 V C -1.549 174.529 176.094 -0.027 0.000 1.037 443 V CA -0.875 61.410 62.300 -0.024 0.000 0.900 443 V CB 0.456 32.273 31.823 -0.010 0.000 0.983 443 V HN 0.612 8.792 8.190 -0.017 0.000 0.459 444 V N 7.615 127.513 119.914 -0.025 0.000 2.735 444 V HA 0.582 nan 4.120 nan 0.000 0.310 444 V C -2.071 174.024 176.094 0.002 0.000 1.061 444 V CA -1.865 60.425 62.300 -0.016 0.000 0.913 444 V CB 3.627 35.436 31.823 -0.023 0.000 1.005 444 V HN 0.924 8.994 8.190 -0.024 0.106 0.428 445 E N 5.608 125.814 120.200 0.010 0.000 2.133 445 E HA 0.321 nan 4.350 nan 0.000 0.274 445 E C -2.038 174.578 176.600 0.027 0.000 0.930 445 E CA -2.212 54.197 56.400 0.014 0.000 0.770 445 E CB 2.504 32.209 29.700 0.008 0.000 1.104 445 E HN 0.733 9.099 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 0.273 nan 4.740 nan 0.000 0.236 446 N C 0.587 176.109 175.510 0.020 0.000 0.999 446 N CA -1.575 51.499 53.050 0.040 0.000 0.935 446 N CB 0.528 39.041 38.487 0.043 0.000 1.132 446 N HN 0.247 8.641 8.380 0.023 0.000 0.511 447 N N 7.618 126.323 118.700 0.009 0.000 2.270 447 N HA -0.163 nan 4.740 nan 0.000 0.181 447 N C 0.480 175.984 175.510 -0.010 0.000 1.016 447 N CA 1.891 54.937 53.050 -0.006 0.000 0.870 447 N CB 0.100 38.575 38.487 -0.019 0.000 0.979 447 N HN 0.837 9.132 8.380 0.014 0.093 0.431 448 S N 0.887 116.580 115.700 -0.010 0.000 2.589 448 S HA 0.016 nan 4.470 nan 0.000 0.265 448 S C 1.327 175.926 174.600 -0.002 0.000 1.342 448 S CA 0.451 58.643 58.200 -0.013 0.000 1.005 448 S CB 0.844 64.037 63.200 -0.011 0.000 0.909 448 S HN -0.332 8.200 8.310 -0.001 -0.223 0.555 449 G N -0.861 107.938 108.800 -0.002 0.000 2.421 449 G HA2 -0.167 nan 3.960 nan 0.000 0.217 449 G HA3 -0.167 nan 3.960 nan 0.000 0.217 449 G C -1.099 173.804 174.900 0.005 0.000 1.143 449 G CA 0.415 45.516 45.100 0.001 0.000 0.784 449 G HN 0.415 8.701 8.290 -0.007 0.000 0.541 450 A N -0.580 122.246 122.820 0.010 0.000 2.288 450 A HA 0.282 nan 4.320 nan 0.000 0.328 450 A C -1.714 175.872 177.584 0.004 0.000 1.123 450 A CA -1.056 50.988 52.037 0.012 0.000 0.861 450 A CB 2.136 21.151 19.000 0.025 0.000 1.272 450 A HN -0.820 7.298 8.150 0.011 0.039 0.490 451 E N -0.388 119.800 120.200 -0.020 0.000 2.373 451 E HA -0.064 nan 4.350 nan 0.000 0.267 451 E C -0.977 175.554 176.600 -0.114 0.000 1.032 451 E CA 0.478 56.833 56.400 -0.076 0.000 0.889 451 E CB 0.594 30.221 29.700 -0.122 0.000 0.984 451 E HN 0.100 8.453 8.360 -0.012 0.000 0.425 452 K N 1.289 121.609 120.400 -0.133 0.000 2.295 452 K HA 0.446 nan 4.320 nan 0.000 0.239 452 K C -1.447 174.965 176.600 -0.314 0.000 0.991 452 K CA -2.544 53.698 56.287 -0.075 0.000 0.845 452 K CB 3.336 35.955 32.500 0.197 0.000 1.197 452 K HN 0.696 8.772 8.250 -0.115 0.104 0.441 453 H N -0.351 118.771 119.070 0.087 0.000 2.547 453 H HA 0.814 nan 4.556 nan 0.000 0.342 453 H C -0.668 174.609 175.328 -0.085 0.000 1.048 453 H CA -0.981 55.107 56.048 0.067 0.000 1.204 453 H CB 2.528 32.596 29.762 0.510 0.000 1.493 453 H HN 0.474 8.873 8.280 0.197 0.000 0.511 454 S N 2.614 118.156 115.700 -0.264 0.000 2.570 454 S HA 0.634 nan 4.470 nan 0.000 0.286 454 S C -1.151 173.323 174.600 -0.210 0.000 1.099 454 S CA -1.607 56.433 58.200 -0.267 0.000 0.913 454 S CB 2.519 65.513 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 3.544 118.038 114.554 -0.100 0.000 2.749 455 T HA 0.476 nan 4.350 nan 0.000 0.287 455 T C -0.956 173.591 174.700 -0.255 0.000 0.970 455 T CA -0.006 62.051 62.100 -0.073 0.000 0.980 455 T CB 0.730 69.628 68.868 0.049 0.000 0.924 455 T HN 0.232 8.396 8.240 -0.127 0.000 0.456 456 V N 8.112 127.702 119.914 -0.540 0.000 2.439 456 V HA 0.509 nan 4.120 nan 0.000 0.282 456 V C -1.284 174.544 176.094 -0.444 0.000 1.039 456 V CA -0.885 61.048 62.300 -0.611 0.000 0.913 456 V CB 0.828 32.002 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 6.022 126.417 120.500 -0.175 0.000 2.480 457 R HA 0.855 nan 4.340 nan 0.000 0.306 457 R C -1.477 174.844 176.300 0.035 0.000 0.958 457 R CA -1.446 54.656 56.100 0.003 0.000 0.861 457 R CB 2.676 33.140 30.300 0.274 0.000 1.171 457 R HN 0.943 9.126 8.270 -0.145 0.000 0.445 458 I N 2.924 123.437 120.570 -0.096 0.000 2.498 458 I HA 0.677 nan 4.170 nan 0.000 0.290 458 I C -1.714 174.289 176.117 -0.191 0.000 1.032 458 I CA -0.981 60.283 61.300 -0.061 0.000 1.073 458 I CB 3.127 40.998 38.000 -0.216 0.000 1.251 458 I HN 0.753 8.836 8.210 -0.211 0.000 0.426 459 F N 4.957 125.050 119.950 0.239 0.000 2.620 459 F HA 0.804 nan 4.527 nan 0.000 0.320 459 F C -2.205 173.749 175.800 0.257 0.000 1.069 459 F CA -1.559 56.590 58.000 0.247 0.000 0.953 459 F CB 4.554 43.697 39.000 0.238 0.000 1.322 459 F HN 0.581 9.189 8.300 0.514 0.000 0.479 460 L N 0.523 121.993 121.223 0.413 0.000 2.386 460 L HA 0.858 nan 4.340 nan 0.000 0.271 460 L C -2.499 174.534 176.870 0.272 0.000 0.993 460 L CA -1.684 53.332 54.840 0.293 0.000 0.819 460 L CB 4.190 46.309 42.059 0.100 0.000 1.294 460 L HN 0.637 9.102 8.230 0.392 0.000 0.414 461 A N 4.724 127.673 122.820 0.215 0.000 2.515 461 A HA 0.759 nan 4.320 nan 0.000 0.298 461 A C -3.600 174.008 177.584 0.041 0.000 1.059 461 A CA -2.764 49.193 52.037 -0.134 0.000 0.698 461 A CB 2.344 20.755 19.000 -0.981 0.000 1.289 461 A HN 0.799 9.125 8.150 0.294 0.000 0.404 462 P HA 0.088 nan 4.420 nan 0.000 0.271 462 P C -1.124 175.986 177.300 -0.318 0.000 1.216 462 P CA -0.547 62.363 63.100 -0.316 0.000 0.771 462 P CB 0.455 31.988 31.700 -0.278 0.000 0.864 463 K N 1.022 121.202 120.400 -0.366 0.000 2.076 463 K HA -0.075 nan 4.320 nan 0.000 0.204 463 K C 0.125 176.450 176.600 -0.458 0.000 1.051 463 K CA 2.277 58.343 56.287 -0.370 0.000 0.949 463 K CB 1.058 33.303 32.500 -0.426 0.000 0.726 463 K HN -0.117 7.830 8.250 -0.506 0.000 0.443 464 Y N -4.539 115.608 120.300 -0.255 0.000 2.310 464 Y HA -0.019 nan 4.550 nan 0.000 0.326 464 Y C -0.241 175.555 175.900 -0.172 0.000 1.151 464 Y CA 0.688 58.676 58.100 -0.186 0.000 1.195 464 Y CB 0.703 39.058 38.460 -0.176 0.000 1.210 464 Y HN -0.588 7.628 8.280 -0.107 0.000 0.483 465 D N 2.531 122.940 120.400 0.015 0.000 2.496 465 D HA 0.093 nan 4.640 nan 0.000 0.283 465 D C -0.097 176.205 176.300 0.004 0.000 1.214 465 D CA -1.407 52.580 54.000 -0.021 0.000 1.089 465 D CB 1.732 42.507 40.800 -0.040 0.000 1.141 465 D HN -0.372 8.014 8.370 0.027 0.000 0.580 466 E N -1.782 118.408 120.200 -0.017 0.000 2.479 466 E HA 0.027 nan 4.350 nan 0.000 0.193 