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 1eyy_1_D DATA FIRST_RESID 7 DATA SEQUENCE NVFYATNAFT GEALPLAFPV HTEVEVNQAA TAAAKVARDF RRLNNSKRAS DATA SEQUENCE LLRTIASELE ARSDDIIARA HLETALPEVR LTGEIARTAN QLRLFADVVN DATA SEQUENCE SGSYHQAILD TPNPTRAPLP KPDIRRQQIA LGPVAVFGAS NFPLAFSAAG DATA SEQUENCE GDTASALAAG CPVIVKGHTA HPGTSQIVAE CIEQALKQEQ LPQAIFTLLQ DATA SEQUENCE GNQRALGQAL VSHPEIKAVG FTGSVGGGRA LFNLAHERPE PIPFYGELGA DATA SEQUENCE INPTFIFPSA MRAKADLADQ FVASMTMGCG QFCTKPGVVF ALNTPETQAF DATA SEQUENCE IETAQSLIRQ QSPSTLLTPG IRDSYQSQVV SRGSDDGIDV TFSQAESPCV DATA SEQUENCE ASALFVTSSE NWRKHPAWEE EIFGPQSLIV VCENVADMLS LSEMLAGSLT DATA SEQUENCE ATIHATEEDY PQVSQLIPRL EEIAGRLVFN GWPTGVEVGY AMVHGGPYPA DATA SEQUENCE STHSASTSVG AEAIHRWLRP VAYQALPESL LPDSLKAENP LEIARAVDGK DATA SEQUENCE AA 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 7 N HA 0.000 nan 4.740 nan 0.000 0.220 7 N C 0.000 175.535 175.510 0.042 0.000 1.280 7 N CA 0.000 53.073 53.050 0.039 0.000 0.885 7 N CB 0.000 38.513 38.487 0.043 0.000 1.341 8 V N -1.490 118.457 119.914 0.054 0.000 3.160 8 V HA 0.946 5.066 4.120 -0.000 0.000 0.310 8 V C -1.396 174.781 176.094 0.139 0.000 1.181 8 V CA -0.695 61.623 62.300 0.030 0.000 1.047 8 V CB 1.823 33.554 31.823 -0.153 0.000 1.068 8 V HN 0.699 nan 8.190 nan 0.000 0.441 9 F N -0.683 119.152 119.950 -0.193 0.000 2.686 9 F HA 0.908 5.435 4.527 -0.000 0.000 0.311 9 F C -1.936 173.739 175.800 -0.208 0.000 1.128 9 F CA -1.549 56.399 58.000 -0.087 0.000 0.946 9 F CB 1.251 40.264 39.000 0.023 0.000 1.336 9 F HN 0.590 nan 8.300 nan 0.000 0.457 10 Y N 1.241 121.583 120.300 0.071 0.000 2.509 10 Y HA 0.767 5.316 4.550 -0.000 0.000 0.341 10 Y C 0.406 176.386 175.900 0.132 0.000 1.038 10 Y CA -1.047 57.057 58.100 0.008 0.000 1.089 10 Y CB 1.861 40.333 38.460 0.019 0.000 1.241 10 Y HN 1.019 nan 8.280 nan 0.000 0.468 11 A N 0.842 123.849 122.820 0.311 0.000 2.351 11 A HA 0.544 4.864 4.320 -0.000 0.000 0.257 11 A C -0.235 177.474 177.584 0.208 0.000 1.087 11 A CA -0.315 51.864 52.037 0.236 0.000 0.798 11 A CB -0.034 19.090 19.000 0.207 0.000 1.033 11 A HN 0.694 nan 8.150 nan 0.000 0.488 12 T N 2.545 117.192 114.554 0.156 0.000 2.767 12 T HA 0.196 4.545 4.350 -0.000 0.000 0.284 12 T C 0.333 175.075 174.700 0.070 0.000 0.973 12 T CA -0.510 61.656 62.100 0.111 0.000 0.996 12 T CB 0.389 69.314 68.868 0.095 0.000 0.927 12 T HN 0.671 nan 8.240 nan 0.000 0.456 13 N N 2.291 121.031 118.700 0.066 0.000 2.434 13 N HA 0.049 4.789 4.740 -0.000 0.000 0.268 13 N C 1.196 176.706 175.510 -0.001 0.000 1.256 13 N CA -0.181 52.903 53.050 0.057 0.000 0.914 13 N CB 0.950 39.490 38.487 0.088 0.000 1.088 13 N HN 0.737 nan 8.380 nan 0.000 0.478 14 A N 4.254 127.005 122.820 -0.116 0.000 2.070 14 A HA -0.106 4.214 4.320 -0.000 0.000 0.220 14 A C 1.373 178.758 177.584 -0.332 0.000 1.159 14 A CA 1.048 52.918 52.037 -0.279 0.000 0.656 14 A CB -0.392 18.320 19.000 -0.481 0.000 0.800 14 A HN 0.696 nan 8.150 nan 0.000 0.453 15 F N -0.398 119.523 119.950 -0.050 0.000 2.619 15 F HA 0.043 4.570 4.527 -0.000 0.000 0.293 15 F C 2.520 178.308 175.800 -0.021 0.000 1.119 15 F CA 1.484 59.458 58.000 -0.043 0.000 1.445 15 F CB 0.012 38.978 39.000 -0.057 0.000 1.119 15 F HN 0.320 nan 8.300 nan 0.000 0.573 16 T N -5.150 109.495 114.554 0.152 0.000 2.955 16 T HA 0.449 4.799 4.350 -0.000 0.000 0.251 16 T C 1.810 176.543 174.700 0.056 0.000 1.002 16 T CA 0.594 62.750 62.100 0.093 0.000 0.970 16 T CB 0.501 69.417 68.868 0.080 0.000 1.091 16 T HN 0.305 nan 8.240 nan 0.000 0.495 17 G N 1.413 110.241 108.800 0.046 0.000 2.199 17 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.254 17 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.254 17 G C -0.144 174.781 174.900 0.041 0.000 0.982 17 G CA 0.199 45.321 45.100 0.038 0.000 0.632 17 G HN 0.676 nan 8.290 nan 0.000 0.529 18 E N 0.452 120.676 120.200 0.040 0.000 2.314 18 E HA 0.626 4.975 4.350 -0.000 0.000 0.262 18 E C 0.734 177.356 176.600 0.037 0.000 1.093 18 E CA -0.242 56.175 56.400 0.029 0.000 0.908 18 E CB 1.144 30.854 29.700 0.016 0.000 1.091 18 E HN 0.614 nan 8.360 nan 0.000 0.425 19 A N 1.898 124.726 122.820 0.014 0.000 2.445 19 A HA 0.277 4.597 4.320 -0.000 0.000 0.242 19 A C -0.276 177.322 177.584 0.023 0.000 1.075 19 A CA -0.136 51.916 52.037 0.025 0.000 0.777 19 A CB 0.120 19.073 19.000 -0.078 0.000 1.013 19 A HN 0.483 nan 8.150 nan 0.000 0.493 20 L N 3.158 124.436 121.223 0.092 0.000 2.344 20 L HA 0.420 4.760 4.340 -0.000 0.000 0.272 20 L C -1.661 175.276 176.870 0.111 0.000 1.035 20 L CA -2.058 52.840 54.840 0.097 0.000 0.807 20 L CB 1.571 43.711 42.059 0.136 0.000 1.237 20 L HN 0.578 nan 8.230 nan 0.000 0.442 21 P HA 0.145 nan 4.420 nan 0.000 0.271 21 P C -0.895 176.446 177.300 0.068 0.000 1.233 21 P CA -0.171 62.965 63.100 0.061 0.000 0.789 21 P CB 0.731 32.444 31.700 0.022 0.000 0.951 22 L N -2.839 118.390 121.223 0.011 0.000 1.997 22 L HA -0.104 4.236 4.340 -0.000 0.000 0.543 22 L C -0.130 176.332 176.870 -0.681 0.000 1.001 22 L CA -0.304 54.360 54.840 -0.293 0.000 1.210 22 L CB -1.663 40.184 42.059 -0.354 0.000 1.886 22 L HN 0.628 nan 8.230 nan 0.000 0.996 23 A N 4.063 126.416 122.820 -0.778 0.000 2.304 23 A HA 0.907 5.227 4.320 -0.000 0.000 0.301 23 A C -0.797 176.064 177.584 -1.206 0.000 1.132 23 A CA -0.110 51.203 52.037 -1.207 0.000 0.819 23 A CB 0.520 19.019 19.000 -0.834 0.000 1.094 23 A HN 0.388 nan 8.150 nan 0.000 0.492 24 F N 2.021 121.534 119.950 -0.728 0.000 2.508 24 F HA 0.525 5.052 4.527 -0.000 0.000 0.325 24 F C -1.988 173.603 175.800 -0.349 0.000 1.090 24 F CA -2.437 55.224 58.000 -0.566 0.000 0.945 24 F CB 2.045 40.534 39.000 -0.852 0.000 1.156 24 F HN 0.352 nan 8.300 nan 0.000 0.463 25 P HA 0.119 nan 4.420 nan 0.000 0.274 25 P C -0.752 176.514 177.300 -0.058 0.000 1.231 25 P CA -0.153 62.879 63.100 -0.113 0.000 0.790 25 P CB 1.629 33.179 31.700 -0.250 0.000 0.951 26 V N 3.988 123.893 119.914 -0.016 0.000 2.270 26 V HA 0.158 4.278 4.120 -0.000 0.000 0.263 26 V C 0.656 176.738 176.094 -0.020 0.000 1.066 26 V CA -0.364 61.930 62.300 -0.010 0.000 0.857 26 V CB -1.154 30.681 31.823 0.020 0.000 1.099 26 V HN 0.548 nan 8.190 nan 0.000 0.476 27 H N 2.488 121.583 119.070 0.041 0.000 2.690 27 H HA 0.494 5.050 4.556 -0.000 0.000 0.365 27 H C 0.849 176.174 175.328 -0.005 0.000 1.142 27 H CA 0.318 56.373 56.048 0.012 0.000 1.417 27 H CB 1.208 30.969 29.762 -0.002 0.000 1.446 27 H HN 0.725 nan 8.280 nan 0.000 0.599 28 T N -2.094 112.543 114.554 0.138 0.000 2.693 28 T HA 0.112 4.462 4.350 -0.000 0.000 0.278 28 T C 1.138 175.863 174.700 0.041 0.000 0.994 28 T CA -0.961 61.179 62.100 0.067 0.000 1.033 28 T CB 1.290 70.188 68.868 0.051 0.000 1.342 28 T HN 0.727 nan 8.240 nan 0.000 0.538 29 E N -0.344 119.877 120.200 0.036 0.000 2.273 29 E HA -0.133 4.217 4.350 -0.000 0.000 0.198 29 E C 1.809 178.425 176.600 0.027 0.000 1.002 29 E CA 1.180 57.603 56.400 0.038 0.000 0.828 29 E CB -0.327 29.397 29.700 0.040 0.000 0.747 29 E HN 0.481 nan 8.360 nan 0.000 0.491 30 V N 0.799 120.724 119.914 0.018 0.000 2.261 30 V HA -0.249 3.871 4.120 -0.000 0.000 0.246 30 V C 1.969 178.045 176.094 -0.030 0.000 1.047 30 V CA 2.266 64.569 62.300 0.005 0.000 1.015 30 V CB -0.461 31.369 31.823 0.010 0.000 0.642 30 V HN 0.242 nan 8.190 nan 0.000 0.446 31 E N -0.103 120.062 120.200 -0.058 0.000 2.150 31 E HA -0.119 4.231 4.350 -0.000 0.000 0.193 31 E C 2.075 178.574 176.600 -0.168 0.000 0.985 31 E CA 0.884 57.191 56.400 -0.156 0.000 0.814 31 E CB -0.441 29.069 29.700 -0.317 0.000 0.752 31 E HN 0.411 nan 8.360 nan 0.000 0.466 32 V N 1.768 121.616 119.914 -0.110 0.000 2.233 32 V HA -0.315 3.805 4.120 -0.000 0.000 0.247 32 V C 1.740 177.728 176.094 -0.177 0.000 1.050 32 V CA 1.983 64.210 62.300 -0.122 0.000 1.010 32 V CB -0.590 31.219 31.823 -0.024 0.000 0.637 32 V HN 0.308 nan 8.190 nan 0.000 0.444 33 N N 0.135 118.801 118.700 -0.056 0.000 2.061 33 N HA -0.225 4.515 4.740 -0.000 0.000 0.193 33 N C 1.899 177.341 175.510 -0.113 0.000 1.030 33 N CA 1.695 54.735 53.050 -0.017 0.000 0.856 33 N CB -0.455 38.102 38.487 0.117 0.000 1.023 33 N HN 0.620 nan 8.380 nan 0.000 0.424 34 Q N 0.415 120.155 119.800 -0.100 0.000 2.050 34 Q HA -0.014 4.326 4.340 -0.000 0.000 0.202 34 Q C 2.202 178.111 176.000 -0.152 0.000 0.980 34 Q CA 1.647 57.386 55.803 -0.106 0.000 0.840 34 Q CB -0.222 28.457 28.738 -0.098 0.000 