466 E C -0.194 176.401 176.600 -0.007 0.000 1.049 466 E CA 0.924 57.314 56.400 -0.017 0.000 0.870 466 E CB 0.209 29.894 29.700 -0.026 0.000 0.944 466 E HN 0.320 8.662 8.360 -0.029 0.000 0.492 467 L N -1.240 119.984 121.223 0.001 0.000 2.738 467 L HA 0.232 nan 4.340 nan 0.000 0.178 467 L C 0.607 177.491 176.870 0.023 0.000 1.281 467 L CA 1.181 56.023 54.840 0.003 0.000 0.864 467 L CB -0.460 41.595 42.059 -0.006 0.000 1.224 467 L HN -0.164 7.973 8.230 0.003 0.095 0.520 468 N N -3.431 115.289 118.700 0.034 0.000 3.243 468 N HA 0.029 nan 4.740 nan 0.000 0.280 468 N C -1.871 173.675 175.510 0.060 0.000 1.545 468 N CA -0.875 52.219 53.050 0.074 0.000 0.854 468 N CB 1.833 40.345 38.487 0.042 0.000 1.612 468 N HN -0.526 7.862 8.380 0.014 0.000 0.577 469 N N -0.266 118.456 118.700 0.037 0.000 2.412 469 N HA -0.187 nan 4.740 nan 0.000 0.279 469 N C -1.304 174.087 175.510 -0.198 0.000 1.287 469 N CA 1.336 54.233 53.050 -0.254 0.000 0.948 469 N CB 0.065 38.364 38.487 -0.313 0.000 1.255 469 N HN 0.266 8.713 8.380 0.112 0.000 0.485 470 K N 4.488 124.773 120.400 -0.191 0.000 2.740 470 K HA 0.228 nan 4.320 nan 0.000 0.246 470 K C -1.182 175.344 176.600 -0.124 0.000 1.021 470 K CA -1.167 55.045 56.287 -0.125 0.000 1.021 470 K CB 1.253 33.708 32.500 -0.075 0.000 1.233 470 K HN -0.288 7.829 8.250 -0.223 0.000 0.497 471 L N 6.287 127.443 121.223 -0.112 0.000 2.416 471 L HA 0.030 nan 4.340 nan 0.000 0.243 471 L C -0.989 175.856 176.870 -0.041 0.000 1.373 471 L CA -0.613 54.176 54.840 -0.086 0.000 1.227 471 L CB -1.277 40.748 42.059 -0.057 0.000 1.428 471 L HN 0.697 8.865 8.230 -0.104 0.000 0.425 472 E N 2.201 122.367 120.200 -0.055 0.000 2.052 472 E HA 0.205 nan 4.350 nan 0.000 0.283 472 E C -1.396 175.191 176.600 -0.023 0.000 1.071 472 E CA -2.524 53.859 56.400 -0.029 0.000 0.851 472 E CB 0.017 29.696 29.700 -0.034 0.000 1.066 472 E HN -0.155 8.112 8.360 -0.083 0.043 0.396 473 P HA -0.257 nan 4.420 nan 0.000 0.219 473 P C 0.708 178.021 177.300 0.023 0.000 1.146 473 P CA 2.529 65.651 63.100 0.036 0.000 0.808 473 P CB 0.172 31.876 31.700 0.008 0.000 0.779 474 D N -1.631 118.770 120.400 0.002 0.000 2.097 474 D HA -0.257 nan 4.640 nan 0.000 0.195 474 D C 2.552 178.849 176.300 -0.005 0.000 0.989 474 D CA 3.093 57.094 54.000 0.002 0.000 0.827 474 D CB -0.380 40.419 40.800 -0.001 0.000 0.966 474 D HN 0.311 8.656 8.370 0.000 0.025 0.456 475 E N -0.526 119.654 120.200 -0.034 0.000 2.106 475 E HA -0.305 nan 4.350 nan 0.000 0.192 475 E C 2.639 179.169 176.600 -0.117 0.000 0.984 475 E CA 2.596 58.957 56.400 -0.065 0.000 0.806 475 E CB -0.107 29.544 29.700 -0.081 0.000 0.750 475 E HN -0.485 7.854 8.360 -0.035 0.000 0.458 476 Q N -1.663 118.047 119.800 -0.150 0.000 2.234 476 Q HA -0.312 nan 4.340 nan 0.000 0.206 476 Q C 2.066 177.856 176.000 -0.351 0.000 0.980 476 Q CA 2.806 58.363 55.803 -0.410 0.000 0.869 476 Q CB -0.362 28.131 28.738 -0.409 0.000 0.912 476 Q HN -0.221 7.879 8.270 -0.084 0.119 0.436 477 R N -1.722 118.811 120.500 0.055 0.000 2.091 477 R HA -0.293 nan 4.340 nan 0.000 0.238 477 R C 1.955 178.283 176.300 0.047 0.000 1.136 477 R CA 2.693 58.903 56.100 0.184 0.000 0.959 477 R CB -0.547 29.838 30.300 0.143 0.000 0.856 477 R HN -0.671 7.498 8.270 0.059 0.136 0.437 478 R N -3.155 117.323 120.500 -0.037 0.000 2.075 478 R HA -0.113 nan 4.340 nan 0.000 0.232 478 R C 2.002 178.237 176.300 -0.109 0.000 1.126 478 R CA 1.481 57.552 56.100 -0.048 0.000 0.963 478 R CB -0.187 30.086 30.300 -0.045 0.000 0.858 478 R HN -0.531 7.714 8.270 -0.042 0.000 0.435 479 L N -1.715 119.377 121.223 -0.219 0.000 2.156 479 L HA -0.186 nan 4.340 nan 0.000 0.208 479 L C 0.613 177.314 176.870 -0.282 0.000 1.095 479 L CA 1.536 56.211 54.840 -0.275 0.000 0.770 479 L CB 0.094 41.904 42.059 -0.415 0.000 0.914 479 L HN -0.740 7.192 8.230 -0.271 0.136 0.439 480 F N -2.570 117.208 119.950 -0.287 0.000 2.608 480 F HA -0.197 nan 4.527 nan 0.000 0.380 480 F C 0.251 176.007 175.800 -0.073 0.000 1.083 480 F CA 1.716 59.520 58.000 -0.326 0.000 1.266 480 F CB 0.153 38.584 39.000 -0.947 0.000 1.076 480 F HN -0.628 7.405 8.300 -0.445 0.000 0.574 481 I N -1.444 119.289 120.570 0.272 0.000 2.530 481 I HA 0.484 nan 4.170 nan 0.000 0.297 481 I C -1.734 174.576 176.117 0.322 0.000 1.011 481 I CA -2.246 59.188 61.300 0.224 0.000 1.107 481 I CB 3.433 41.475 38.000 0.070 0.000 1.285 481 I HN 0.668 9.044 8.210 0.276 0.000 0.436 482 E N 4.767 125.086 120.200 0.198 0.000 2.152 482 E HA 0.133 nan 4.350 nan 0.000 0.285 482 E C -0.246 176.244 176.600 -0.184 0.000 1.043 482 E CA -1.056 55.170 56.400 -0.290 0.000 0.839 482 E CB 1.238 30.871 29.700 -0.112 0.000 1.069 482 E HN -0.209 8.547 8.360 0.257 -0.242 0.399 483 L N 5.938 127.019 121.223 -0.235 0.000 2.095 483 L HA -0.034 nan 4.340 nan 0.000 0.204 483 L C -0.457 176.378 176.870 -0.058 0.000 1.080 483 L CA 1.856 56.662 54.840 -0.057 0.000 0.759 483 L CB 0.442 42.523 42.059 0.036 0.000 0.914 483 L HN 0.449 8.441 8.230 -0.397 0.000 0.439 484 D N -5.455 114.862 120.400 -0.139 0.000 2.720 484 D HA 0.142 nan 4.640 nan 0.000 0.239 484 D C -2.797 173.501 176.300 -0.004 0.000 1.218 484 D CA -0.094 53.905 54.000 -0.001 0.000 0.748 484 D CB 3.285 44.182 40.800 0.162 0.000 1.387 484 D HN -0.635 7.557 8.370 -0.298 0.000 0.438 485 K N 2.256 122.715 120.400 0.100 0.000 2.535 485 K HA 0.761 nan 4.320 nan 0.000 0.250 485 K C -1.915 174.803 176.600 0.198 0.000 0.948 485 K CA -0.578 55.740 56.287 0.052 0.000 0.796 485 K CB 2.989 35.511 32.500 0.036 0.000 1.216 485 K HN -0.259 8.078 8.250 0.146 0.000 0.432 486 F N 1.311 121.287 119.950 0.043 0.000 2.713 486 F HA 0.318 nan 4.527 nan 0.000 0.311 486 F C -3.117 172.761 175.800 0.129 0.000 1.141 486 F CA -1.928 56.122 58.000 0.083 0.000 0.939 486 F CB 1.961 40.999 39.000 0.063 0.000 1.325 486 F HN 0.175 8.181 8.300 -0.491 0.000 0.453 487 F N 0.166 120.230 119.950 0.190 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 0.200 0.000 1.105 487 F CA -1.125 56.898 58.000 0.037 0.000 1.049 487 F CB 2.141 41.037 39.000 -0.173 0.000 1.139 487 F HN -0.199 8.420 8.300 0.532 0.000 0.479 488 Y N 7.541 127.089 120.300 -1.253 0.000 2.562 488 Y HA 0.226 nan 4.550 nan 0.000 0.345 488 Y C -2.466 172.781 175.900 -1.088 0.000 1.045 488 Y CA -0.744 56.881 58.100 -0.791 0.000 1.028 488 Y CB 4.785 43.096 38.460 -0.249 0.000 1.297 488 Y HN 0.718 8.246 8.280 -1.254 0.000 0.463 489 T N 5.379 119.340 114.554 -0.989 0.000 2.823 489 T HA 0.640 nan 4.350 nan 0.000 0.279 489 T C -1.467 173.063 174.700 -0.282 0.000 0.998 489 T CA -0.617 61.158 62.100 -0.542 0.000 0.994 489 T CB 0.943 69.614 68.868 -0.329 0.000 0.960 489 T HN -0.003 7.260 8.240 -1.629 0.000 0.448 490 L N 6.305 127.439 121.223 -0.148 0.000 2.346 490 L HA 0.446 nan 4.340 nan 0.000 0.276 490 L C -0.534 176.310 176.870 -0.043 0.000 1.006 490 L CA -1.419 53.418 54.840 -0.005 0.000 0.817 490 L CB 2.453 44.531 42.059 0.031 0.000 1.272 490 L HN 1.022 8.998 8.230 -0.229 0.117 0.421 491 T N 0.026 114.576 114.554 -0.006 0.000 2.862 491 T HA 0.492 nan 4.350 nan 0.000 0.276 491 T C -2.156 172.546 174.700 0.004 0.000 0.974 491 T CA -3.141 58.952 62.100 -0.013 0.000 0.966 491 T CB -0.484 68.382 68.868 -0.003 0.000 1.072 491 T HN -0.247 8.172 8.240 0.027 -0.163 0.538 492 P HA -0.012 nan 4.420 nan 0.000 0.274 492 P C -0.896 176.410 177.300 0.011 0.000 1.231 492 P CA -0.023 63.082 63.100 0.009 0.000 0.790 492 P CB 0.270 31.973 31.700 0.005 0.000 0.951 493 G N 2.038 110.845 108.800 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 -1.745 173.163 174.900 0.014 0.000 1.331 493 G CA -0.582 44.524 45.100 0.011 0.000 0.891 493 G HN 0.041 8.337 8.290 0.011 0.000 0.539 494 K N 1.089 121.496 120.400 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 56.814 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 0.103 8.360 8.250 0.010 0.000 0.472 495 N N 2.331 121.040 118.700 0.014 0.000 2.242 495 N HA 0.313 nan 4.740 nan 0.000 0.292 495 N C -2.231 173.275 175.510 -0.008 0.000 1.125 495 N CA -0.683 52.380 53.050 0.022 0.000 0.783 495 N CB 5.093 43.610 38.487 0.050 0.000 1.558 495 N HN 0.317 8.701 8.380 0.007 0.000 0.472 496 T N -2.332 112.212 114.554 -0.016 0.000 2.840 496 T HA 0.582 nan 4.350 nan 0.000 0.287 496 T C -0.881 173.748 174.700 -0.119 0.000 0.991 496 T CA -1.435 60.636 62.100 -0.048 0.000 0.964 496 T CB 1.145 70.001 68.868 -0.020 0.000 0.954 496 T HN 0.126 8.372 8.240 0.011 0.000 0.438 497 I N 6.811 127.258 120.570 -0.205 0.000 2.378 497 I HA 0.338 nan 4.170 nan 0.000 0.291 497 I C -1.400 174.612 176.117 -0.176 0.000 0.992 497 I CA -0.852 60.210 61.300 -0.398 0.000 1.154 497 I CB 2.511 40.145 38.000 -0.611 0.000 1.315 497 I HN 0.772 8.784 8.210 -0.145 0.110 0.448 498 V N 7.398 127.228 119.914 -0.139 0.000 2.555 498 V HA 0.554 nan 4.120 nan 0.000 0.302 498 V C -1.248 174.792 176.094 -0.090 0.000 1.038 498 V CA -1.524 60.745 62.300 -0.053 0.000 0.887 498 V CB 1.818 33.622 31.823 -0.031 0.000 0.991 498 V HN 0.281 8.371 8.190 -0.168 0.000 0.434 499 R N 7.738 128.212 120.500 -0.044 0.000 2.725 499 R HA 0.474 nan 4.340 nan 0.000 0.277 499 R C -2.292 173.971 176.300 -0.062 0.000 0.987 499 R CA -2.565 53.445 56.100 -0.150 0.000 0.901 499 R CB 4.147 34.234 30.300 -0.355 0.000 1.207 499 R HN 0.222 8.530 8.270 0.063 0.000 0.463 500 N N 3.486 122.093 118.700 -0.154 0.000 2.466 500 N HA 0.358 nan 4.740 nan 0.000 0.294 500 N C 1.134 176.485 175.510 -0.265 0.000 1.129 500 N CA -1.412 51.512 53.050 -0.210 0.000 0.931 500 N CB 1.481 39.819 38.487 -0.247 0.000 1.193 500 N HN 0.353 8.612 8.380 -0.201 0.000 0.500 501 H N 0.518 119.314 119.070 -0.457 0.000 2.421 501 H HA -0.310 nan 4.556 nan 0.000 0.298 501 H C 2.131 177.314 175.328 -0.241 0.000 1.087 501 H CA 3.719 59.457 56.048 -0.517 0.000 1.330 501 H CB -0.046 28.950 29.762 -1.277 0.000 1.388 501 H HN 0.577 8.591 8.280 -0.443 0.000 0.526 502 Q N -1.156 117.944 119.800 -1.167 0.000 2.135 502 Q HA -0.336 nan 4.340 nan 0.000 0.204 502 Q C 0.792 176.593 176.000 -0.331 0.000 0.981 502 Q CA 2.612 57.946 55.803 -0.782 0.000 0.856 502 Q CB -0.838 27.529 28.738 -0.618 0.000 0.902 502 Q HN 0.341 7.857 8.270 -1.202 0.033 0.425 503 D N -2.560 117.677 120.400 -0.271 0.000 2.310 503 D HA -0.011 nan 4.640 nan 0.000 0.212 503 D C 0.489 176.727 176.300 -0.102 0.000 0.965 503 D CA 0.543 54.440 54.000 -0.172 0.000 0.879 503 D CB 0.166 40.851 40.800 -0.192 0.000 0.921 503 D HN -0.605 7.647 8.370 -0.321 -0.074 0.510 504 S N 0.703 116.366 115.700 -0.062 0.000 2.715 504 S HA -0.353 nan 4.470 nan 0.000 0.318 504 S C 0.804 175.397 174.600 -0.013 0.000 1.242 504 S CA 0.609 58.814 58.200 0.009 0.000 1.044 504 S CB 0.342 63.584 63.200 0.069 0.000 0.760 504 S HN -0.473 7.590 8.310 -0.093 0.191 0.501 505 S N 8.698 124.392 115.700 -0.009 0.000 2.453 505 S HA -0.172 nan 4.470 nan 0.000 0.231 505 S C 1.627 176.166 174.600 -0.102 0.000 1.005 505 S CA 3.259 61.442 58.200 -0.028 0.000 0.949 505 S CB 0.111 63.310 63.200 -0.001 0.000 0.774 505 S HN 0.143 8.762 8.310 0.023 -0.295 0.510 506 V N -6.281 113.518 119.914 -0.192 0.000 2.719 506 V HA 0.047 nan 4.120 nan 0.000 0.252 506 V C -0.525 175.486 176.094 -0.138 0.000 1.065 506 V CA 1.426 63.461 62.300 -0.442 0.000 1.086 506 V CB -0.836 30.616 31.823 -0.619 0.000 0.700 506 V HN -0.630 7.448 8.190 -0.134 0.032 0.467 507 T N -3.842 110.714 114.554 0.002 0.000 2.945 507 T HA 0.535 nan 4.350 nan 0.000 0.286 507 T C -1.406 173.328 174.700 0.058 0.000 1.025 507 T CA -2.694 59.462 62.100 0.093 0.000 1.039 507 T CB 2.422 71.359 68.868 0.114 0.000 1.068 507 T HN -0.711 7.481 8.240 -0.016 0.039 0.497 508 I N 2.296 122.905 120.570 0.066 0.000 2.416 508 I HA 0.065 nan 4.170 nan 0.000 0.288 508 I C 0.001 176.107 176.117 -0.018 0.000 1.051 508 I CA -2.025 59.286 61.300 0.019 0.000 1.375 508 I CB 1.744 39.761 38.000 0.028 0.000 1.407 508 I HN 0.126 8.388 8.210 0.086 0.000 0.516 509 S N 9.408 125.074 115.700 -0.057 0.000 2.383 509 S HA -0.227 nan 4.470 nan 0.000 0.227 509 S C -0.142 174.414 174.600 -0.072 0.000 1.026 509 S CA 2.359 60.517 58.200 -0.069 0.000 0.981 509 S CB 0.464 63.609 63.200 -0.093 0.000 0.818 509 S HN 0.421 8.942 8.310 -0.070 -0.253 0.472 510 K N -1.361 118.974 120.400 -0.108 0.000 2.589 510 K HA -0.008 nan 4.320 nan 0.000 0.265 510 K C -2.312 174.206 176.600 -0.136 0.000 0.935 510 K CA -0.059 56.170 56.287 -0.097 0.000 0.850 510 K CB 2.162 34.604 32.500 -0.096 0.000 1.372 510 K HN -0.805 7.358 8.250 -0.146 0.000 0.420 511 V N 2.082 121.953 119.914 -0.072 0.000 2.417 511 V HA 0.181 nan 4.120 nan 0.000 0.291 511 V C -0.797 175.297 176.094 -0.000 0.000 1.024 511 V CA -1.828 60.440 62.300 -0.054 0.000 0.861 511 V CB 1.518 33.331 31.823 -0.017 0.000 0.985 511 V HN 0.104 8.270 8.190 -0.040 0.000 0.436 512 R N 6.828 127.373 120.500 0.076 0.000 2.390 512 R HA 0.170 