0.898 34 Q HN 0.424 nan 8.270 nan 0.000 0.424 35 A N 1.256 123.957 122.820 -0.198 0.000 1.877 35 A HA -0.155 4.165 4.320 -0.000 0.000 0.216 35 A C 2.338 179.774 177.584 -0.246 0.000 1.186 35 A CA 1.754 53.656 52.037 -0.224 0.000 0.620 35 A CB -0.948 17.898 19.000 -0.257 0.000 0.822 35 A HN 0.409 nan 8.150 nan 0.000 0.443 36 A N -1.169 121.447 122.820 -0.339 0.000 1.902 36 A HA -0.091 4.229 4.320 -0.000 0.000 0.217 36 A C 2.314 179.745 177.584 -0.255 0.000 1.181 36 A CA 2.343 54.137 52.037 -0.405 0.000 0.623 36 A CB -1.326 17.116 19.000 -0.929 0.000 0.818 36 A HN 0.435 nan 8.150 nan 0.000 0.443 37 T N 0.222 114.654 114.554 -0.203 0.000 2.746 37 T HA -0.033 4.317 4.350 -0.000 0.000 0.267 37 T C 2.204 176.860 174.700 -0.074 0.000 1.039 37 T CA 1.656 63.710 62.100 -0.078 0.000 1.142 37 T CB -0.417 68.430 68.868 -0.036 0.000 0.866 37 T HN 0.597 nan 8.240 nan 0.000 0.444 38 A N 1.293 124.054 122.820 -0.098 0.000 1.898 38 A HA 0.238 4.557 4.320 -0.000 0.000 0.216 38 A C 2.639 180.166 177.584 -0.094 0.000 1.181 38 A CA 1.702 53.687 52.037 -0.087 0.000 0.620 38 A CB -1.065 17.877 19.000 -0.097 0.000 0.819 38 A HN 0.493 nan 8.150 nan 0.000 0.442 39 A N 0.055 122.800 122.820 -0.125 0.000 1.877 39 A HA 0.121 4.441 4.320 -0.000 0.000 0.216 39 A C 2.514 180.051 177.584 -0.080 0.000 1.186 39 A CA 2.203 54.163 52.037 -0.129 0.000 0.620 39 A CB -1.083 17.820 19.000 -0.163 0.000 0.822 39 A HN 1.085 nan 8.150 nan 0.000 0.443 40 A N -0.358 122.425 122.820 -0.062 0.000 1.933 40 A HA -0.192 4.128 4.320 -0.000 0.000 0.218 40 A C 2.117 179.696 177.584 -0.008 0.000 1.175 40 A CA 2.046 54.071 52.037 -0.021 0.000 0.628 40 A CB -0.466 18.532 19.000 -0.003 0.000 0.814 40 A HN 0.564 nan 8.150 nan 0.000 0.444 41 K N -0.024 120.364 120.400 -0.019 0.000 2.209 41 K HA -0.097 4.223 4.320 -0.000 0.000 0.204 41 K C 1.373 177.973 176.600 0.000 0.000 1.048 41 K CA 1.658 57.940 56.287 -0.008 0.000 0.940 41 K CB -0.162 32.328 32.500 -0.017 0.000 0.729 41 K HN 0.500 nan 8.250 nan 0.000 0.451 42 V N -3.583 116.324 119.914 -0.011 0.000 3.578 42 V HA 0.352 4.472 4.120 -0.000 0.000 0.290 42 V C 1.645 177.774 176.094 0.059 0.000 1.376 42 V CA 0.498 62.802 62.300 0.008 0.000 1.083 42 V CB 0.183 31.982 31.823 -0.041 0.000 0.911 42 V HN 0.182 nan 8.190 nan 0.000 0.433 43 A N 1.595 124.448 122.820 0.055 0.000 1.865 43 A HA -0.215 4.105 4.320 -0.000 0.000 0.217 43 A C 2.403 180.069 177.584 0.137 0.000 1.191 43 A CA 2.346 54.447 52.037 0.107 0.000 0.623 43 A CB -0.622 18.418 19.000 0.067 0.000 0.826 43 A HN 0.582 nan 8.150 nan 0.000 0.444 44 R N -0.481 120.075 120.500 0.093 0.000 2.080 44 R HA -0.177 4.162 4.340 -0.000 0.000 0.236 44 R C 1.584 177.944 176.300 0.100 0.000 1.137 44 R CA 1.970 58.121 56.100 0.085 0.000 0.943 44 R CB -0.414 29.923 30.300 0.063 0.000 0.846 44 R HN 0.471 nan 8.270 nan 0.000 0.431 45 D N -0.260 120.205 120.400 0.108 0.000 2.178 45 D HA -0.180 4.460 4.640 -0.000 0.000 0.201 45 D C 1.591 177.995 176.300 0.175 0.000 0.980 45 D CA 0.923 54.993 54.000 0.116 0.000 0.842 45 D CB -0.233 40.628 40.800 0.101 0.000 0.948 45 D HN 0.194 nan 8.370 nan 0.000 0.472 46 F N 2.236 122.199 119.950 0.022 0.000 2.146 46 F HA -0.107 4.420 4.527 -0.000 0.000 0.298 46 F C 2.286 178.108 175.800 0.037 0.000 1.096 46 F CA 1.212 59.225 58.000 0.023 0.000 1.275 46 F CB -0.114 38.892 39.000 0.009 0.000 1.008 46 F HN -0.084 nan 8.300 nan 0.000 0.480 47 R N -0.124 120.372 120.500 -0.007 0.000 2.236 47 R HA 0.030 4.369 4.340 -0.000 0.000 0.208 47 R C 1.778 178.059 176.300 -0.033 0.000 1.036 47 R CA 0.992 57.034 56.100 -0.097 0.000 1.001 47 R CB -0.559 29.733 30.300 -0.013 0.000 0.896 47 R HN 0.187 nan 8.270 nan 0.000 0.464 48 R N 0.751 121.260 120.500 0.015 0.000 2.310 48 R HA 0.249 4.589 4.340 -0.000 0.000 0.202 48 R C 0.165 176.484 176.300 0.032 0.000 0.933 48 R CA -0.170 55.952 56.100 0.038 0.000 1.054 48 R CB 0.055 30.385 30.300 0.051 0.000 0.985 48 R HN 0.165 nan 8.270 nan 0.000 0.489 49 L N 1.611 122.837 121.223 0.004 0.000 2.473 49 L HA 0.005 4.345 4.340 -0.000 0.000 0.268 49 L C 0.550 177.431 176.870 0.017 0.000 1.215 49 L CA -0.185 54.661 54.840 0.010 0.000 0.823 49 L CB 0.159 42.209 42.059 -0.014 0.000 1.099 49 L HN 0.110 nan 8.230 nan 0.000 0.483 50 N N 1.480 120.195 118.700 0.025 0.000 2.479 50 N HA -0.014 4.726 4.740 -0.000 0.000 0.257 50 N C 0.679 176.203 175.510 0.023 0.000 1.232 50 N CA 0.156 53.226 53.050 0.033 0.000 0.920 50 N CB 0.430 38.932 38.487 0.024 0.000 1.105 50 N HN 0.539 nan 8.380 nan 0.000 0.444 51 N N 0.238 118.961 118.700 0.038 0.000 2.137 51 N HA -0.209 4.531 4.740 -0.000 0.000 0.190 51 N C 1.645 177.139 175.510 -0.027 0.000 1.017 51 N CA 1.478 54.524 53.050 -0.007 0.000 0.859 51 N CB 0.020 38.489 38.487 -0.031 0.000 1.002 51 N HN 0.576 nan 8.380 nan 0.000 0.428 52 S N 0.963 116.657 115.700 -0.010 0.000 2.382 52 S HA -0.130 4.340 4.470 -0.000 0.000 0.228 52 S C 1.859 176.459 174.600 0.000 0.000 1.027 52 S CA 0.988 59.183 58.200 -0.008 0.000 0.991 52 S CB -0.138 63.062 63.200 -0.001 0.000 0.823 52 S HN 0.122 nan 8.310 nan 0.000 0.469 53 K N 1.693 122.097 120.400 0.007 0.000 2.025 53 K HA 0.100 4.420 4.320 -0.000 0.000 0.207 53 K C 2.398 179.012 176.600 0.024 0.000 1.049 53 K CA 1.368 57.667 56.287 0.020 0.000 0.933 53 K CB -0.501 32.017 32.500 0.029 0.000 0.714 53 K HN 0.395 nan 8.250 nan 0.000 0.438 54 R N -0.534 119.964 120.500 -0.004 0.000 2.115 54 R HA 0.017 4.357 4.340 -0.000 0.000 0.230 54 R C 2.040 178.345 176.300 0.008 0.000 1.111 54 R CA 1.163 57.254 56.100 -0.015 0.000 0.976 54 R CB -0.283 29.938 30.300 -0.132 0.000 0.870 54 R HN 0.309 nan 8.270 nan 0.000 0.445 55 A N -0.462 122.355 122.820 -0.006 0.000 1.898 55 A HA -0.164 4.155 4.320 -0.000 0.000 0.216 55 A C 2.081 179.674 177.584 0.014 0.000 1.181 55 A CA 1.817 53.855 52.037 0.000 0.000 0.620 55 A CB -0.733 18.256 19.000 -0.018 0.000 0.819 55 A HN 0.387 nan 8.150 nan 0.000 0.442 56 S N -0.595 115.114 115.700 0.015 0.000 2.368 56 S HA -0.167 4.303 4.470 -0.000 0.000 0.225 56 S C 1.960 176.575 174.600 0.025 0.000 1.030 56 S CA 1.585 59.795 58.200 0.018 0.000 0.999 56 S CB -0.506 62.705 63.200 0.018 0.000 0.844 56 S HN 0.548 nan 8.310 nan 0.000 0.459 57 L N 1.683 122.931 121.223 0.042 0.000 2.042 57 L HA -0.007 4.333 4.340 -0.000 0.000 0.210 57 L C 2.096 178.987 176.870 0.035 0.000 1.076 57 L CA 1.798 56.670 54.840 0.053 0.000 0.749 57 L CB -0.716 41.409 42.059 0.109 0.000 0.893 57 L HN 0.411 nan 8.230 nan 0.000 0.432 58 L N -0.894 120.354 121.223 0.042 0.000 2.083 58 L HA -0.165 4.175 4.340 -0.000 0.000 0.209 58 L C 2.766 179.647 176.870 0.018 0.000 1.083 58 L CA 1.196 56.056 54.840 0.034 0.000 0.752 58 L CB -0.542 41.552 42.059 0.058 0.000 0.899 58 L HN 0.256 nan 8.230 nan 0.000 0.433 59 R N -0.791 119.719 120.500 0.015 0.000 2.115 59 R HA -0.070 4.270 4.340 -0.000 0.000 0.226 59 R C 2.215 178.515 176.300 -0.001 0.000 1.100 59 R CA 1.591 57.694 56.100 0.006 0.000 0.980 59 R CB -0.537 29.766 30.300 0.006 0.000 0.875 59 R HN 0.327 nan 8.270 nan 0.000 0.445 60 T N 1.519 116.073 114.554 -0.001 0.000 2.857 60 T HA -0.017 4.333 4.350 -0.000 0.000 0.266 60 T C 1.945 176.632 174.700 -0.022 0.000 1.048 60 T CA 0.874 62.969 62.100 -0.008 0.000 1.139 60 T CB -0.058 68.808 68.868 -0.003 0.000 0.874 60 T HN 0.126 nan 8.240 nan 0.000 0.455 61 I N 1.410 121.962 120.570 -0.030 0.000 2.179 61 I HA -0.182 3.987 4.170 -0.000 0.000 0.242 61 I C 2.932 179.021 176.117 -0.047 0.000 1.088 61 I CA 1.066 62.331 61.300 -0.059 0.000 1.357 61 I CB -0.483 37.467 38.000 -0.084 0.000 1.051 61 I HN 0.189 nan 8.210 nan 0.000 0.409 62 A N -0.066 122.737 122.820 -0.028 0.000 1.892 62 A HA -0.248 4.072 4.320 -0.000 0.000 0.218 62 A C 2.489 180.062 177.584 -0.018 0.000 1.188 62 A CA 2.433 54.459 52.037 -0.020 0.000 0.631 62 A CB -0.856 18.138 19.000 -0.009 0.000 0.822 62 A HN 0.379 nan 8.150 nan 0.000 0.447 63 S N -0.656 115.035 115.700 -0.016 0.000 2.368 63 S HA -0.124 4.345 4.470 -0.000 0.000 0.225 63 S C 1.982 176.573 174.600 -0.016 0.000 1.030 63 S CA 1.312 59.505 58.200 -0.013 0.000 0.999 63 S CB -0.296 62.898 63.200 -0.009 0.000 0.844 63 S HN 0.578 nan 8.310 nan 0.000 0.459 64 E N 1.215 121.401 120.200 -0.023 0.000 2.110 64 E HA -0.059 4.290 4.350 -0.000 0.000 0.193 64 E C 2.085 178.669 176.600 -0.026 0.000 0.988 64 E CA 0.600 56.984 56.400 -0.026 0.000 0.804 64 E CB -0.441 29.236 29.700 -0.038 0.000 0.745 64 E HN 0.465 nan 8.360 nan 0.000 0.458 65 L N 0.752 121.957 121.223 -0.031 0.000 2.017 65 L HA -0.195 4.144 4.340 -0.000 0.000 0.208 65 L C 2.327 179.189 176.870 -0.014 0.000 1.073 65 L CA 1.339 56.163 54.840 -0.026 0.000 0.745 65 L CB -0.375 41.667 42.059 -0.029 0.000 0.894 65 L HN 0.124 nan 8.230 nan 0.000 0.432 66 E N 0.015 120.208 120.200 -0.011 0.000 2.153 66 E HA -0.201 4.149 4.350 -0.000 0.000 0.194 66 E C 2.197 178.794 176.600 -0.005 0.000 0.988 66 E CA 1.030 57.427 56.400 -0.006 0.000 0.811 66 E CB -0.151 29.546 29.700 -0.005 0.000 0.746 66 E HN 0.499 nan 8.360 nan 0.000 0.466 67 A N 1.177 123.993 122.820 -0.006 0.000 2.015 67 A HA -0.086 4.233 4.320 -0.000 0.000 0.219 67 A C 1.800 179.383 177.584 -0.002 0.000 1.163 67 A CA 0.860 52.895 52.037 -0.004 0.000 0.646 67 A CB 0.042 19.038 19.000 -0.006 0.000 0.806 67 A HN -0.022 nan 8.150 nan 0.000 0.448 68 R N -0.178 120.321 120.500 -0.002 0.000 2.466 68 R HA 0.252 4.591 4.340 -0.000 0.000 0.279 68 R C 1.445 177.748 176.300 0.005 0.000 0.976 68 R CA 0.471 56.573 56.100 0.002 0.000 1.081 68 R CB -0.620 29.681 30.300 0.003 0.000 1.215 68 R HN 0.459 nan 8.270 nan 0.000 0.546 69 S N 1.732 117.433 115.700 0.002 0.000 2.390 69 S HA -0.216 4.254 4.470 -0.000 0.000 0.234 69 S C 1.154 175.758 174.600 0.007 0.000 1.063 69 S CA 1.990 60.192 58.200 0.003 0.000 1.108 69 S CB -0.069 63.132 63.200 0.001 0.000 0.975 69 S HN 0.352 nan 8.310 nan 0.000 0.442 70 D N 1.173 121.576 120.400 0.006 0.000 2.106 70 D HA -0.111 4.528 4.640 -0.000 0.000 0.191 70 D C 1.740 178.051 176.300 0.018 0.000 0.997 70 D CA 1.277 55.282 54.000 0.008 0.000 0.834 70 D CB -0.679 40.124 40.800 0.006 0.000 0.956 70 D HN 0.357 nan 8.370 nan 0.000 0.448 71 D N 0.473 120.885 120.400 0.021 0.000 2.104 71 D HA -0.111 4.529 4.640 -0.000 0.000 0.194 71 D C 2.401 178.725 176.300 0.040 0.000 0.994 71 D CA 0.458 54.477 54.000 0.032 0.000 0.830 71 D CB -0.358 40.461 40.800 0.031 0.000 0.959 71 D HN 0.294 nan 8.370 nan 0.000 0.452 72 I N 0.839 121.428 120.570 0.030 0.000 2.127 72 I HA -0.258 3.912 4.170 -0.000 0.000 0.241 72 I C 2.563 178.701 176.117 0.036 0.000 1.075 72 I CA 0.916 62.234 61.300 0.030 0.000 1.334 72 I CB -0.275 37.734 38.000 0.015 0.000 1.040 72 I HN -0.049 nan 8.210 nan 0.000 0.405 73 I N 0.821 121.409 120.570 0.030 0.000 2.127 73 I HA -0.319 3.851 4.170 -0.000 0.000 0.241 73 I C 2.859 179.022 176.117 0.077 0.000 1.075 73 I CA 1.511 62.833 61.300 0.037 0.000 1.334 73 I CB -0.520 37.486 38.000 0.010 0.000 1.040 73 I HN 0.217 nan 8.210 nan 0.000 0.405 74 A N 0.699 123.560 122.820 0.067 0.000 1.865 74 A HA -0.288 4.032 4.320 -0.000 0.000 0.217 74 A C 2.340 180.007 177.584 0.140 0.000 1.191 74 A CA 2.242 54.339 52.037 0.100 0.000 0.623 74 A CB -0.602 18.438 19.000 0.066 0.000 0.826 74 A HN 0.303 nan 8.150 nan 0.000 0.444 75 R N -0.054 120.508 120.500 0.105 0.000 2.066 75 R HA 0.020 4.359 4.340 -0.000 0.000 0.232 75 R C 2.190 178.550 176.300 0.101 0.000 1.131 75 R CA 1.949 58.113 56.100 0.106 0.000 0.955 75 R CB -0.905 29.453 30.300 0.096 0.000 0.851 75 R HN 0.390 nan 8.270 nan 0.000 0.432 76 A N -0.621 122.247 122.820 0.081 0.000 1.972 76 A HA -0.196 4.124 4.320 -0.000 0.000 0.219 76 A C 2.059 179.683 177.584 0.067 0.000 1.169 76 A CA 1.853 53.915 52.037 0.042 0.000 0.635 76 A CB -0.903 18.094 19.000 -0.005 0.000 0.810 76 A HN 0.652 nan 8.150 nan 0.000 0.446 77 H N -0.034 119.059 119.070 0.038 0.000 2.353 77 H HA 0.012 4.567 4.556 -0.000 0.000 0.300 77 H C 1.619 177.039 175.328 0.153 0.000 1.090 77 H CA 1.983 58.082 56.048 0.086 0.000 1.327 77 H CB -0.227 29.599 29.762 0.107 0.000 1.383 77 H HN 0.376 nan 8.280 nan 0.000 0.508 78 L N -0.202 121.056 121.223 0.058 0.000 2.240 78 L HA -0.023 4.316 4.340 -0.000 0.000 0.211 78 L C 2.130 178.990 176.870 -0.016 0.000 1.106 78 L CA 1.079 55.953 54.840 0.056 0.000 0.793 78 L CB -0.193 41.943 42.059 0.129 0.000 0.927 78 L HN 0.386 nan 8.230 nan 0.000 0.446 79 E N -0.616 119.581 120.200 -0.004 0.000 2.230 79 E HA -0.110 4.240 4.350 -0.000 0.000 0.192 79 E C 1.801 178.357 176.600 -0.074 0.000 0.987 79 E CA 1.559 57.958 56.400 -0.003 0.000 0.841 79 E CB 0.192 29.927 29.700 0.059 0.000 0.783 79 E HN 0.509 nan 8.360 nan 0.000 0.481 80 T N -3.694 110.778 114.554 -0.136 0.000 2.975 80 T HA 0.497 4.847 4.350 -0.000 0.000 0.257 80 T C 1.265 175.776 174.700 -0.315 0.000 1.003 80 T CA 0.372 62.364 62.100 -0.180 0.000 0.932 80 T CB 0.876 69.660 68.868 -0.140 0.000 1.087 80 T HN 0.122 nan 8.240 nan 0.000 0.512 81 A N 0.771 123.291 122.820 -0.499 0.000 3.413 81 A HA -0.121 4.199 4.320 -0.000 0.000 0.268 81 A C 0.334 177.789 177.584 -0.216 0.000 1.128 81 A CA 0.969 52.535 52.037 -0.785 0.000 1.062 81 A CB -2.656 15.724 19.000 -1.033 0.000 1.121 81 A HN 0.639 nan 8.150 nan 0.000 0.895 82 L N 1.527 122.695 121.223 -0.093 0.000 2.416 82 L HA 0.296 4.635 4.340 -0.000 0.000 0.272 82 L C -1.391 175.610 176.870 0.220 0.000 1.161 82 L CA -1.628 53.219 54.840 0.011 0.000 0.845 82 L CB 0.322 42.341 42.059 -0.066 0.000 1.119 82 L HN 0.222 nan 8.230 nan 0.000 0.464 83 P HA -0.001 nan 4.420 nan 0.000 0.269 83 P C -0.019 177.323 177.300 0.069 0.000 1.209 83 P CA -0.098 63.108 63.100 0.175 0.000 0.776 83 P CB 0.766 32.520 31.700 0.090 0.000 0.876 84 E N 0.932 121.085 120.200 -0.079 0.000 2.118 84 E HA -0.151 4.199 4.350 -0.000 0.000 0.195 84 E C 1.750 178.325 176.600 -0.041 0.000 0.992 84 E CA 0.929 57.265 56.400 -0.106 0.000 0.804 84 E CB -0.359 29.215 29.700 -0.210 0.000 0.741 84 E HN 0.209 nan 8.360 nan 0.000 0.458 85 V N 1.539 121.436 119.914 -0.029 0.000 2.343 85 V HA -0.288 3.832 4.120 -0.000 0.000 0.247 85 V C 2.458 178.557 176.094 0.008 0.000 1.051 85 V CA 2.275 64.569 62.300 -0.009 0.000 1.036 85 V CB -0.221 31.599 31.823 -0.004 0.000 0.654 85 V HN 0.156 nan 8.190 nan 0.000 0.451 86 R N 0.269 120.777 120.500 0.013 0.000 2.066 86 R HA -0.052 4.288 4.340 -0.000 0.000 0.232 86 R C 2.001 178.304 176.300 0.004 0.000 1.131 86 R CA 2.183 58.294 56.100 0.018 0.000 0.955 86 R CB -1.080 29.223 30.300 0.005 0.000 0.851 86 R HN 0.522 nan 8.270 nan 0.000 0.432 87 L N 0.091 121.312 121.223 -0.004 0.000 2.083 87 L HA -0.104 4.235 4.340 -0.000 0.000 0.209 87 L C 2.188 179.062 176.870 0.006 0.000 1.083 87 L CA 1.825 56.661 54.840 -0.007 0.000 0.752 87 L CB -0.650 41.412 42.059 0.004 0.000 0.899 87 L HN 0.286 nan 8.230 nan 0.000 0.433 88 T N -0.413 114.144 114.554 0.005 0.000 2.788 88 T HA -0.124 4.226 4.350 -0.000 0.000 0.268 88 T C 1.807 176.520 174.700 0.021 0.000 1.044 88 T CA 1.382 63.486 62.100 0.008 0.000 1.139 88 T CB -0.416 68.453 68.868 0.001 0.000 0.867 88 T HN 0.569 nan 8.240 nan 0.000 0.454 89 G N 0.503 109.322 108.800 0.032 0.000 2.421 89 G HA2 -0.121 3.838 3.960 -0.000 0.000 0.217 89 G HA3 -0.121 3.838 3.960 -0.000 0.000 0.217 89 G C 1.379 176.320 174.900 0.068 0.000 1.143 89 G CA 0.450 45.581 45.100 0.051 0.000 0.784 89 G HN 0.499 nan 8.290 nan 0.000 0.541 90 E N -0.111 120.129 120.200 0.067 0.000 2.152 90 E HA -0.047 4.303 4.350 -0.000 0.000 0.192 90 E C 2.398 179.037 176.600 0.066 0.000 0.983 90 E CA 0.192 56.649 56.400 0.095 0.000 0.818 90 E CB -0.010 29.738 29.700 0.080 0.000 0.758 90 E HN 0.281 nan 8.360 nan 0.000 0.467 91 I N 1.086 121.679 120.570 0.037 0.000 2.179 91 I HA -0.240 3.930 4.170 -0.000 0.000 0.242 91 I C 2.509 178.639 176.117 0.022 0.000 1.088 91 I CA 1.252 62.566 61.300 0.023 0.000 1.357 91 I CB -1.333 36.674 38.000 0.012 0.000 1.051 91 I HN 0.117 nan 8.210 nan 0.000 0.409 92 A N 0.747 123.582 122.820 0.026 0.000 1.877 92 A HA -0.244 4.076 4.320 -0.000 0.000 0.216 92 A C 2.541 180.138 177.584 0.022 0.000 1.186 92 A CA 1.763 53.812 52.037 0.021 0.000 0.620 92 A CB -0.704 18.310 19.000 0.024 0.000 0.822 92 A HN 0.355 nan 8.150 nan 0.000 0.443 93 R N -0.741 119.782 120.500 0.039 0.000 2.080 93 R HA -0.151 4.188 4.340 -0.000 0.000 0.236 93 R C 2.181 178.489 176.300 0.013 0.000 1.137 93 R CA 2.264 58.386 56.100 0.036 0.000 0.943 93 R CB -0.804 29.543 30.300 0.079 0.000 0.846 93 R HN 0.480 nan 8.270 nan 0.000 0.431 94 T N 0.706 115.273 114.554 0.022 0.000 2.684 94 T HA -0.170 4.180 4.350 -0.000 0.000 0.267 94 T C 1.831 176.530 174.700 -0.000 0.000 1.036 94 T CA 1.610 63.713 62.100 0.006 0.000 1.148 94 T CB -0.371 68.505 68.868 0.013 0.000 0.863 94 T HN 0.513 nan 8.240 nan 0.000 0.436 95 A N 