nan 4.340 nan 0.000 0.291 512 R C -0.115 176.216 176.300 0.052 0.000 1.070 512 R CA -0.791 55.370 56.100 0.101 0.000 1.014 512 R CB 0.230 30.659 30.300 0.215 0.000 1.007 512 R HN 0.045 8.400 8.270 0.142 0.000 0.466 513 T N 1.903 116.478 114.554 0.035 0.000 2.868 513 T HA 0.205 nan 4.350 nan 0.000 0.292 513 T C 0.970 175.693 174.700 0.038 0.000 1.028 513 T CA -0.763 61.355 62.100 0.030 0.000 1.059 513 T CB 1.655 70.547 68.868 0.040 0.000 0.991 513 T HN 0.047 8.309 8.240 0.037 0.000 0.531 514 F N 5.563 125.378 119.950 -0.224 0.000 2.192 514 F HA -0.380 nan 4.527 nan 0.000 0.301 514 F C 1.267 176.942 175.800 -0.208 0.000 1.079 514 F CA 3.458 61.248 58.000 -0.349 0.000 1.303 514 F CB 0.205 38.681 39.000 -0.874 0.000 1.024 514 F HN 0.364 9.016 8.300 0.057 -0.318 0.494 515 D N -1.990 118.506 120.400 0.160 0.000 2.092 515 D HA -0.340 nan 4.640 nan 0.000 0.193 515 D C 2.494 178.845 176.300 0.084 0.000 0.994 515 D CA 3.470 57.555 54.000 0.141 0.000 0.828 515 D CB -0.754 40.116 40.800 0.115 0.000 0.963 515 D HN -0.433 8.019 8.370 0.123 -0.008 0.450 516 Q N -0.795 119.037 119.800 0.054 0.000 2.030 516 Q HA -0.294 nan 4.340 nan 0.000 0.204 516 Q C 2.968 178.975 176.000 0.012 0.000 0.986 516 Q CA 2.790 58.612 55.803 0.032 0.000 0.843 516 Q CB 0.110 28.868 28.738 0.033 0.000 0.904 516 Q HN -0.586 7.627 8.270 0.055 0.090 0.420 517 L N -1.341 119.874 121.223 -0.014 0.000 2.129 517 L HA -0.316 nan 4.340 nan 0.000 0.212 517 L C 2.182 179.020 176.870 -0.053 0.000 1.087 517 L CA 2.244 57.034 54.840 -0.082 0.000 0.757 517 L CB -0.779 41.166 42.059 -0.189 0.000 0.896 517 L HN 0.277 8.505 8.230 -0.004 0.000 0.434 518 G N -2.094 106.722 108.800 0.027 0.000 2.450 518 G HA2 -0.308 nan 3.960 nan 0.000 0.220 518 G HA3 -0.308 nan 3.960 nan 0.000 0.220 518 G C -0.208 174.709 174.900 0.028 0.000 1.130 518 G CA 0.971 46.110 45.100 0.065 0.000 0.760 518 G HN -0.066 8.052 8.290 0.067 0.212 0.557 519 A N 1.140 123.968 122.820 0.014 0.000 2.109 519 A HA 0.266 nan 4.320 nan 0.000 0.220 519 A C -0.413 177.161 177.584 -0.017 0.000 1.613 519 A CA 0.343 52.381 52.037 0.002 0.000 0.620 519 A CB 1.171 20.174 19.000 0.006 0.000 1.212 519 A HN -0.204 7.826 8.150 0.018 0.130 0.508 520 G N -1.847 106.939 108.800 -0.023 0.000 2.194 520 G HA2 -0.099 nan 3.960 nan 0.000 0.178 520 G HA3 -0.099 nan 3.960 nan 0.000 0.178 520 G C -1.813 173.072 174.900 -0.026 0.000 2.173 520 G CA -0.488 44.589 45.100 -0.039 0.000 1.042 520 G HN 0.016 8.297 8.290 -0.015 0.000 0.588 521 E N 0.958 121.146 120.200 -0.020 0.000 2.405 521 E HA 0.361 nan 4.350 nan 0.000 0.249 521 E C -0.825 175.781 176.600 0.010 0.000 1.028 521 E CA -0.683 55.720 56.400 0.006 0.000 0.897 521 E CB 1.454 31.175 29.700 0.036 0.000 1.262 521 E HN 0.078 8.417 8.360 -0.034 0.000 0.442 522 G N -0.319 108.499 108.800 0.030 0.000 4.566 522 G HA2 0.151 nan 3.960 nan 0.000 0.276 522 G HA3 0.151 nan 3.960 nan 0.000 0.276 522 G C -1.392 173.531 174.900 0.039 0.000 1.248 522 G CA 0.291 45.404 45.100 0.022 0.000 0.858 522 G HN 0.221 8.533 8.290 0.038 0.000 0.549 523 V N -0.045 119.925 119.914 0.094 0.000 2.374 523 V HA -0.107 nan 4.120 nan 0.000 0.241 523 V C -0.205 175.936 176.094 0.078 0.000 1.034 523 V CA 1.727 64.073 62.300 0.077 0.000 1.037 523 V CB 0.402 32.279 31.823 0.089 0.000 0.682 523 V HN 0.364 8.639 8.190 0.142 0.000 0.463 524 S N -0.877 114.902 115.700 0.132 0.000 4.572 524 S HA -0.098 nan 4.470 nan 0.000 0.234 524 S C -1.719 172.899 174.600 0.029 0.000 1.071 524 S CA 0.254 58.485 58.200 0.051 0.000 1.087 524 S CB 0.358 63.572 63.200 0.024 0.000 1.979 524 S HN -0.317 8.156 8.310 0.272 0.000 0.503 525 E N 1.386 121.580 120.200 -0.009 0.000 2.646 525 E HA 0.247 nan 4.350 nan 0.000 0.336 525 E C -1.842 174.717 176.600 -0.070 0.000 1.027 525 E CA 0.295 56.638 56.400 -0.095 0.000 0.765 525 E CB 1.712 31.337 29.700 -0.125 0.000 1.545 525 E HN -0.166 8.198 8.360 0.007 0.000 0.382 526 D N 2.864 123.244 120.400 -0.034 0.000 3.093 526 D HA 0.464 nan 4.640 nan 0.000 0.200 526 D C -0.757 175.509 176.300 -0.056 0.000 1.344 526 D CA -0.797 53.183 54.000 -0.032 0.000 1.133 526 D CB 3.017 43.819 40.800 0.002 0.000 1.188 526 D HN 0.094 8.456 8.370 -0.014 0.000 0.583 527 S N -0.703 114.976 115.700 -0.035 0.000 3.865 527 S HA 0.207 nan 4.470 nan 0.000 0.182 527 S C 1.744 176.326 174.600 -0.030 0.000 1.141 527 S CA 1.037 59.200 58.200 -0.062 0.000 1.257 527 S CB 0.711 63.865 63.200 -0.077 0.000 1.779 527 S HN 0.051 8.352 8.310 -0.015 0.000 0.816 528 T N 4.109 118.647 114.554 -0.027 0.000 2.951 528 T HA -0.149 nan 4.350 nan 0.000 0.268 528 T C 1.290 175.957 174.700 -0.054 0.000 1.073 528 T CA 4.457 66.570 62.100 0.022 0.000 1.134 528 T CB -0.212 68.707 68.868 0.087 0.000 0.884 528 T HN 0.547 8.757 8.240 -0.051 0.000 0.479 529 E N 0.306 120.471 120.200 -0.059 0.000 2.274 529 E HA -0.255 nan 4.350 nan 0.000 0.194 529 E C 1.857 178.413 176.600 -0.072 0.000 0.996 529 E CA 1.875 58.231 56.400 -0.074 0.000 0.840 529 E CB -1.427 28.249 29.700 -0.041 0.000 0.772 529 E HN -0.099 8.199 8.360 -0.059 0.027 0.491 530 Y N 2.652 122.861 120.300 -0.151 0.000 2.029 530 Y HA -0.508 nan 4.550 nan 0.000 0.269 530 Y C -0.218 175.616 175.900 -0.109 0.000 1.201 530 Y CA 3.593 61.622 58.100 -0.118 0.000 1.115 530 Y CB 0.124 38.512 38.460 -0.120 0.000 0.945 530 Y HN -0.329 7.792 8.280 0.065 0.198 0.497 531 C N -7.467 111.743 119.300 -0.151 0.000 3.730 531 C HA 0.239 nan 4.460 nan 0.000 0.397 531 C C 0.649 175.543 174.990 -0.160 0.000 1.468 531 C CA -2.245 56.594 59.018 -0.299 0.000 1.931 531 C CB 0.153 27.792 27.740 -0.168 0.000 2.773 531 C HN 0.283 8.531 8.230 0.029 0.000 0.692 532 S N 2.631 118.186 115.700 -0.242 0.000 2.361 532 S HA -0.213 nan 4.470 nan 0.000 0.214 532 S C 0.409 174.900 174.600 -0.181 0.000 1.034 532 S CA 2.576 60.455 58.200 -0.535 0.000 1.025 532 S CB 0.110 62.458 63.200 -1.420 0.000 0.996 532 S HN -0.230 7.939 8.310 -0.234 0.000 0.422 533 C N -0.512 118.704 119.300 -0.140 0.000 2.876 533 C HA -0.104 nan 4.460 nan 0.000 0.276 533 C C 0.148 175.372 174.990 0.391 0.000 1.582 533 C CA 1.443 60.615 59.018 0.256 0.000 2.061 533 C CB 0.484 28.339 27.740 0.192 0.000 2.044 533 C HN -0.319 7.635 8.230 -0.244 0.129 0.647 534 G N -0.590 108.558 108.800 0.580 0.000 2.728 534 G HA2 -0.335 nan 3.960 nan 0.000 0.686 534 G HA3 -0.335 nan 3.960 nan 0.000 0.686 534 G C -1.409 173.699 174.900 0.346 0.000 1.337 534 G CA -0.546 44.804 45.100 0.416 0.000 0.861 534 G HN 0.128 8.826 8.290 0.679 0.000 0.597 535 W N 2.040 123.321 121.300 -0.032 0.000 2.190 535 W HA 0.033 nan 4.660 nan 0.000 0.330 535 W C -1.318 175.158 176.519 -0.072 0.000 1.299 535 W CA -1.765 55.488 57.345 -0.153 0.000 1.215 535 W CB 1.178 30.684 29.460 0.075 0.000 1.147 535 W HN 0.644 8.978 8.180 0.415 0.095 0.563 536 P HA -0.175 nan 4.420 nan 0.000 0.265 536 P C -1.001 176.144 177.300 -0.260 0.000 1.193 536 P CA 0.344 63.241 63.100 -0.339 0.000 0.765 536 P CB 0.379 31.731 31.700 -0.581 0.000 0.823 537 E N 4.042 124.180 120.200 -0.104 0.000 2.077 537 E HA -0.398 nan 4.350 nan 0.000 0.193 537 E C 2.041 178.677 176.600 0.059 0.000 0.989 537 E CA 3.459 59.887 56.400 0.047 0.000 0.800 537 E CB 0.050 29.796 29.700 0.076 0.000 0.746 537 E HN 0.718 9.039 8.360 -0.065 0.000 0.452 538 H N -3.335 115.761 119.070 0.043 0.000 2.421 538 H HA -0.168 nan 4.556 nan 0.000 0.298 538 H C 1.800 177.279 175.328 0.251 0.000 1.087 538 H CA 2.417 58.512 56.048 0.078 0.000 1.330 538 H CB -0.740 29.060 29.762 0.064 0.000 1.388 538 H HN 0.225 8.460 8.280 -0.075 0.000 0.526 539 M N -1.996 117.521 119.600 -0.139 0.000 2.630 539 M HA -0.093 nan 4.480 nan 0.000 0.254 539 M C 1.707 178.216 176.300 0.350 0.000 1.092 539 M CA -0.382 54.975 55.300 0.095 0.000 1.087 539 M CB -1.532 30.968 32.600 -0.167 0.000 1.453 539 M HN -0.701 7.173 8.290 -0.615 0.047 0.509 540 L N -0.026 121.424 121.223 0.378 0.000 2.043 540 L HA -0.276 nan 4.340 nan 0.000 0.212 540 L C -0.455 176.537 176.870 0.204 0.000 1.075 540 L CA 2.944 57.994 54.840 0.351 0.000 0.752 540 L CB 0.231 42.532 42.059 0.403 0.000 0.891 540 L HN -0.511 7.773 8.230 0.385 0.176 0.432 541 I N -4.511 116.121 120.570 0.103 0.000 2.797 541 I HA 0.211 nan 4.170 nan 0.000 0.307 541 I C -2.429 173.708 176.117 0.035 0.000 1.033 541 I CA -3.667 57.608 61.300 -0.041 0.000 1.071 541 I CB 0.702 38.556 38.000 -0.243 0.000 1.255 541 I HN -0.557 7.759 8.210 0.188 0.008 0.445 542 P HA 0.120 nan 4.420 nan 0.000 0.272 542 P C -1.253 176.063 177.300 0.026 0.000 1.240 542 P CA -0.600 62.497 63.100 -0.005 0.000 0.791 542 P CB 0.640 32.272 31.700 -0.113 0.000 0.978 543 R N 0.607 121.164 120.500 0.096 0.000 2.081 543 R HA -0.316 nan 4.340 nan 0.000 0.235 543 R C 0.645 177.002 176.300 0.096 0.000 1.131 543 R CA 1.527 57.651 56.100 0.041 0.000 0.960 543 R CB 0.685 30.854 30.300 -0.219 0.000 0.856 543 R HN -0.136 8.467 8.270 0.161 -0.236 0.436 544 G N -2.129 106.749 108.800 0.130 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 -1.005 173.987 174.900 0.154 0.000 1.312 544 G CA -0.321 44.913 45.100 0.223 0.000 0.896 544 G HN -0.666 7.706 8.290 0.137 0.000 0.574 545 S N -0.556 115.244 115.700 0.167 0.000 2.685 545 S HA 0.307 nan 4.470 nan 0.000 0.282 545 S C 0.206 174.923 174.600 0.195 0.000 1.159 545 S CA -1.581 56.710 58.200 0.151 0.000 0.833 545 S CB 2.843 66.094 63.200 0.085 0.000 1.151 545 S HN -0.401 8.018 8.310 0.181 0.000 0.485 546 H N 4.138 123.288 119.070 0.134 0.000 2.421 546 H HA -0.225 nan 4.556 nan 0.000 0.298 546 H C -0.559 174.809 175.328 0.067 0.000 1.087 546 H CA 3.207 59.324 56.048 0.115 0.000 1.330 546 H CB 0.335 30.145 29.762 0.081 0.000 1.388 546 H HN 0.703 9.155 8.280 0.285 0.000 0.526 547 K N -5.612 114.870 120.400 0.137 0.000 2.211 547 K HA -0.182 nan 4.320 nan 0.000 0.203 547 K C 0.157 176.767 176.600 0.016 0.000 1.050 547 K CA 0.303 56.628 56.287 0.063 0.000 0.945 547 K CB -0.143 32.374 32.500 0.028 0.000 0.732 547 K HN -0.222 8.118 8.250 0.169 0.012 0.451 548 G N 0.830 109.650 108.800 0.033 0.000 2.894 548 G HA2 -0.326 nan 3.960 nan 0.000 0.263 548 G HA3 -0.326 nan 3.960 nan 0.000 0.263 548 G C -1.389 173.548 174.900 0.061 0.000 1.013 548 G CA -0.534 44.594 45.100 0.046 0.000 1.226 548 G HN -0.424 7.718 8.290 0.059 0.183 0.563 549 M N 2.111 121.777 119.600 0.110 0.000 2.243 549 M HA -0.045 nan 4.480 nan 0.000 0.341 549 M C -1.495 174.876 176.300 0.119 0.000 1.130 549 M CA 0.537 55.875 55.300 0.063 0.000 1.162 549 M CB 2.197 34.854 32.600 0.096 0.000 1.497 549 M HN 0.082 8.470 8.290 0.163 0.000 0.456 550 E N 3.236 123.451 120.200 0.025 0.000 2.227 550 E HA 0.546 nan 4.350 nan 0.000 0.282 550 E C -0.935 175.546 176.600 -0.199 0.000 1.015 550 E CA -0.180 56.267 56.400 0.078 0.000 0.823 550 E CB 1.323 31.136 29.700 0.190 0.000 1.081 550 E HN 0.225 8.594 8.360 0.015 0.000 0.396 551 F N 3.084 123.069 119.950 0.058 0.000 2.576 551 F HA 0.540 nan 4.527 nan 0.000 0.313 551 F C -1.595 174.229 175.800 0.040 0.000 1.078 551 F CA -1.374 56.644 58.000 0.030 0.000 0.921 551 F CB 4.359 43.370 39.000 0.019 0.000 1.232 551 F HN 0.594 9.072 8.300 0.297 0.000 0.459 552 E N 1.532 121.861 120.200 0.214 0.000 2.313 552 E HA 0.432 nan 4.350 nan 0.000 0.276 552 E C -1.837 174.933 176.600 0.284 0.000 1.031 552 E CA -0.829 55.698 56.400 0.212 0.000 0.857 552 E CB 2.400 32.224 29.700 0.206 0.000 1.040 552 E HN 0.817 9.177 8.360 0.154 0.093 0.408 553 L N 6.905 128.280 121.223 0.252 0.000 2.305 553 L HA 0.639 nan 4.340 nan 0.000 0.284 553 L C -2.268 174.775 176.870 0.288 0.000 1.013 553 L CA -0.795 54.190 54.840 0.241 0.000 0.819 553 L CB 2.349 44.502 42.059 0.157 0.000 1.227 553 L HN 0.402 8.657 8.230 0.210 0.101 0.417 554 F N 9.499 129.564 119.950 0.192 0.000 2.482 554 F HA 0.674 nan 4.527 nan 0.000 0.331 554 F C -2.407 173.477 175.800 0.140 0.000 1.115 554 F CA -1.925 56.188 58.000 0.189 0.000 0.955 554 F CB 3.546 42.708 39.000 0.271 0.000 1.136 554 F HN 0.766 9.327 8.300 0.435 0.000 0.452 555 V N 8.467 128.014 119.914 -0.611 0.000 2.588 555 V HA 0.721 nan 4.120 nan 0.000 0.304 555 V C -2.532 173.138 176.094 -0.706 0.000 1.042 555 V CA -1.436 60.598 62.300 -0.443 0.000 0.877 555 V CB 2.945 34.603 31.823 -0.276 0.000 0.996 555 V HN 0.991 8.692 8.190 -0.816 0.000 0.425 556 M N 5.554 124.935 119.600 -0.365 0.000 2.457 556 M HA 0.856 nan 4.480 nan 0.000 0.300 556 M C -2.647 173.577 176.300 -0.126 0.000 1.141 556 M CA -1.289 53.869 55.300 -0.236 0.000 0.901 556 M CB 4.399 37.018 32.600 0.031 0.000 1.687 556 M HN 0.670 8.852 8.290 -0.180 0.000 0.449 557 L N 5.234 126.393 121.223 -0.106 0.000 2.346 557 L HA 0.690 nan 4.340 nan 0.000 0.276 557 L C -1.708 175.098 176.870 -0.106 0.000 1.006 557 L CA -0.749 54.009 54.840 -0.137 0.000 0.817 557 L CB 1.945 43.907 42.059 -0.162 0.000 1.272 557 L HN 0.435 8.610 8.230 -0.092 