2.255 125.075 122.820 0.000 0.000 1.898 95 A HA -0.120 4.200 4.320 -0.000 0.000 0.216 95 A C 2.251 179.831 177.584 -0.007 0.000 1.181 95 A CA 1.372 53.406 52.037 -0.004 0.000 0.620 95 A CB -0.545 18.453 19.000 -0.004 0.000 0.819 95 A HN 0.391 nan 8.150 nan 0.000 0.442 96 N N -0.507 118.185 118.700 -0.012 0.000 2.309 96 N HA -0.151 4.588 4.740 -0.000 0.000 0.182 96 N C 1.841 177.318 175.510 -0.055 0.000 1.018 96 N CA 1.393 54.426 53.050 -0.029 0.000 0.876 96 N CB -0.333 38.138 38.487 -0.026 0.000 0.972 96 N HN 0.797 nan 8.380 nan 0.000 0.434 97 Q N 0.698 120.473 119.800 -0.043 0.000 2.079 97 Q HA -0.001 4.339 4.340 -0.000 0.000 0.200 97 Q C 2.024 178.048 176.000 0.039 0.000 0.974 97 Q CA 0.862 56.633 55.803 -0.052 0.000 0.840 97 Q CB -0.014 28.716 28.738 -0.014 0.000 0.898 97 Q HN 0.271 nan 8.270 nan 0.000 0.430 98 L N 0.062 121.327 121.223 0.069 0.000 2.046 98 L HA -0.173 4.167 4.340 -0.000 0.000 0.208 98 L C 2.624 179.538 176.870 0.073 0.000 1.077 98 L CA 1.391 56.298 54.840 0.112 0.000 0.747 98 L CB -0.224 41.861 42.059 0.044 0.000 0.896 98 L HN 0.164 nan 8.230 nan 0.000 0.432 99 R N -0.662 119.842 120.500 0.007 0.000 2.115 99 R HA -0.167 4.172 4.340 -0.000 0.000 0.230 99 R C 2.146 178.410 176.300 -0.060 0.000 1.111 99 R CA 1.048 57.139 56.100 -0.015 0.000 0.976 99 R CB -0.413 29.873 30.300 -0.022 0.000 0.870 99 R HN 0.188 nan 8.270 nan 0.000 0.445 100 L N -0.023 121.110 121.223 -0.150 0.000 2.017 100 L HA -0.109 4.230 4.340 -0.000 0.000 0.208 100 L C 1.598 178.261 176.870 -0.345 0.000 1.073 100 L CA 1.792 56.443 54.840 -0.315 0.000 0.745 100 L CB -0.409 41.326 42.059 -0.539 0.000 0.894 100 L HN -0.010 nan 8.230 nan 0.000 0.432 101 F N -0.083 119.815 119.950 -0.086 0.000 2.407 101 F HA 0.028 4.554 4.527 -0.000 0.000 0.299 101 F C 2.447 178.212 175.800 -0.058 0.000 1.097 101 F CA 0.840 58.798 58.000 -0.069 0.000 1.422 101 F CB -1.146 37.825 39.000 -0.048 0.000 1.067 101 F HN 0.208 nan 8.300 nan 0.000 0.539 102 A N -0.017 122.855 122.820 0.087 0.000 1.898 102 A HA -0.161 4.159 4.320 -0.000 0.000 0.216 102 A C 2.033 179.615 177.584 -0.002 0.000 1.181 102 A CA 1.915 53.975 52.037 0.037 0.000 0.620 102 A CB -0.674 18.340 19.000 0.022 0.000 0.819 102 A HN 0.227 nan 8.150 nan 0.000 0.442 103 D N -0.145 120.247 120.400 -0.014 0.000 2.117 103 D HA -0.098 4.541 4.640 -0.000 0.000 0.198 103 D C 2.121 178.412 176.300 -0.015 0.000 0.982 103 D CA 1.425 55.419 54.000 -0.009 0.000 0.828 103 D CB -0.547 40.263 40.800 0.017 0.000 0.967 103 D HN 0.208 nan 8.370 nan 0.000 0.464 104 V N 1.010 120.916 119.914 -0.013 0.000 2.255 104 V HA -0.232 3.887 4.120 -0.000 0.000 0.247 104 V C 2.721 178.714 176.094 -0.168 0.000 1.051 104 V CA 1.202 63.494 62.300 -0.014 0.000 1.018 104 V CB -0.558 31.293 31.823 0.047 0.000 0.641 104 V HN 0.048 nan 8.190 nan 0.000 0.445 105 V N 0.340 120.141 119.914 -0.188 0.000 2.255 105 V HA -0.303 3.817 4.120 -0.000 0.000 0.247 105 V C 2.289 178.162 176.094 -0.368 0.000 1.051 105 V CA 2.566 64.609 62.300 -0.428 0.000 1.018 105 V CB -1.057 30.656 31.823 -0.184 0.000 0.641 105 V HN 0.607 nan 8.190 nan 0.000 0.445 106 N N -0.088 118.510 118.700 -0.170 0.000 2.205 106 N HA -0.187 4.552 4.740 -0.000 0.000 0.186 106 N C 2.032 177.480 175.510 -0.103 0.000 1.015 106 N CA 1.517 54.503 53.050 -0.107 0.000 0.862 106 N CB -0.263 38.192 38.487 -0.053 0.000 0.986 106 N HN 0.391 nan 8.380 nan 0.000 0.429 107 S N -1.217 114.414 115.700 -0.115 0.000 2.382 107 S HA -0.036 4.433 4.470 -0.000 0.000 0.228 107 S C 1.452 176.011 174.600 -0.068 0.000 1.027 107 S CA 1.670 59.827 58.200 -0.072 0.000 0.991 107 S CB -0.702 62.472 63.200 -0.042 0.000 0.823 107 S HN 0.660 nan 8.310 nan 0.000 0.469 108 G N -0.067 108.621 108.800 -0.188 0.000 2.179 108 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.260 108 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.260 108 G C 1.078 176.054 174.900 0.127 0.000 0.977 108 G CA 1.253 46.336 45.100 -0.028 0.000 0.641 108 G HN 1.162 nan 8.290 nan 0.000 0.533 109 S N 0.106 115.830 115.700 0.041 0.000 2.402 109 S HA -0.120 4.350 4.470 -0.000 0.000 0.229 109 S C 2.171 176.951 174.600 0.300 0.000 1.021 109 S CA 1.835 60.128 58.200 0.156 0.000 0.974 109 S CB -0.556 62.716 63.200 0.120 0.000 0.800 109 S HN 1.458 nan 8.310 nan 0.000 0.484 110 Y N 1.867 122.207 120.300 0.066 0.000 2.483 110 Y HA -0.006 4.543 4.550 -0.000 0.000 0.291 110 Y C 1.893 177.837 175.900 0.073 0.000 1.143 110 Y CA 0.686 58.825 58.100 0.065 0.000 1.289 110 Y CB -1.841 36.557 38.460 -0.104 0.000 0.983 110 Y HN 0.350 nan 8.280 nan 0.000 0.556 111 H N 0.969 120.438 119.070 0.663 0.000 2.423 111 H HA -0.075 4.481 4.556 -0.000 0.000 0.297 111 H C 0.665 176.100 175.328 0.179 0.000 1.075 111 H CA 1.494 57.714 56.048 0.287 0.000 1.342 111 H CB -0.133 29.794 29.762 0.275 0.000 1.395 111 H HN 0.469 nan 8.280 nan 0.000 0.530 112 Q N -0.737 119.251 119.800 0.312 0.000 2.453 112 Q HA -0.150 4.190 4.340 -0.000 0.000 0.294 112 Q C -0.085 176.008 176.000 0.154 0.000 1.295 112 Q CA 0.089 56.006 55.803 0.190 0.000 0.853 112 Q CB -1.404 27.416 28.738 0.136 0.000 1.193 112 Q HN 0.448 nan 8.270 nan 0.000 0.461 113 A N 0.847 123.764 122.820 0.162 0.000 2.548 113 A HA 0.404 4.724 4.320 -0.000 0.000 0.247 113 A C 0.286 177.914 177.584 0.072 0.000 1.067 113 A CA 0.496 52.593 52.037 0.099 0.000 0.757 113 A CB 0.232 19.266 19.000 0.057 0.000 0.996 113 A HN 0.423 nan 8.150 nan 0.000 0.504 114 I N 2.921 123.530 120.570 0.065 0.000 2.619 114 I HA 0.453 4.623 4.170 -0.000 0.000 0.292 114 I C -0.700 175.445 176.117 0.047 0.000 1.100 114 I CA -0.469 60.862 61.300 0.052 0.000 1.043 114 I CB 1.934 39.966 38.000 0.053 0.000 1.239 114 I HN 0.631 nan 8.210 nan 0.000 0.420 115 L N 2.443 123.688 121.223 0.035 0.000 2.422 115 L HA 0.702 5.042 4.340 -0.000 0.000 0.264 115 L C -1.472 175.415 176.870 0.027 0.000 0.984 115 L CA -0.947 53.913 54.840 0.033 0.000 0.819 115 L CB 2.312 44.385 42.059 0.022 0.000 1.330 115 L HN 0.341 nan 8.230 nan 0.000 0.410 116 D N 1.148 121.565 120.400 0.029 0.000 2.198 116 D HA 0.270 4.910 4.640 -0.000 0.000 0.245 116 D C -0.294 176.017 176.300 0.019 0.000 1.079 116 D CA -0.148 53.866 54.000 0.023 0.000 0.854 116 D CB 2.364 43.178 40.800 0.024 0.000 1.148 116 D HN 0.499 nan 8.370 nan 0.000 0.456 117 T N 4.516 119.079 114.554 0.015 0.000 2.779 117 T HA 0.214 4.564 4.350 -0.000 0.000 0.296 117 T C -1.911 172.797 174.700 0.012 0.000 0.938 117 T CA -0.985 61.123 62.100 0.012 0.000 1.119 117 T CB 0.846 69.720 68.868 0.009 0.000 0.891 117 T HN 0.230 nan 8.240 nan 0.000 0.526 118 P HA 0.138 nan 4.420 nan 0.000 0.271 118 P C -0.448 176.857 177.300 0.010 0.000 1.233 118 P CA -0.395 62.712 63.100 0.012 0.000 0.789 118 P CB 0.562 32.269 31.700 0.013 0.000 0.951 119 N N 1.142 119.848 118.700 0.009 0.000 2.685 119 N HA 0.257 4.997 4.740 -0.000 0.000 0.252 119 N C -2.289 173.226 175.510 0.007 0.000 1.261 119 N CA -2.055 51.000 53.050 0.008 0.000 0.768 119 N CB 0.572 39.064 38.487 0.007 0.000 1.304 119 N HN -0.020 nan 8.380 nan 0.000 0.536 120 P HA -0.080 nan 4.420 nan 0.000 0.216 120 P C 0.815 178.118 177.300 0.006 0.000 1.150 120 P CA 1.428 64.532 63.100 0.007 0.000 0.837 120 P CB 0.166 31.870 31.700 0.006 0.000 0.786 121 T N -3.029 111.528 114.554 0.005 0.000 3.235 121 T HA 0.114 4.464 4.350 -0.000 0.000 0.251 121 T C 0.575 175.277 174.700 0.004 0.000 1.060 121 T CA -0.640 61.463 62.100 0.004 0.000 0.949 121 T CB -0.768 68.103 68.868 0.004 0.000 1.020 121 T HN 0.151 nan 8.240 nan 0.000 0.564 122 R N 0.582 121.085 120.500 0.005 0.000 2.459 122 R HA 0.753 5.093 4.340 -0.000 0.000 0.281 122 R C -0.549 175.754 176.300 0.004 0.000 1.050 122 R CA -0.716 55.387 56.100 0.004 0.000 1.055 122 R CB 0.830 31.133 30.300 0.005 0.000 1.045 122 R HN 0.124 nan 8.270 nan 0.000 0.495 123 A N 3.198 126.020 122.820 0.004 0.000 2.337 123 A HA 0.478 4.798 4.320 -0.000 0.000 0.331 123 A C -1.550 176.036 177.584 0.003 0.000 1.137 123 A CA -1.652 50.387 52.037 0.003 0.000 0.807 123 A CB 1.008 20.010 19.000 0.003 0.000 1.250 123 A HN 0.897 nan 8.150 nan 0.000 0.468 124 P HA 0.104 nan 4.420 nan 0.000 0.222 124 P C -0.149 177.153 177.300 0.004 0.000 1.153 124 P CA 0.843 63.944 63.100 0.003 0.000 0.798 124 P CB 0.136 31.838 31.700 0.003 0.000 0.796 125 L N 1.795 123.020 121.223 0.004 0.000 2.346 125 L HA 0.466 4.806 4.340 -0.000 0.000 0.274 125 L C -2.436 174.437 176.870 0.005 0.000 1.007 125 L CA -2.689 52.154 54.840 0.005 0.000 0.818 125 L CB 2.264 44.325 42.059 0.005 0.000 1.284 125 L HN -0.183 nan 8.230 nan 0.000 0.424 126 P HA 0.033 nan 4.420 nan 0.000 0.272 126 P C -1.273 176.032 177.300 0.008 0.000 1.223 126 P CA -0.464 62.640 63.100 0.007 0.000 0.784 126 P CB 1.025 32.729 31.700 0.007 0.000 0.923 127 K N 3.881 124.286 120.400 0.009 0.000 2.262 127 K HA 0.287 4.606 4.320 -0.000 0.000 0.282 127 K C -2.003 174.604 176.600 0.012 0.000 1.066 127 K CA -2.239 54.054 56.287 0.010 0.000 0.901 127 K CB 0.393 32.899 32.500 0.010 0.000 1.089 127 K HN 0.336 nan 8.250 nan 0.000 0.476 128 P HA 0.003 nan 4.420 nan 0.000 0.274 128 P C -0.914 176.399 177.300 0.021 0.000 1.246 128 P CA -0.263 62.847 63.100 0.017 0.000 0.795 128 P CB 0.664 32.375 31.700 0.018 0.000 1.006 129 D N 1.420 121.835 120.400 0.025 0.000 2.339 129 D HA 0.289 4.929 4.640 -0.000 0.000 0.241 129 D C -0.481 175.844 176.300 0.042 0.000 1.183 129 D CA -0.118 53.900 54.000 0.029 0.000 0.859 129 D CB -0.346 40.469 40.800 0.026 0.000 1.067 129 D HN 0.212 nan 8.370 nan 0.000 0.484 130 I N 3.921 124.518 120.570 0.044 0.000 2.509 130 I HA 0.458 4.628 4.170 -0.000 0.000 0.293 130 I C 0.161 176.321 176.117 0.073 0.000 1.020 130 I CA -0.869 60.468 61.300 0.062 0.000 1.088 130 I CB 1.817 39.845 38.000 0.047 0.000 1.267 130 I HN 0.095 nan 8.210 nan 0.000 0.430 131 R N 5.433 126.003 120.500 0.117 0.000 2.604 131 R HA 0.631 4.971 4.340 -0.000 0.000 0.281 131 R C -1.177 175.256 176.300 0.221 0.000 1.020 131 R CA -0.997 55.174 56.100 0.119 0.000 0.899 131 R CB 2.916 33.255 30.300 0.065 0.000 1.205 131 R HN 0.686 nan 8.270 nan 0.000 0.450 132 R N 1.206 121.808 120.500 0.171 0.000 2.854 132 R HA 0.513 4.852 4.340 -0.000 0.000 0.271 132 R C -1.106 175.303 176.300 0.182 0.000 0.994 132 R CA -1.019 55.212 56.100 0.218 0.000 0.945 132 R CB 2.155 32.534 30.300 0.132 0.000 1.194 132 R HN 0.765 nan 8.270 nan 0.000 0.476 133 Q N 0.638 120.575 119.800 0.229 0.000 2.590 133 Q HA 0.326 4.666 4.340 -0.000 0.000 0.295 133 Q C -1.305 174.803 176.000 0.180 0.000 0.973 133 Q CA -1.237 54.683 55.803 0.194 0.000 0.768 133 Q CB 1.892 30.733 28.738 0.171 0.000 1.479 133 Q HN 0.518 nan 8.270 nan 0.000 0.419 134 Q N 1.281 121.171 119.800 0.150 0.000 2.230 134 Q HA 0.623 4.963 4.340 -0.000 0.000 0.253 134 Q C -0.293 175.718 176.000 0.017 0.000 0.919 134 Q CA -0.408 55.437 55.803 0.070 0.000 0.908 134 Q CB 1.950 30.707 28.738 0.032 0.000 1.245 134 Q HN 0.717 nan 8.270 nan 0.000 0.437 135 I N -2.536 118.040 120.570 0.010 0.000 2.969 135 I HA 0.765 4.935 4.170 -0.000 0.000 0.307 135 I C -0.608 175.503 176.117 -0.009 0.000 1.149 135 I CA -1.465 59.829 61.300 -0.009 0.000 1.008 135 I CB 2.019 40.056 38.000 0.061 0.000 1.232 135 I HN 0.514 nan 8.210 nan 0.000 0.435 136 A N 4.074 126.884 122.820 -0.016 0.000 2.511 136 A HA 0.317 4.637 4.320 -0.000 0.000 0.242 136 A C 0.952 178.580 177.584 0.073 0.000 1.069 136 A CA -0.197 51.860 52.037 0.033 0.000 0.763 136 A CB 0.142 19.159 19.000 0.028 0.000 1.001 136 A HN 0.893 nan 8.150 nan 0.000 0.498 137 L N 2.103 123.396 121.223 0.116 0.000 2.093 137 L HA 0.141 4.481 4.340 -0.000 0.000 0.208 137 L C 1.550 178.476 176.870 0.094 0.000 1.085 137 L CA 1.452 56.362 54.840 0.118 0.000 0.755 137 L CB -0.642 41.523 42.059 0.177 0.000 0.904 137 L HN 1.117 nan 8.230 nan 0.000 0.435 138 G N -1.961 106.894 108.800 0.092 0.000 2.293 138 G HA2 -0.050 3.910 3.960 -0.000 0.000 0.282 138 G HA3 -0.050 3.910 3.960 -0.000 0.000 0.282 138 G C -2.941 171.984 174.900 0.041 0.000 1.299 138 G CA -1.120 44.020 45.100 0.067 0.000 1.018 138 G HN -0.202 nan 8.290 nan 0.000 0.478 139 P HA 0.401 nan 4.420 nan 0.000 0.264 139 P C -0.274 176.994 177.300 -0.053 0.000 1.183 139 P CA -0.026 63.047 63.100 -0.045 0.000 0.763 139 P CB 1.066 32.729 31.700 -0.062 0.000 0.807 140 V N 2.992 122.826 119.914 -0.134 0.000 2.604 140 V HA 0.650 4.770 4.120 -0.000 0.000 0.305 140 V C 0.168 176.150 176.094 -0.187 0.000 1.043 140 V CA -0.852 61.343 62.300 -0.175 0.000 0.888 140 V CB 1.827 33.375 31.823 -0.458 0.000 0.995 140 V HN 0.584 nan 8.190 nan 0.000 0.429 141 A N 4.225 126.993 122.820 -0.087 0.000 2.301 141 A HA 0.837 5.157 4.320 -0.000 0.000 0.312 141 A C -0.737 176.822 177.584 -0.041 0.000 1.182 141 A CA -0.448 51.541 52.037 -0.080 0.000 0.826 141 A CB 1.167 20.195 19.000 0.046 0.000 1.134 141 A HN 0.700 nan 8.150 nan 0.000 0.501 142 V N 2.414 122.239 119.914 -0.148 0.000 2.588 142 V HA 0.476 4.596 4.120 -0.000 0.000 0.304 142 V C -1.358 174.653 176.094 -0.139 0.000 1.042 142 V CA -0.257 62.019 62.300 -0.039 0.000 0.877 142 V CB 1.397 33.178 31.823 -0.070 0.000 0.996 142 V HN 0.725 nan 8.190 nan 0.000 0.425 143 F N 2.722 122.712 119.950 0.067 0.000 2.375 143 F HA 0.696 5.223 4.527 -0.000 0.000 0.361 143 F C 0.978 176.780 175.800 0.004 0.000 1.117 143 F CA -0.522 57.504 58.000 0.044 0.000 1.037 143 F CB 1.671 40.736 39.000 0.110 0.000 1.192 143 F HN 0.583 nan 8.300 nan 0.000 0.452 144 G N 1.312 110.225 108.800 0.189 0.000 2.572 144 G HA2 0.526 4.485 3.960 -0.000 0.000 0.261 144 G HA3 0.526 4.485 3.960 -0.000 0.000 0.261 144 G C -0.647 174.398 174.900 0.241 0.000 1.197 144 G CA -0.559 44.676 45.100 0.225 0.000 0.870 144 G HN 0.842 nan 8.290 nan 0.000 0.548 145 A N -0.016 122.936 122.820 0.221 0.000 2.327 145 A HA 0.517 4.837 4.320 -0.000 0.000 0.283 145 A C 1.548 179.177 177.584 0.075 0.000 1.127 145 A CA 0.341 52.451 52.037 0.121 0.000 0.810 145 A CB 0.855 19.907 19.000 0.087 0.000 1.066 145 A HN 1.347 nan 8.150 nan 0.000 0.492 146 S N 1.502 117.122 115.700 -0.134 0.000 2.414 146 S HA -0.139 4.331 4.470 -0.000 0.000 0.227 146 S C 1.241 175.764 174.600 -0.127 0.000 1.022 146 S CA 1.010 59.017 58.200 -0.321 0.000 0.958 146 S CB -0.414 62.495 63.200 -0.485 0.000 0.797 146 S HN 0.874 nan 8.310 nan 0.000 0.493 147 N N 0.715 119.381 118.700 -0.056 0.000 2.463 147 N HA 0.029 4.769 4.740 -0.000 0.000 0.181 147 N C -0.419 174.936 175.510 -0.259 0.000 1.078 147 N CA 0.315 53.334 53.050 -0.053 0.000 0.902 147 N CB -0.478 38.113 38.487 0.173 0.000 0.970 147 N HN 0.503 nan 8.380 nan 0.000 0.451 148 F N 1.058 120.907 119.950 -0.167 0.000 2.710 148 F HA 0.384 4.910 4.527 -0.000 0.000 0.345 148 F C -1.737 174.013 175.800 -0.084 0.000 1.362 148 F CA -2.051 55.879 58.000 -0.117 0.000 1.175 148 F CB 1.793 40.746 39.000 -0.079 0.000 1.561 148 F HN -0.153 nan 8.300 nan 0.000 0.593 149 P HA -0.155 nan 4.420 nan 0.000 0.224 149 P C 0.886 178.044 177.300 -0.237 0.000 1.142 149 P CA 1.560 64.329 63.100 -0.552 0.000 0.778 149 P CB 0.634 31.854 31.700 -0.800 0.000 0.764 150 L N -1.405 119.802 121.223 -0.027 0.000 2.614 150 L HA 0.300 4.640 4.340 -0.000 0.000 0.185 150 L C 2.607 179.537 176.870 0.101 0.000 1.098 150 L CA 0.795 55.653 54.840 0.030 0.000 0.852 150 L CB -1.174 40.896 42.059 0.018 0.000 1.213 150 L HN -0.276 nan 8.230 nan 0.000 0.491 151 A N -0.528 122.411 122.820 0.199 0.000 2.119 151 A HA -0.010 4.310 4.320 -0.000 0.000 0.217 151 A C 1.115 178.684 177.584 -0.024 0.000 1.153 151 A CA 1.282 53.394 52.037 0.124 0.000 0.692 151 A CB -0.353 18.771 19.000 0.207 0.000 0.799 151 A HN 0.391 nan 8.150 nan 0.000 0.458 152 F N -1.379 118.616 119.950 0.075 0.000 2.835 152 F HA 0.389 4.916 4.527 -0.000 0.000 0.342 152 F C 0.964 176.819 175.800 0.091 0.000 1.202 152 F CA -0.017 58.019 58.000 0.059 0.000 1.240 152 F CB 0.357 39.379 39.000 0.037 0.000 1.005 152 F HN 0.140 nan 8.300 nan 0.000 0.507 153 S N -0.568 115.256 115.700 0.207 0.000 4.353 153 S HA 0.687 5.157 4.470 -0.000 0.000 0.229 153 S C 1.751 176.445 174.600 0.157 0.000 1.098 153 S CA 0.473 58.800 58.200 0.210 0.000 1.695 153 S CB -0.053 63.306 63.200 0.265 0.000 1.097 153 S HN 0.031 nan 8.310 nan 0.000 0.745 154 A N 0.946 123.872 122.820 0.177 0.000 1.915 154 A HA 0.009 4.329 4.320 -0.000 0.000 0.220 154 A C 1.644 179.310 177.584 0.138 0.000 1.198 154 A CA 2.596 54.746 52.037 0.189 0.000 0.647 154 A CB -1.238 17.877 19.000 0.192 0.000 0.825 154 A HN 1.183 nan 8.150 nan 0.000 0.456 155 A N -1.090 121.755 122.820 0.042 0.000 2.637 155 A HA 0.566 4.885 4.320 -0.000 0.000 0.293 155 A C 1.037 178.610 177.584 -0.019 0.000 1.216 155 A CA 0.579 52.597 52.037 -0.032 0.000 0.956 155 A CB -0.720 18.227 19.000 -0.089 0.000 1.174 155 A HN 0.824 nan 8.150 nan 0.000 0.525 156 G N -0.892 