0.000 0.421 558 T N 2.242 116.694 114.554 -0.169 0.000 2.916 558 T HA 0.343 nan 4.350 nan 0.000 0.292 558 T C -1.922 172.543 174.700 -0.391 0.000 1.064 558 T CA -1.675 60.333 62.100 -0.154 0.000 1.011 558 T CB 3.250 72.104 68.868 -0.024 0.000 1.152 558 T HN -0.006 8.114 8.240 -0.201 0.000 0.510 559 D N 1.180 121.372 120.400 -0.346 0.000 2.358 559 D HA 0.043 nan 4.640 nan 0.000 0.258 559 D C 0.399 176.662 176.300 -0.061 0.000 1.223 559 D CA -0.534 53.269 54.000 -0.328 0.000 0.886 559 D CB 0.552 41.480 40.800 0.212 0.000 1.120 559 D HN 0.379 8.701 8.370 -0.080 0.000 0.482 560 H N 8.656 127.699 119.070 -0.046 0.000 2.389 560 H HA -0.331 nan 4.556 nan 0.000 0.299 560 H C 1.726 177.080 175.328 0.043 0.000 1.081 560 H CA 4.081 60.178 56.048 0.082 0.000 1.345 560 H CB 0.633 30.614 29.762 0.364 0.000 1.393 560 H HN 0.246 8.572 8.280 0.075 0.000 0.520 561 D N -0.533 119.939 120.400 0.121 0.000 2.123 561 D HA -0.262 nan 4.640 nan 0.000 0.196 561 D C 1.792 178.057 176.300 -0.059 0.000 0.992 561 D CA 3.118 57.138 54.000 0.034 0.000 0.833 561 D CB -0.498 40.367 40.800 0.108 0.000 0.954 561 D HN -0.110 8.682 8.370 0.220 -0.290 0.455 562 E N -0.884 119.297 120.200 -0.031 0.000 2.047 562 E HA -0.221 nan 4.350 nan 0.000 0.191 562 E C 1.270 177.790 176.600 -0.132 0.000 0.987 562 E CA 2.191 58.557 56.400 -0.057 0.000 0.799 562 E CB 0.232 29.915 29.700 -0.027 0.000 0.752 562 E HN -0.481 7.891 8.360 0.023 0.003 0.449 563 D N -2.055 118.230 120.400 -0.193 0.000 2.144 563 D HA -0.137 nan 4.640 nan 0.000 0.199 563 D C 0.254 176.383 176.300 -0.284 0.000 0.984 563 D CA 1.862 55.725 54.000 -0.229 0.000 0.834 563 D CB 0.441 41.109 40.800 -0.221 0.000 0.955 563 D HN -0.470 7.736 8.370 -0.166 0.065 0.465 564 T N -0.958 113.320 114.554 -0.459 0.000 2.899 564 T HA 0.067 nan 4.350 nan 0.000 0.284 564 T C -0.020 174.564 174.700 -0.193 0.000 1.004 564 T CA 0.084 61.963 62.100 -0.368 0.000 1.043 564 T CB 0.853 69.434 68.868 -0.478 0.000 1.013 564 T HN -0.298 7.596 8.240 -0.576 0.000 0.518 565 V N -0.161 119.678 119.914 -0.126 0.000 2.834 565 V HA 0.397 nan 4.120 nan 0.000 0.313 565 V C -1.028 175.026 176.094 -0.066 0.000 1.060 565 V CA -2.900 59.356 62.300 -0.073 0.000 0.989 565 V CB 1.369 33.169 31.823 -0.038 0.000 1.041 565 V HN 0.113 8.227 8.190 -0.127 0.000 0.459 566 A N 2.204 124.996 122.820 -0.046 0.000 2.325 566 A HA 0.572 nan 4.320 nan 0.000 0.333 566 A C -0.630 176.938 177.584 -0.026 0.000 1.155 566 A CA -0.395 51.617 52.037 -0.041 0.000 0.814 566 A CB 1.623 20.602 19.000 -0.035 0.000 1.206 566 A HN 0.371 8.499 8.150 -0.037 0.000 0.482 567 G N -1.079 107.706 108.800 -0.025 0.000 2.322 567 G HA2 0.082 nan 3.960 nan 0.000 0.295 567 G HA3 0.082 nan 3.960 nan 0.000 0.295 567 G C -1.970 172.919 174.900 -0.017 0.000 1.369 567 G CA -0.203 44.888 45.100 -0.015 0.000 0.821 567 G HN -0.124 8.147 8.290 -0.032 0.000 0.536 568 L N 0.833 122.049 121.223 -0.011 0.000 2.415 568 L HA 0.406 nan 4.340 nan 0.000 0.268 568 L C -0.483 176.382 176.870 -0.008 0.000 0.984 568 L CA 0.216 55.049 54.840 -0.012 0.000 0.853 568 L CB 1.001 43.054 42.059 -0.010 0.000 1.215 568 L HN 0.256 8.483 8.230 -0.005 0.000 0.419 569 S N 3.638 119.330 115.700 -0.012 0.000 4.225 569 S HA 0.201 nan 4.470 nan 0.000 0.215 569 S C -1.006 173.587 174.600 -0.011 0.000 1.051 569 S CA -0.904 57.291 58.200 -0.009 0.000 1.729 569 S CB 1.026 64.220 63.200 -0.010 0.000 0.892 569 S HN 0.344 8.643 8.310 -0.018 0.000 0.720 570 E N 1.246 121.437 120.200 -0.014 0.000 2.405 570 E HA 0.179 nan 4.350 nan 0.000 0.249 570 E C -0.867 175.722 176.600 -0.018 0.000 1.028 570 E CA -0.679 55.712 56.400 -0.014 0.000 0.897 570 E CB 1.535 31.227 29.700 -0.013 0.000 1.262 570 E HN 0.143 8.494 8.360 -0.015 0.000 0.442 571 N N -0.894 117.795 118.700 -0.018 0.000 2.235 571 N HA -0.106 nan 4.740 nan 0.000 0.231 571 N C -1.204 174.295 175.510 -0.020 0.000 1.330 571 N CA -0.075 52.963 53.050 -0.019 0.000 0.898 571 N CB 0.450 38.927 38.487 -0.017 0.000 1.151 571 N HN -0.104 8.267 8.380 -0.016 0.000 0.472 572 A N -0.838 121.970 122.820 -0.020 0.000 2.505 572 A HA -0.013 nan 4.320 nan 0.000 0.271 572 A C -1.426 176.149 177.584 -0.016 0.000 1.112 572 A CA 0.533 52.558 52.037 -0.020 0.000 0.781 572 A CB 0.026 19.014 19.000 -0.020 0.000 1.059 572 A HN 0.152 8.290 8.150 -0.020 0.000 0.508 573 V N 3.109 123.013 119.914 -0.016 0.000 3.528 573 V HA 0.304 nan 4.120 nan 0.000 0.301 573 V C -0.788 175.299 176.094 -0.012 0.000 1.332 573 V CA -2.176 60.117 62.300 -0.011 0.000 1.004 573 V CB 3.680 35.494 31.823 -0.014 0.000 1.222 573 V HN -0.132 8.047 8.190 -0.018 0.000 0.478 574 C N 2.141 121.436 119.300 -0.010 0.000 2.551 574 C HA 0.215 nan 4.460 nan 0.000 0.378 574 C C 0.255 175.241 174.990 -0.008 0.000 1.101 574 C CA 0.265 59.275 59.018 -0.013 0.000 1.360 574 C CB -2.860 24.875 27.740 -0.007 0.000 1.895 574 C HN 0.092 8.317 8.230 -0.008 0.000 0.540 575 S N 6.551 122.243 115.700 -0.013 0.000 2.679 575 S HA 0.082 nan 4.470 nan 0.000 0.258 575 S C 0.919 175.515 174.600 -0.008 0.000 1.068 575 S CA 0.909 59.102 58.200 -0.010 0.000 1.115 575 S CB 1.360 64.548 63.200 -0.020 0.000 1.078 575 S HN 0.442 8.712 8.310 -0.021 0.027 0.603 576 D N 3.907 124.298 120.400 -0.016 0.000 2.370 576 D HA -0.356 nan 4.640 nan 0.000 0.190 576 D C -0.298 175.999 176.300 -0.005 0.000 1.019 576 D CA 2.967 56.955 54.000 -0.020 0.000 0.869 576 D CB -0.024 40.752 40.800 -0.039 0.000 0.944 576 D HN 0.371 8.726 8.370 -0.025 0.000 0.456 577 A N -3.278 119.553 122.820 0.019 0.000 2.462 577 A HA 0.224 nan 4.320 nan 0.000 0.261 577 A C 1.185 178.820 177.584 0.086 0.000 1.323 577 A CA -0.524 51.546 52.037 0.054 0.000 0.913 577 A CB -0.307 18.759 19.000 0.111 0.000 1.028 577 A HN -0.183 7.966 8.150 0.018 0.012 0.511 578 V N -2.894 117.047 119.914 0.046 0.000 2.370 578 V HA -0.541 nan 4.120 nan 0.000 0.252 578 V C 1.924 178.094 176.094 0.127 0.000 1.068 578 V CA 3.419 65.746 62.300 0.046 0.000 1.061 578 V CB -1.346 30.436 31.823 -0.069 0.000 0.656 578 V HN -0.199 7.918 8.190 0.017 0.083 0.455 579 S N 2.110 117.850 115.700 0.066 0.000 2.374 579 S HA -0.343 nan 4.470 nan 0.000 0.227 579 S C 2.095 176.935 174.600 0.400 0.000 1.037 579 S CA 3.908 62.178 58.200 0.117 0.000 1.024 579 S CB -0.051 63.046 63.200 -0.172 0.000 0.861 579 S HN -0.455 7.820 8.310 -0.013 0.027 0.456 580 Y N -1.340 119.169 120.300 0.348 0.000 2.558 580 Y HA 0.160 