107.910 108.800 0.003 0.000 2.525 156 G HA2 0.374 4.334 3.960 -0.000 0.000 0.276 156 G HA3 0.374 4.334 3.960 -0.000 0.000 0.276 156 G C 1.184 176.024 174.900 -0.101 0.000 1.388 156 G CA 0.137 45.205 45.100 -0.053 0.000 1.050 156 G HN 0.528 nan 8.290 nan 0.000 0.520 157 G N -0.724 107.944 108.800 -0.220 0.000 2.442 157 G HA2 -0.181 3.778 3.960 -0.000 0.000 0.219 157 G HA3 -0.181 3.778 3.960 -0.000 0.000 0.219 157 G C 1.313 176.163 174.900 -0.083 0.000 1.141 157 G CA 1.506 46.512 45.100 -0.156 0.000 0.763 157 G HN 0.478 nan 8.290 nan 0.000 0.554 158 D N 0.055 120.446 120.400 -0.015 0.000 2.097 158 D HA -0.036 4.604 4.640 -0.000 0.000 0.197 158 D C 2.782 179.012 176.300 -0.116 0.000 0.984 158 D CA 1.346 55.397 54.000 0.084 0.000 0.826 158 D CB -0.611 40.292 40.800 0.172 0.000 0.973 158 D HN 0.188 nan 8.370 nan 0.000 0.460 159 T N 0.728 115.222 114.554 -0.100 0.000 2.674 159 T HA -0.129 4.221 4.350 -0.000 0.000 0.265 159 T C 1.992 176.595 174.700 -0.161 0.000 1.039 159 T CA 1.654 63.688 62.100 -0.110 0.000 1.150 159 T CB -0.379 68.504 68.868 0.025 0.000 0.864 159 T HN 0.179 nan 8.240 nan 0.000 0.427 160 A N 2.005 124.730 122.820 -0.158 0.000 1.865 160 A HA -0.157 4.163 4.320 -0.000 0.000 0.217 160 A C 2.604 179.896 177.584 -0.487 0.000 1.191 160 A CA 2.541 54.457 52.037 -0.201 0.000 0.623 160 A CB -1.054 17.910 19.000 -0.059 0.000 0.826 160 A HN 0.625 nan 8.150 nan 0.000 0.444 161 S N 0.001 115.230 115.700 -0.784 0.000 2.402 161 S HA 0.105 4.575 4.470 -0.000 0.000 0.229 161 S C 2.058 176.479 174.600 -0.300 0.000 1.021 161 S CA 1.255 58.886 58.200 -0.949 0.000 0.974 161 S CB -0.611 62.175 63.200 -0.690 0.000 0.800 161 S HN 0.889 nan 8.310 nan 0.000 0.484 162 A N 2.218 124.773 122.820 -0.441 0.000 1.873 162 A HA 0.199 4.518 4.320 -0.000 0.000 0.215 162 A C 2.312 179.742 177.584 -0.258 0.000 1.186 162 A CA 1.232 52.814 52.037 -0.758 0.000 0.616 162 A CB -0.836 17.466 19.000 -1.162 0.000 0.823 162 A HN 0.511 nan 8.150 nan 0.000 0.442 163 L N -0.714 120.429 121.223 -0.135 0.000 2.046 163 L HA -0.203 4.137 4.340 -0.000 0.000 0.208 163 L C 3.114 180.009 176.870 0.041 0.000 1.077 163 L CA 1.090 55.997 54.840 0.112 0.000 0.747 163 L CB -0.631 41.508 42.059 0.133 0.000 0.896 163 L HN 0.448 nan 8.230 nan 0.000 0.432 164 A N 0.163 122.959 122.820 -0.040 0.000 1.940 164 A HA -0.193 4.127 4.320 -0.000 0.000 0.219 164 A C 2.498 180.121 177.584 0.064 0.000 1.176 164 A CA 1.779 53.822 52.037 0.010 0.000 0.631 164 A CB -0.667 18.346 19.000 0.022 0.000 0.814 164 A HN 0.417 nan 8.150 nan 0.000 0.446 165 A N -1.929 120.907 122.820 0.028 0.000 2.015 165 A HA 0.332 4.652 4.320 -0.000 0.000 0.219 165 A C 1.884 179.417 177.584 -0.086 0.000 1.163 165 A CA 1.681 53.724 52.037 0.010 0.000 0.646 165 A CB -0.825 18.245 19.000 0.117 0.000 0.806 165 A HN 1.993 nan 8.150 nan 0.000 0.448 166 G N -2.869 105.857 108.800 -0.124 0.000 2.141 166 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.164 166 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.164 166 G C -0.150 174.783 174.900 0.055 0.000 1.009 166 G CA -0.236 44.686 45.100 -0.298 0.000 0.677 166 G HN 0.648 nan 8.290 nan 0.000 0.508 167 C N 1.035 120.444 119.300 0.180 0.000 2.329 167 C HA 0.657 5.117 4.460 -0.000 0.000 0.329 167 C C -1.583 173.520 174.990 0.190 0.000 1.275 167 C CA -1.556 57.563 59.018 0.169 0.000 1.726 167 C CB 1.519 29.239 27.740 -0.033 0.000 2.291 167 C HN 0.340 nan 8.230 nan 0.000 0.514 168 P HA 0.301 nan 4.420 nan 0.000 0.272 168 P C -0.899 176.303 177.300 -0.163 0.000 1.223 168 P CA -0.009 62.998 63.100 -0.156 0.000 0.784 168 P CB 0.534 32.130 31.700 -0.174 0.000 0.923 169 V N 3.825 123.620 119.914 -0.199 0.000 2.604 169 V HA 0.434 4.553 4.120 -0.000 0.000 0.305 169 V C 0.010 175.862 176.094 -0.403 0.000 1.043 169 V CA -0.450 61.702 62.300 -0.246 0.000 0.888 169 V CB 1.740 33.483 31.823 -0.133 0.000 0.995 169 V HN 0.368 nan 8.190 nan 0.000 0.429 170 I N 4.523 124.865 120.570 -0.382 0.000 2.410 170 I HA 0.433 4.603 4.170 -0.000 0.000 0.286 170 I C -0.666 175.200 176.117 -0.418 0.000 1.009 170 I CA -0.740 60.294 61.300 -0.443 0.000 1.111 170 I CB 2.028 39.829 38.000 -0.331 0.000 1.262 170 I HN 0.257 nan 8.210 nan 0.000 0.443 171 V N 6.548 126.170 119.914 -0.487 0.000 2.439 171 V HA 0.278 4.398 4.120 -0.000 0.000 0.282 171 V C 0.404 176.295 176.094 -0.340 0.000 1.039 171 V CA -0.688 61.402 62.300 -0.350 0.000 0.913 171 V CB 1.688 33.389 31.823 -0.203 0.000 0.983 171 V HN 0.503 nan 8.190 nan 0.000 0.460 172 K N 4.317 124.437 120.400 -0.467 0.000 2.231 172 K HA 0.293 4.613 4.320 -0.000 0.000 0.275 172 K C 0.460 176.903 176.600 -0.261 0.000 1.105 172 K CA -0.216 55.804 56.287 -0.445 0.000 0.931 172 K CB 0.610 32.586 32.500 -0.873 0.000 1.296 172 K HN 0.875 nan 8.250 nan 0.000 0.446 173 G N 3.854 112.574 108.800 -0.133 0.000 2.224 173 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.239 173 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.239 173 G C -0.060 174.785 174.900 -0.091 0.000 1.240 173 G CA -0.033 45.022 45.100 -0.075 0.000 0.896 173 G HN 0.685 nan 8.290 nan 0.000 0.496 174 H N 1.696 120.630 119.070 -0.227 0.000 2.886 174 H HA 0.036 4.592 4.556 -0.000 0.000 0.329 174 H C 1.882 177.036 175.328 -0.290 0.000 1.044 174 H CA 0.894 56.777 56.048 -0.274 0.000 1.456 174 H CB 1.055 30.553 29.762 -0.440 0.000 1.464 174 H HN 0.553 nan 8.280 nan 0.000 0.573 175 T N 0.977 115.508 114.554 -0.038 0.000 3.113 175 T HA 0.018 4.368 4.350 -0.000 0.000 0.263 175 T C 1.762 176.571 174.700 0.181 0.000 1.143 175 T CA 0.542 62.691 62.100 0.082 0.000 1.090 175 T CB -0.021 68.809 68.868 -0.063 0.000 0.922 175 T HN 0.510 nan 8.240 nan 0.000 0.521 176 A N 2.140 125.131 122.820 0.285 0.000 2.123 176 A HA 0.086 4.406 4.320 -0.000 0.000 0.214 176 A C 1.339 178.959 177.584 0.060 0.000 1.152 176 A CA 0.600 52.709 52.037 0.121 0.000 0.728 176 A CB -0.442 18.569 19.000 0.019 0.000 0.814 176 A HN 0.912 nan 8.150 nan 0.000 0.464 177 H N -3.250 115.832 119.070 0.021 0.000 2.946 177 H HA 0.216 4.772 4.556 -0.000 0.000 0.217 177 H C -2.583 172.669 175.328 -0.126 0.000 1.393 177 H CA -0.770 55.247 56.048 -0.051 0.000 1.306 177 H CB -0.232 29.491 29.762 -0.064 0.000 2.062 177 H HN 0.217 nan 8.280 nan 0.000 0.520 178 P HA -0.133 nan 4.420 nan 0.000 0.215 178 P C 1.780 178.652 177.300 -0.714 0.000 1.153 178 P CA 1.977 64.664 63.100 -0.688 0.000 0.853 178 P CB -0.156 30.739 31.700 -1.340 0.000 0.788 179 G N -0.510 108.008 108.800 -0.469 0.000 2.422 179 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.218 179 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.218 179 G C 1.554 176.489 174.900 0.059 0.000 1.146 179 G CA 1.425 46.547 45.100 0.038 0.000 0.769 179 G HN 0.209 nan 8.290 nan 0.000 0.547 180 T N 1.284 115.873 114.554 0.058 0.000 2.708 180 T HA -0.102 4.248 4.350 -0.000 0.000 0.266 180 T C 2.864 177.615 174.700 0.085 0.000 1.037 180 T CA 1.544 63.689 62.100 0.075 0.000 1.146 180 T CB -0.324 68.579 68.868 0.060 0.000 0.865 180 T HN 0.265 nan 8.240 nan 0.000 0.435 181 S N 1.200 116.972 115.700 0.120 0.000 2.359 181 S HA -0.195 4.274 4.470 -0.000 0.000 0.224 181 S C 2.145 176.796 174.600 0.085 0.000 1.035 181 S CA 1.243 59.512 58.200 0.116 0.000 1.018 181 S CB -0.431 62.822 63.200 0.089 0.000 0.876 181 S HN 0.506 nan 8.310 nan 0.000 0.448 182 Q N 0.491 120.325 119.800 0.057 0.000 2.096 182 Q HA -0.134 4.206 4.340 -0.000 0.000 0.204 182 Q C 2.104 178.161 176.000 0.093 0.000 0.982 182 Q CA 1.456 57.320 55.803 0.102 0.000 0.850 182 Q CB -0.263 28.579 28.738 0.173 0.000 0.901 182 Q HN 0.551 nan 8.270 nan 0.000 0.422 183 I N -0.229 120.389 120.570 0.080 0.000 2.226 183 I HA -0.268 3.902 4.170 -0.000 0.000 0.245 183 I C 2.250 178.384 176.117 0.028 0.000 1.100 183 I CA 0.759 62.092 61.300 0.056 0.000 1.374 183 I CB -0.247 37.784 38.000 0.052 0.000 1.057 183 I HN 0.088 nan 8.210 nan 0.000 0.413 184 V N 1.128 121.057 119.914 0.026 0.000 2.343 184 V HA -0.302 3.818 4.120 -0.000 0.000 0.247 184 V C 2.710 178.770 176.094 -0.058 0.000 1.051 184 V CA 2.019 64.309 62.300 -0.018 0.000 1.036 184 V CB -0.957 30.865 31.823 -0.002 0.000 0.654 184 V HN 0.509 nan 8.190 nan 0.000 0.451 185 A N -0.627 122.209 122.820 0.027 0.000 1.969 185 A HA -0.227 4.093 4.320 -0.000 0.000 0.218 185 A C 2.162 179.763 177.584 0.027 0.000 1.169 185 A CA 1.750 53.835 52.037 0.080 0.000 0.635 185 A CB -0.413 18.731 19.000 0.240 0.000 0.810 185 A HN 0.620 nan 8.150 nan 0.000 0.445 186 E N -0.962 119.254 120.200 0.027 0.000 2.150 186 E HA -0.145 4.205 4.350 -0.000 0.000 0.193 186 E C 1.975 178.564 176.600 -0.019 0.000 0.985 186 E CA 1.124 57.535 56.400 0.017 0.000 0.814 186 E CB -0.293 29.423 29.700 0.027 0.000 0.752 186 E HN 0.695 nan 8.360 nan 0.000 0.466 187 C N 0.396 119.669 119.300 -0.045 0.000 2.453 187 C HA -0.080 4.380 4.460 -0.000 0.000 0.277 187 C C 2.518 177.445 174.990 -0.106 0.000 1.262 187 C CA 0.325 59.304 59.018 -0.065 0.000 1.718 187 C CB -0.676 27.022 27.740 -0.070 0.000 2.031 187 C HN 0.413 nan 8.230 nan 0.000 0.480 188 I N 0.968 121.423 120.570 -0.191 0.000 2.286 188 I HA -0.208 3.962 4.170 -0.000 0.000 0.248 188 I C 2.661 178.691 176.117 -0.143 0.000 1.115 188 I CA 1.701 62.838 61.300 -0.272 0.000 1.392 188 I CB -0.664 36.934 38.000 -0.670 0.000 1.065 188 I HN 0.501 nan 8.210 nan 0.000 0.418 189 E N 0.822 120.978 120.200 -0.075 0.000 2.051 189 E HA -0.279 4.070 4.350 -0.000 0.000 0.192 189 E C 2.243 178.830 176.600 -0.021 0.000 0.991 189 E CA 1.200 57.591 56.400 -0.014 0.000 0.799 189 E CB 0.035 29.746 29.700 0.018 0.000 0.748 189 E HN 0.375 nan 8.360 nan 0.000 0.449 190 Q N 0.069 119.853 119.800 -0.027 0.000 2.084 190 Q HA -0.120 4.220 4.340 -0.000 0.000 0.202 190 Q C 2.123 178.110 176.000 -0.023 0.000 0.978 190 Q CA 1.458 57.249 55.803 -0.020 0.000 0.844 190 Q CB -0.365 28.362 28.738 -0.018 0.000 0.898 190 Q HN 0.423 nan 8.270 nan 0.000 0.426 191 A N 0.580 123.377 122.820 -0.038 0.000 1.902 191 A HA -0.153 4.167 4.320 -0.000 0.000 0.217 191 A C 2.241 179.815 177.584 -0.018 0.000 1.181 191 A CA 1.161 53.179 52.037 -0.032 0.000 0.623 191 A CB -0.721 18.248 19.000 -0.051 0.000 0.818 191 A HN 0.350 nan 8.150 nan 0.000 0.443 192 L N -0.889 120.320 121.223 -0.024 0.000 2.093 192 L HA -0.184 4.156 4.340 -0.000 0.000 0.208 192 L C 2.579 179.448 176.870 -0.002 0.000 1.085 192 L CA 1.525 56.359 54.840 -0.010 0.000 0.755 192 L CB -0.354 41.693 42.059 -0.020 0.000 0.904 192 L HN 0.359 nan 8.230 nan 0.000 0.435 193 K N -0.363 120.034 120.400 -0.004 0.000 2.025 193 K HA -0.188 4.132 4.320 -0.000 0.000 0.207 193 K C 2.173 178.775 176.600 0.003 0.000 1.049 193 K CA 1.307 57.594 56.287 -0.000 0.000 0.933 193 K CB -0.115 32.384 32.500 -0.001 0.000 0.714 193 K HN 0.363 nan 8.250 nan 0.000 0.438 194 Q N 0.499 120.300 119.800 0.001 0.000 2.084 194 Q HA -0.139 4.201 4.340 -0.000 0.000 0.202 194 Q C 1.648 177.654 176.000 0.010 0.000 0.978 194 Q CA 1.047 56.852 55.803 0.004 0.000 0.844 194 Q CB 0.122 28.860 28.738 0.001 0.000 0.898 194 Q HN 0.238 nan 8.270 nan 0.000 0.426 195 E N 0.547 120.755 120.200 0.014 0.000 2.482 195 E HA -0.079 4.271 4.350 -0.000 0.000 0.196 195 E C -0.232 176.384 176.600 0.028 0.000 1.047 195 E CA 0.241 56.656 56.400 0.025 0.000 0.869 195 E CB 0.138 29.860 29.700 0.036 0.000 0.836 195 E HN 0.349 nan 8.360 nan 0.000 0.520 196 Q N -0.004 119.808 119.800 0.020 0.000 2.459 196 Q HA -0.192 4.148 4.340 -0.000 0.000 0.322 196 Q C -0.646 175.370 176.000 0.027 0.000 1.427 196 Q CA 0.378 56.193 55.803 0.019 0.000 0.861 196 Q CB -1.747 27.002 28.738 0.019 0.000 1.137 196 Q HN 0.239 nan 8.270 nan 0.000 0.394 197 L N -0.411 120.826 121.223 0.025 0.000 2.323 197 L HA 0.634 4.974 4.340 -0.000 0.000 0.265 197 L C -2.081 174.787 176.870 -0.002 0.000 1.012 197 L CA -2.579 52.278 54.840 0.029 0.000 0.820 197 L CB 1.491 43.583 42.059 0.055 0.000 1.334 197 L HN -0.103 nan 8.230 nan 0.000 0.427 198 P HA 0.008 nan 4.420 nan 0.000 0.264 198 P C -0.073 177.188 177.300 -0.065 0.000 1.193 198 P CA -0.184 62.892 63.100 -0.040 0.000 0.763 198 P CB 0.496 32.167 31.700 -0.048 0.000 0.810 199 Q N 2.740 122.513 119.800 -0.045 0.000 2.226 199 Q HA -0.137 4.202 4.340 -0.000 0.000 0.204 199 Q C 1.852 177.816 176.000 -0.061 0.000 0.975 199 Q CA 1.639 57.421 55.803 -0.035 0.000 0.866 199 Q CB -0.748 27.979 28.738 -0.019 0.000 0.915 199 Q HN 0.583 nan 8.270 nan 0.000 0.440 200 A N 0.341 123.106 122.820 -0.091 0.000 2.248 200 A HA -0.068 4.252 4.320 -0.000 0.000 0.210 200 A C 1.959 179.431 177.584 -0.187 0.000 1.174 200 A CA 0.344 52.305 52.037 -0.127 0.000 0.750 200 A CB -0.637 18.294 19.000 -0.113 0.000 0.780 200 A HN 0.303 nan 8.150 nan 0.000 0.478 201 I N -2.297 118.136 120.570 -0.229 0.000 2.394 201 I HA -0.069 4.100 4.170 -0.000 0.000 0.251 201 I C 0.524 176.503 176.117 -0.230 0.000 1.136 201 I CA 0.910 61.961 61.300 -0.415 0.000 1.425 201 I CB 0.050 37.687 38.000 -0.605 0.000 1.079 201 I HN 0.431 nan 8.210 nan 0.000 0.425 202 F N 0.186 119.985 119.950 -0.250 0.000 2.573 202 F HA 0.401 4.927 4.527 -0.000 0.000 0.316 202 F C -0.798 174.915 175.800 -0.146 0.000 1.148 202 F CA -0.420 57.466 58.000 -0.189 0.000 0.940 202 F CB 1.531 40.439 39.000 -0.154 0.000 1.214 202 F HN -0.397 nan 8.300 nan 0.000 0.448 203 T N 7.102 121.143 114.554 -0.854 0.000 2.881 203 T HA 0.513 4.863 4.350 -0.000 0.000 0.290 203 T C -1.551 172.695 174.700 -0.756 0.000 1.000 203 T CA -0.491 61.258 62.100 -0.586 0.000 0.978 203 T CB 1.625 70.270 68.868 -0.371 0.000 0.997 203 T HN 0.601 nan 8.240 nan 0.000 0.443 204 L N 4.434 125.422 121.223 -0.391 0.000 2.296 204 L HA 0.686 5.026 4.340 -0.000 0.000 0.286 204 L C -1.360 175.459 176.870 -0.085 0.000 1.023 204 L CA -0.454 54.257 54.840 -0.215 0.000 0.812 204 L CB 0.481 42.570 42.059 0.049 0.000 1.223 204 L HN 0.604 nan 8.230 nan 0.000 0.421 205 L N 4.783 125.961 121.223 -0.075 0.000 2.334 205 L HA 0.625 4.965 4.340 -0.000 0.000 0.273 205 L C -0.443 176.533 176.870 0.177 0.000 1.013 205 L CA -0.748 54.156 54.840 0.106 0.000 0.816 205 L CB 1.860 43.894 42.059 -0.041 0.000 1.278 205 L HN 0.588 nan 8.230 nan 0.000 0.431 206 Q N 1.348 121.351 119.800 0.338 0.000 2.423 206 Q HA 0.789 5.128 4.340 -0.000 0.000 0.278 206 Q C -0.663 175.359 176.000 0.037 0.000 1.097 206 Q CA -0.828 55.041 55.803 0.110 0.000 0.809 206 Q CB 3.221 32.020 28.738 0.102 0.000 1.391 206 Q HN 0.831 nan 8.270 nan 0.000 0.428 207 G N 1.349 110.123 108.800 -0.043 0.000 2.378 207 G HA2 0.057 4.017 3.960 -0.000 0.000 0.302 207 G HA3 0.057 4.017 3.960 -0.000 0.000 0.302 207 G C -0.607 173.945 174.900 -0.580 0.000 1.669 207 G CA -0.678 44.241 45.100 -0.302 0.000 0.920 207 G HN 0.594 nan 8.290 nan 0.000 0.697 208 N N -0.116 118.098 118.700 -0.811 0.000 2.251 208 N HA 0.064 4.804 4.740 -0.000 0.000 0.217 208 N C 0.134 175.477 175.510 -0.277 0.000 1.124 208 N CA -0.056 52.636 53.050 -0.598 0.000 0.843 208 N CB 0.714 38.772 38.487 -0.715 0.000 1.024 208 N HN 0.625 nan 8.380 nan 0.000 0.501 209 Q N 0.571 120.252 119.800 -0.198 0.000 2.347 209 Q HA 0.344 4.684 4.340 -0.000 0.000 0.262 209 Q C 0.385 176.355 176.000 -0.050 0.000 0.980 209 Q CA -0.812 54.934 55.803 -0.095 0.000 0.867 209 Q CB 1.704 30.404 28.738 -0.063 0.000 1.242 209 Q HN -0.033 nan 8.270 nan 0.000 0.453 210 R N 1.328 121.811 120.500 -0.028 0.000 2.211 210 R HA -0.177 4.163 4.340 -0.000 0.000 0.240 210 R C 1.641 177.961 176.300 0.034 0.000 1.144 210 R CA 1.178 57.285 56.100 0.012 0.000 0.992 210 R CB -0.785 29.521 30.300 0.010 0.000 0.869 210 R HN 0.707 nan 8.270 nan 0.000 0.462 211 A N 1.172 124.003 122.820 0.019 0.000 1.978 211 A HA -0.167 4.152 4.320 -0.000 0.000 0.220 211 A C 2.158 179.771 177.584 0.049 0.000 1.170 211 A CA 1.168 53.222 52.037 0.029 0.000 0.636 211 A CB -0.422 18.589 19.000 0.018 0.000 0.810 211 A HN 0.243 nan 8.150 nan 0.000 0.448 212 L N 0.110 121.361 121.223 0.046 0.000 1.970 212 L HA -0.049 4.291 4.340 -0.000 0.000 0.212 212 L C 2.430 179.363 176.870 0.105 0.000 1.071 212 L CA 2.632 57.506 54.840 0.057 0.000 0.751 212 L CB -1.295 40.785 42.059 0.035 0.000 0.889 212 L HN 0.277 nan 8.230 nan 0.000 0.432 213 G N -1.637 107.267 108.800 0.174 0.000 2.442 213 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.219 213 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.219 213 G C 1.479 176.570 174.900 0.318 0.000 1.141 213 G CA 0.898 46.229 45.100 0.386 0.000 0.763 213 G HN 0.576 nan 8.290 nan 0.000 0.554 214 Q N 0.059 119.961 119.800 0.170 0.000 2.079 214 Q HA 0.078 4.418 4.340 -0.000 0.000 0.200 214 Q C 2.980 179.043 176.000 0.105 0.000 0.974 214 Q CA 1.331 57.199 55.803 0.109 0.000 0.840 214 Q CB -0.235 28.537 28.738 0.057 0.000 0.898 214 Q HN 0.480 nan 8.270 nan 0.000 0.430 215 A N 0.455 123.334 122.820 