nan 4.550 nan 0.000 0.273 580 Y C 1.552 177.759 175.900 0.511 0.000 1.100 580 Y CA 0.184 58.535 58.100 0.418 0.000 1.276 580 Y CB -0.002 38.658 38.460 0.335 0.000 1.196 580 Y HN -0.719 7.681 8.280 0.235 0.020 0.527 581 C N -3.783 115.875 119.300 0.598 0.000 2.504 581 C HA 0.095 nan 4.460 nan 0.000 0.279 581 C C 0.323 175.564 174.990 0.418 0.000 1.358 581 C CA 1.886 61.204 59.018 0.500 0.000 1.747 581 C CB -0.078 27.888 27.740 0.376 0.000 2.037 581 C HN -0.320 8.201 8.230 0.484 0.000 0.503 582 G N -1.143 107.891 108.800 0.390 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 -2.393 172.594 174.900 0.145 0.000 1.345 582 G CA -0.587 44.715 45.100 0.336 0.000 0.877 582 G HN -0.347 8.033 8.290 0.365 0.129 0.549 583 A N -0.245 122.625 122.820 0.083 0.000 2.380 583 A HA 0.306 nan 4.320 nan 0.000 0.315 583 A C -0.915 176.674 177.584 0.008 0.000 1.101 583 A CA -1.552 50.497 52.037 0.020 0.000 0.771 583 A CB 2.585 21.573 19.000 -0.019 0.000 1.287 583 A HN 0.221 8.443 8.150 0.121 0.000 0.436 584 R N 2.162 122.651 120.500 -0.018 0.000 2.484 584 R HA -0.286 nan 4.340 nan 0.000 0.293 584 R C -0.160 176.123 176.300 -0.029 0.000 1.023 584 R CA 0.946 57.019 56.100 -0.045 0.000 1.037 584 R CB -0.254 30.020 30.300 -0.045 0.000 0.951 584 R HN 0.336 8.598 8.270 -0.014 0.000 0.418 585 D N 3.962 124.342 120.400 -0.035 0.000 2.701 585 D HA -0.290 nan 4.640 nan 0.000 0.235 585 D C -1.635 174.669 176.300 0.007 0.000 1.155 585 D CA 1.545 55.543 54.000 -0.003 0.000 0.649 585 D CB -0.444 40.364 40.800 0.013 0.000 1.050 585 D HN 0.242 8.573 8.370 -0.066 0.000 0.425 586 D N -1.920 118.486 120.400 0.010 0.000 2.570 586 D HA 0.241 nan 4.640 nan 0.000 0.244 586 D C -1.774 174.551 176.300 0.042 0.000 1.178 586 D CA -1.174 52.836 54.000 0.016 0.000 0.881 586 D CB 2.377 43.177 40.800 -0.001 0.000 1.453 586 D HN -0.782 7.583 8.370 0.008 0.009 0.447 587 R N 2.899 123.425 120.500 0.043 0.000 2.582 587 R HA 0.012 nan 4.340 nan 0.000 0.271 587 R C -0.774 175.583 176.300 0.095 0.000 1.078 587 R CA -0.189 55.958 56.100 0.079 0.000 1.127 587 R CB 1.094 31.430 30.300 0.061 0.000 1.038 587 R HN 0.391 8.677 8.270 0.026 0.000 0.500 588 Y N 3.888 124.207 120.300 0.032 0.000 2.632 588 Y HA -0.066 nan 4.550 nan 0.000 0.329 588 Y C -1.714 174.190 175.900 0.007 0.000 1.174 588 Y CA -1.578 56.540 58.100 0.030 0.000 1.469 588 Y CB 1.002 39.479 38.460 0.028 0.000 1.242 588 Y HN 0.242 8.683 8.280 0.268 0.000 0.540 589 P HA -0.083 nan 4.420 nan 0.000 0.239 589 P C -1.991 175.188 177.300 -0.202 0.000 1.184 589 P CA 0.773 63.710 63.100 -0.271 0.000 0.760 589 P CB 0.239 31.777 31.700 -0.271 0.000 0.884 590 D N -3.559 116.770 120.400 -0.118 0.000 2.505 590 D HA 0.094 nan 4.640 nan 0.000 0.249 590 D C -0.970 175.393 176.300 0.105 0.000 1.082 590 D CA -1.602 52.410 54.000 0.020 0.000 0.839 590 D CB 2.267 43.133 40.800 0.111 0.000 1.317 590 D HN -0.938 7.349 8.370 -0.024 0.068 0.497 591 K N 3.916 124.305 120.400 -0.018 0.000 2.097 591 K HA -0.205 nan 4.320 nan 0.000 0.205 591 K C 1.002 177.560 176.600 -0.070 0.000 1.050 591 K CA 1.246 57.508 56.287 -0.041 0.000 0.938 591 K CB 0.512 32.958 32.500 -0.091 0.000 0.718 591 K HN 0.293 8.396 8.250 -0.075 0.102 0.442 592 K N -0.937 119.390 120.400 -0.123 0.000 2.380 592 K HA -0.183 nan 4.320 nan 0.000 0.267 592 K C -0.360 176.191 176.600 -0.081 0.000 0.990 592 K CA -0.023 56.131 56.287 -0.222 0.000 0.946 592 K CB 0.329 32.591 32.500 -0.396 0.000 0.937 592 K HN -0.609 7.858 8.250 -0.116 -0.287 0.491 593 A N 1.103 123.888 122.820 -0.058 0.000 2.483 593 A HA 0.111 nan 4.320 nan 0.000 0.238 593 A C 0.362 177.975 177.584 0.048 0.000 1.070 593 A CA 0.298 52.342 52.037 0.012 0.000 0.770 593 A CB 0.455 19.505 19.000 0.084 0.000 1.008 593 A HN 0.208 8.288 8.150 -0.118 0.000 0.497 594 M N 2.673 122.243 119.600 -0.051 0.000 2.246 594 M HA -0.334 nan 4.480 nan 0.000 0.350 594 M C 0.715 177.057 176.300 0.069 0.000 1.406 594 M CA 2.250 57.425 55.300 -0.208 0.000 1.089 594 M CB -0.022 32.191 32.600 -0.646 0.000 1.782 594 M HN -0.194 8.291 8.290 -0.059 -0.231 0.457 595 G N 0.921 109.840 108.800 0.198 0.000 2.176 595 G HA2 -0.304 nan 3.960 nan 0.000 0.232 595 G HA3 -0.304 nan 3.960 nan 0.000 0.232 595 G C -0.722 174.291 174.900 0.188 0.000 0.986 595 G CA -0.445 44.895 45.100 0.398 0.000 0.643 595 G HN 0.268 8.650 8.290 0.153 0.000 0.522 596 F N 3.318 123.279 119.950 0.017 0.000 2.602 596 F HA -0.034 nan 4.527 nan 0.000 0.367 596 F C -2.195 173.425 175.800 -0.301 0.000 1.126 596 F CA -0.965 56.945 58.000 -0.150 0.000 1.321 596 F CB 1.125 40.040 39.000 -0.142 0.000 1.094 596 F HN -0.520 7.908 8.300 0.321 0.065 0.594 597 P HA -0.049 nan 4.420 nan 0.000 0.245 597 P C 0.020 176.637 177.300 -1.138 0.000 1.212 597 P CA 0.987 62.935 63.100 -1.921 0.000 0.774 597 P CB -0.071 30.578 31.700 -1.751 0.000 0.999 598 F N -0.816 118.757 119.950 -0.627 0.000 2.407 598 F HA -0.339 nan 4.527 nan 0.000 0.299 598 F C 0.525 176.235 175.800 -0.151 0.000 1.097 598 F CA 2.876 60.592 58.000 -0.474 0.000 1.422 598 F CB -0.930 37.742 39.000 -0.548 0.000 1.067 598 F HN -0.049 7.629 8.300 -0.899 0.083 0.539 599 D N -2.834 117.638 120.400 0.120 0.000 2.178 599 D HA -0.318 nan 4.640 nan 0.000 0.201 599 D C 0.369 176.758 176.300 0.150 0.000 0.980 599 D CA 2.178 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 8.384 8.370 0.066 0.049 0.472 600 R N -1.588 119.003 120.500 0.152 0.000 2.691 600 R HA 0.156 nan 4.340 nan 0.000 0.259 600 R C -0.360 175.954 176.300 0.024 0.000 1.048 600 R CA -1.210 54.913 56.100 0.040 0.000 1.086 600 R CB 1.500 31.697 30.300 -0.172 0.000 1.166 600 R HN -0.894 7.532 8.270 0.260 0.000 0.526 601 K N 0.910 121.314 120.400 0.005 0.000 2.436 601 K HA -0.112 nan 4.320 nan 0.000 0.275 601 K C -0.659 175.952 176.600 0.018 0.000 0.999 601 K CA 0.521 56.813 56.287 0.010 0.000 0.980 601 K CB 0.383 32.886 32.500 0.004 0.000 0.919 601 K HN 0.261 8.506 8.250 -0.009 0.000 0.484 602 I N 5.011 125.585 120.570 0.007 0.000 2.362 602 I HA -0.048 nan 4.170 nan 0.000 0.289 602 I C -0.783 175.371 176.117 0.062 0.000 0.994 602 I CA -0.687 60.629 61.300 0.027 0.000 1.158 602 I CB 1.018 38.962 38.000 -0.094 0.000 1.315 602 I HN 0.136 8.346 8.210 0.001 0.000 0.451 603 E N 7.045 127.310 120.200 0.108 0.000 2.106 603 E HA -0.183 nan 4.350 nan 0.000 0.192 603 E C -0.226 176.422 176.600 0.081 0.000 0.984 603 E CA 1.866 58.316 56.400 0.084 0.000 0.806 603 E CB 0.443 30.198 29.700 0.090 0.000 0.750 603 E HN 0.380 8.836 8.360 0.160 0.000 0.458 604 A N -3.001 119.889 122.820 0.118 0.000 2.407 604 A HA 0.046 nan 4.320 nan 0.000 0.248 604 A C 0.634 178.260 177.584 0.071 0.000 1.082 604 A CA 0.307 52.406 52.037 0.103 0.000 0.785 604 A CB 0.543 19.634 19.000 0.151 0.000 1.020 604 A HN -0.408 7.820 8.150 0.172 0.026 0.489 605 R N -0.192 120.340 120.500 0.052 0.000 2.090 605 R HA -0.143 nan 4.340 nan 0.000 0.228 605 R C -0.008 176.312 176.300 0.034 0.000 1.110 605 R CA 1.307 57.427 56.100 0.033 0.000 0.973 605 R CB 0.311 30.625 30.300 0.023 0.000 0.869 605 R HN 0.474 8.776 8.270 0.054 0.000 0.440 606 T N -3.998 110.587 114.554 0.052 0.000 2.908 606 T HA 0.289 nan 4.350 nan 0.000 0.290 606 T C -0.619 174.138 174.700 0.095 0.000 1.034 606 T CA -2.119 60.013 62.100 0.054 0.000 1.010 606 T CB 2.794 71.689 68.868 0.044 0.000 1.068 606 T HN -0.934 7.344 8.240 0.064 0.000 0.481 607 A N 4.972 127.851 122.820 0.100 0.000 1.933 607 A HA -0.168 nan 4.320 nan 0.000 0.218 607 A C 1.604 179.310 177.584 0.203 0.000 1.175 607 A CA 3.101 55.229 52.037 0.152 0.000 0.628 607 A CB -0.186 18.912 19.000 0.163 0.000 0.814 607 A HN 0.431 8.622 8.150 0.069 0.000 0.444 608 A N -2.280 120.631 122.820 0.151 0.000 1.940 608 A HA -0.270 nan 4.320 nan 0.000 0.219 608 A C 2.376 180.043 177.584 0.139 0.000 1.176 608 A CA 2.739 54.862 52.037 0.144 0.000 0.631 608 A CB -0.640 18.416 19.000 0.093 0.000 0.814 608 A HN -0.340 7.857 8.150 0.114 0.021 0.446 609 E N -1.887 118.389 120.200 0.126 0.000 2.153 609 E HA -0.319 nan 4.350 nan 0.000 0.194 609 E C 1.050 177.715 176.600 0.110 0.000 0.988 609 E CA 1.950 58.409 56.400 0.098 0.000 0.811 609 E CB -0.190 29.563 29.700 0.087 0.000 0.746 609 E HN -0.562 7.758 8.360 0.122 0.114 0.466 610 F N -2.741 117.231 119.950 0.036 0.000 2.186 610 F HA -0.225 nan 4.527 nan 0.000 0.299 610 F C -0.288 175.532 175.800 0.033 0.000 1.090 610 F CA 1.413 59.425 58.000 0.020 0.000 1.307 610 F CB 0.624 39.618 39.000 -0.009 0.000 1.019 610 F HN -0.680 7.644 8.300 0.310 0.162 0.489 611 L N -1.015 120.290 121.223 0.136 0.000 2.525 611 L HA -0.128 nan 4.340 nan 0.000 0.278 611 L C 0.388 177.221 176.870 -0.061 0.000 1.218 611 L CA 0.857 55.757 54.840 0.101 0.000 0.878 611 L CB -0.150 42.002 42.059 0.155 0.000 1.127 611 L HN -0.709 7.497 8.230 0.213 0.153 0.492 612 T N -0.363 114.148 114.554 -0.072 0.000 2.910 612 T HA 0.477 nan 4.350 nan 0.000 0.279 612 T C -0.607 174.078 174.700 -0.024 0.000 0.989 612 T CA -3.108 58.946 62.100 -0.075 0.000 0.968 612 T CB 0.480 69.297 68.868 -0.086 0.000 1.135 612 T HN -0.520 7.712 8.240 -0.014 0.000 0.562 613 P HA -0.030 nan 4.420 nan 0.000 0.223 613 P C -0.753 176.547 177.300 0.000 0.000 1.151 613 P CA 1.934 65.029 63.100 -0.007 0.000 0.787 613 P CB 0.137 31.833 31.700 -0.007 0.000 0.788 614 N N -4.038 114.670 118.700 0.014 0.000 2.327 614 N HA 0.017 nan 4.740 nan 0.000 0.231 614 N C -1.594 173.887 175.510 -0.048 0.000 1.130 614 N CA -0.825 52.235 53.050 0.017 0.000 0.845 614 N CB -0.278 38.266 38.487 0.095 0.000 1.073 614 N HN -0.459 7.890 8.380 0.016 0.041 0.496 615 M N -1.146 118.409 119.600 -0.075 0.000 2.619 615 M HA 0.587 nan 4.480 nan 0.000 0.297 615 M C -1.418 174.762 176.300 -0.200 0.000 1.229 615 M CA -0.415 54.766 55.300 -0.199 0.000 0.860 615 M CB 5.272 37.878 32.600 0.011 0.000 1.741 615 M HN -0.694 7.479 8.290 -0.042 0.093 0.462 616 G N -1.021 107.551 108.800 -0.381 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 -3.576 171.243 174.900 -0.135 0.000 1.436 616 G CA 0.127 45.126 45.100 -0.168 0.000 0.928 616 G HN 0.470 8.278 8.290 -0.804 0.000 0.520 617 L N 0.162 121.414 121.223 0.048 0.000 2.381 617 L HA 0.755 nan 4.340 nan 0.000 0.274 617 L C -0.879 176.052 176.870 0.101 0.000 0.988 617 L CA -0.613 54.315 54.840 0.147 0.000 0.824 617 L CB 3.026 45.231 42.059 0.245 0.000 1.263 617 L HN 0.053 8.316 8.230 0.054 0.000 0.410 618 T N 5.753 120.371 114.554 0.107 0.000 2.824 618 T HA 0.368 nan 4.350 nan 0.000 0.282 618 T C -1.981 172.782 174.700 0.104 0.000 0.993 618 T CA -1.188 60.964 62.100 0.087 0.000 0.967 618 T CB 2.131 71.045 68.868 0.076 0.000 0.960 618 T HN 0.742 8.948 8.240 0.132 0.113 0.441 619 D N 4.556 125.008 120.400 0.086 0.000 2.249 619 D HA 0.650 nan 4.640 nan 0.000 0.246 619 D C -1.026 175.326 176.300 0.087 0.000 1.114 619 D CA -0.927 53.128 54.000 0.091 0.000 0.854 619 D CB 0.491 41.331 40.800 0.066 0.000 1.132 619 D HN 0.057 8.469 8.370 0.071 0.000 0.461 620 I N -4.496 116.140 120.570 0.109 0.000 3.108 620 I HA 0.748 nan 4.170 nan 0.000 0.312 620 I C -1.878 174.314 176.117 0.124 0.000 1.095 620 I CA -2.569 58.781 61.300 0.083 0.000 1.000 620 I CB 3.830 41.855 38.000 0.041 0.000 1.229 620 I HN 0.395 8.693 8.210 0.145 0.000 0.454 621 K N -0.633 119.820 120.400 0.088 0.000 2.259 621 K HA 0.764 nan 4.320 nan 0.000 0.249 621 K C -1.577 175.080 176.600 0.095 0.000 0.942 621 K CA -2.226 54.136 56.287 0.124 0.000 0.816 621 K CB 3.056 35.600 32.500 0.073 0.000 1.155 621 K HN 0.266 8.541 8.250 0.041 0.000 0.428 622 I N 2.699 123.368 120.570 0.165 0.000 2.389 622 I HA 0.528 nan 4.170 nan 0.000 0.288 622 I C -2.039 174.143 176.117 0.110 0.000 0.999 622 I CA -0.985 60.366 61.300 0.084 0.000 1.129 622 I CB 1.941 39.960 38.000 0.033 0.000 1.288 622 I HN 0.699 9.076 8.210 0.279 0.000 0.444 623 K N 5.119 125.555 120.400 0.060 0.000 2.345 623 K HA 0.611 nan 4.320 nan 0.000 0.255 623 K C -1.775 174.873 176.600 0.080 0.000 0.934 623 K CA -2.342 53.973 56.287 0.047 0.000 0.801 623 K CB 2.772 35.242 32.500 -0.051 0.000 1.137 623 K HN 0.568 8.837 8.250 0.031 0.000 0.424 624 F N 4.898 124.847 119.950 -0.003 0.000 2.375 624 F HA 0.341 nan 4.527 nan 0.000 0.333 624 F C -1.648 174.198 175.800 0.076 0.000 1.104 624 F CA -0.964 57.058 58.000 0.037 0.000 1.149 624 F CB 2.662 41.681 39.000 0.031 0.000 1.190 624 F HN 0.545 8.825 8.300 0.251 0.171 0.533 625 H N 7.114 125.538 119.070 -1.076 0.000 2.481 625 H HA 0.309 nan 4.556 nan 0.000 0.333 625 H C -1.222 173.671 175.328 -0.725 0.000 1.066 625 H CA -1.698 53.985 56.048 -0.608 0.000 1.209 625 H CB 3.251 32.747 29.762 -0.443 0.000 1.445 625 H HN 0.333 7.501 8.280 -1.854 0.000 0.488 626 G N 0.000 108.524 108.800 -0.460 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 45.008 45.100 -0.153 0.000 0.502 626 G HN 0.000 8.006 8.290 -0.474 0.000 0.925