0.098 0.000 1.930 215 A HA -0.141 4.179 4.320 -0.000 0.000 0.217 215 A C 1.982 179.641 177.584 0.126 0.000 1.175 215 A CA 0.927 53.019 52.037 0.091 0.000 0.627 215 A CB -0.484 18.561 19.000 0.075 0.000 0.815 215 A HN 0.347 nan 8.150 nan 0.000 0.443 216 L N -0.107 121.195 121.223 0.132 0.000 2.027 216 L HA -0.073 4.267 4.340 -0.000 0.000 0.206 216 L C 2.330 179.306 176.870 0.176 0.000 1.074 216 L CA 1.878 56.790 54.840 0.120 0.000 0.745 216 L CB -0.596 41.503 42.059 0.066 0.000 0.898 216 L HN 0.131 nan 8.230 nan 0.000 0.433 217 V N -0.850 119.208 119.914 0.240 0.000 2.490 217 V HA -0.204 3.915 4.120 -0.000 0.000 0.250 217 V C 2.319 178.491 176.094 0.131 0.000 1.061 217 V CA 1.806 64.243 62.300 0.229 0.000 1.064 217 V CB -0.470 31.501 31.823 0.247 0.000 0.670 217 V HN 0.510 nan 8.190 nan 0.000 0.461 218 S N -2.459 113.302 115.700 0.101 0.000 2.548 218 S HA 0.047 4.517 4.470 -0.000 0.000 0.215 218 S C 0.878 175.499 174.600 0.037 0.000 0.976 218 S CA -0.235 57.991 58.200 0.043 0.000 0.908 218 S CB -0.300 62.909 63.200 0.015 0.000 0.781 218 S HN 0.637 nan 8.310 nan 0.000 0.519 219 H N 4.001 123.078 119.070 0.011 0.000 3.004 219 H HA 0.049 4.604 4.556 -0.000 0.000 0.316 219 H C -1.678 173.645 175.328 -0.008 0.000 1.014 219 H CA -1.087 54.959 56.048 -0.003 0.000 1.454 219 H CB 1.189 30.945 29.762 -0.009 0.000 1.472 219 H HN 0.069 nan 8.280 nan 0.000 0.571 220 P HA -0.140 nan 4.420 nan 0.000 0.221 220 P C 0.712 178.070 177.300 0.096 0.000 1.145 220 P CA 0.972 64.044 63.100 -0.046 0.000 0.795 220 P CB 0.510 32.132 31.700 -0.130 0.000 0.775 221 E N -0.752 119.645 120.200 0.329 0.000 2.435 221 E HA 0.067 4.417 4.350 -0.000 0.000 0.195 221 E C 0.948 177.616 176.600 0.114 0.000 1.029 221 E CA 0.036 56.560 56.400 0.208 0.000 0.865 221 E CB -0.015 29.800 29.700 0.192 0.000 0.833 221 E HN 0.290 nan 8.360 nan 0.000 0.510 222 I N 1.714 122.364 120.570 0.134 0.000 2.441 222 I HA 0.020 4.190 4.170 -0.000 0.000 0.287 222 I C 1.221 177.379 176.117 0.069 0.000 1.049 222 I CA 0.089 61.430 61.300 0.068 0.000 1.381 222 I CB 1.013 39.062 38.000 0.081 0.000 1.409 222 I HN -0.237 nan 8.210 nan 0.000 0.523 223 K N 4.348 124.789 120.400 0.068 0.000 2.374 223 K HA 0.524 4.844 4.320 -0.000 0.000 0.202 223 K C -0.098 176.581 176.600 0.131 0.000 1.040 223 K CA 0.041 56.378 56.287 0.083 0.000 1.085 223 K CB 1.161 33.710 32.500 0.083 0.000 0.873 223 K HN 0.687 nan 8.250 nan 0.000 0.539 224 A N -0.075 122.845 122.820 0.167 0.000 2.583 224 A HA 0.601 4.921 4.320 -0.000 0.000 0.292 224 A C -1.573 176.178 177.584 0.278 0.000 1.045 224 A CA -0.617 51.593 52.037 0.288 0.000 0.672 224 A CB 1.244 20.586 19.000 0.569 0.000 1.283 224 A HN -0.147 nan 8.150 nan 0.000 0.419 225 V N 0.139 120.236 119.914 0.306 0.000 2.760 225 V HA 0.782 4.902 4.120 -0.000 0.000 0.309 225 V C 0.473 176.697 176.094 0.217 0.000 1.077 225 V CA -0.026 62.368 62.300 0.156 0.000 0.910 225 V CB 2.137 33.912 31.823 -0.080 0.000 1.008 225 V HN 1.661 nan 8.190 nan 0.000 0.424 226 G N 2.511 111.492 108.800 0.302 0.000 2.417 226 G HA2 0.717 4.677 3.960 -0.000 0.000 0.320 226 G HA3 0.717 4.677 3.960 -0.000 0.000 0.320 226 G C -1.624 173.482 174.900 0.343 0.000 1.204 226 G CA -0.373 44.974 45.100 0.410 0.000 0.923 226 G HN 0.558 nan 8.290 nan 0.000 0.466 227 F N 1.683 121.698 119.950 0.108 0.000 2.591 227 F HA 0.716 5.242 4.527 -0.000 0.000 0.309 227 F C -0.682 175.253 175.800 0.225 0.000 1.098 227 F CA -0.594 57.500 58.000 0.157 0.000 0.937 227 F CB 2.588 41.580 39.000 -0.014 0.000 1.250 227 F HN 0.404 nan 8.300 nan 0.000 0.447 228 T N 4.179 118.482 114.554 -0.418 0.000 2.949 228 T HA 0.771 5.121 4.350 -0.000 0.000 0.300 228 T C -0.285 174.086 174.700 -0.549 0.000 0.988 228 T CA -0.295 61.690 62.100 -0.192 0.000 0.993 228 T CB 1.090 69.996 68.868 0.064 0.000 0.984 228 T HN 1.149 nan 8.240 nan 0.000 0.442 229 G N 1.855 110.510 108.800 -0.243 0.000 2.399 229 G HA2 0.477 4.437 3.960 -0.000 0.000 0.256 229 G HA3 0.477 4.437 3.960 -0.000 0.000 0.256 229 G C -0.619 174.387 174.900 0.175 0.000 1.236 229 G CA -0.270 44.760 45.100 -0.117 0.000 0.914 229 G HN 0.944 nan 8.290 nan 0.000 0.482 230 S N -0.569 115.248 115.700 0.195 0.000 2.572 230 S HA 0.341 4.810 4.470 -0.000 0.000 0.279 230 S C 1.462 176.170 174.600 0.180 0.000 1.341 230 S CA 0.389 58.676 58.200 0.146 0.000 1.043 230 S CB 1.639 64.899 63.200 0.099 0.000 0.887 230 S HN 1.816 nan 8.310 nan 0.000 0.516 231 V N 3.671 123.634 119.914 0.081 0.000 2.407 231 V HA 0.011 4.131 4.120 -0.000 0.000 0.248 231 V C 2.217 178.317 176.094 0.012 0.000 1.055 231 V CA 2.634 64.945 62.300 0.018 0.000 1.049 231 V CB -1.451 30.356 31.823 -0.026 0.000 0.662 231 V HN 1.090 nan 8.190 nan 0.000 0.455 232 G N -0.366 108.453 108.800 0.030 0.000 2.480 232 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.216 232 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.216 232 G C 1.586 176.479 174.900 -0.011 0.000 1.200 232 G CA 0.860 45.970 45.100 0.016 0.000 0.782 232 G HN 0.677 nan 8.290 nan 0.000 0.554 233 G N 0.527 109.336 108.800 0.016 0.000 2.403 233 G HA2 0.136 4.096 3.960 -0.000 0.000 0.216 233 G HA3 0.136 4.096 3.960 -0.000 0.000 0.216 233 G C 1.776 176.540 174.900 -0.227 0.000 1.154 233 G CA 1.327 46.412 45.100 -0.025 0.000 0.784 233 G HN 0.626 nan 8.290 nan 0.000 0.538 234 G N 0.754 109.389 108.800 -0.275 0.000 2.446 234 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.217 234 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.217 234 G C 1.892 176.520 174.900 -0.454 0.000 1.168 234 G CA 1.207 45.852 45.100 -0.758 0.000 0.771 234 G HN 0.434 nan 8.290 nan 0.000 0.551 235 R N 1.219 121.594 120.500 -0.208 0.000 2.115 235 R HA 0.199 4.539 4.340 -0.000 0.000 0.230 235 R C 2.681 178.909 176.300 -0.119 0.000 1.111 235 R CA 1.611 57.639 56.100 -0.119 0.000 0.976 235 R CB -0.907 29.392 30.300 -0.003 0.000 0.870 235 R HN 0.241 nan 8.270 nan 0.000 0.445 236 A N 0.483 123.216 122.820 -0.145 0.000 1.877 236 A HA -0.082 4.238 4.320 -0.000 0.000 0.216 236 A C 2.228 179.697 177.584 -0.193 0.000 1.186 236 A CA 1.481 53.443 52.037 -0.125 0.000 0.620 236 A CB -0.600 18.343 19.000 -0.095 0.000 0.822 236 A HN 0.348 nan 8.150 nan 0.000 0.443 237 L N -2.013 119.026 121.223 -0.308 0.000 2.141 237 L HA -0.109 4.231 4.340 -0.000 0.000 0.209 237 L C 2.450 178.963 176.870 -0.595 0.000 1.094 237 L CA 1.279 55.921 54.840 -0.331 0.000 0.763 237 L CB -0.495 41.378 42.059 -0.310 0.000 0.908 237 L HN 0.541 nan 8.230 nan 0.000 0.437 238 F N 1.534 120.789 119.950 -1.159 0.000 2.075 238 F HA -0.232 4.295 4.527 -0.000 0.000 0.297 238 F C 2.380 177.926 175.800 -0.423 0.000 1.113 238 F CA 1.701 58.918 58.000 -1.305 0.000 1.218 238 F CB -0.288 38.142 39.000 -0.951 0.000 0.984 238 F HN 0.098 nan 8.300 nan 0.000 0.472 239 N N 1.039 119.617 118.700 -0.203 0.000 2.149 239 N HA -0.200 4.539 4.740 -0.000 0.000 0.188 239 N C 2.095 177.489 175.510 -0.193 0.000 1.019 239 N CA 1.655 54.609 53.050 -0.160 0.000 0.857 239 N CB -0.755 37.705 38.487 -0.046 0.000 0.997 239 N HN 0.385 nan 8.380 nan 0.000 0.426 240 L N 0.698 121.809 121.223 -0.187 0.000 2.042 240 L HA -0.142 4.197 4.340 -0.000 0.000 0.210 240 L C 2.299 179.069 176.870 -0.166 0.000 1.076 240 L CA 1.201 55.960 54.840 -0.135 0.000 0.749 240 L CB -0.442 41.563 42.059 -0.089 0.000 0.893 240 L HN 0.136 nan 8.230 nan 0.000 0.432 241 A N -0.992 121.686 122.820 -0.237 0.000 2.019 241 A HA -0.234 4.086 4.320 -0.000 0.000 0.219 241 A C 1.639 178.885 177.584 -0.563 0.000 1.164 241 A CA 1.603 53.461 52.037 -0.299 0.000 0.644 241 A CB -0.719 18.156 19.000 -0.208 0.000 0.805 241 A HN 0.534 nan 8.150 nan 0.000 0.449 242 H N -1.085 117.762 119.070 -0.373 0.000 2.586 242 H HA 0.249 4.805 4.556 -0.000 0.000 0.273 242 H C 1.201 176.413 175.328 -0.192 0.000 0.997 242 H CA 0.539 56.401 56.048 -0.312 0.000 1.177 242 H CB 0.400 29.890 29.762 -0.453 0.000 1.471 242 H HN 0.632 nan 8.280 nan 0.000 0.538 243 E N 0.240 120.371 120.200 -0.115 0.000 2.476 243 E HA 0.102 4.452 4.350 -0.000 0.000 0.199 243 E C 0.249 176.801 176.600 -0.079 0.000 1.021 243 E CA -0.183 56.171 56.400 -0.077 0.000 0.907 243 E CB 0.615 30.274 29.700 -0.068 0.000 0.974 243 E HN 0.292 nan 8.360 nan 0.000 0.489 244 R N 1.420 121.857 120.500 -0.105 0.000 2.756 244 R HA -0.017 4.323 4.340 -0.000 0.000 0.264 244 R C -1.636 174.620 176.300 -0.073 0.000 1.026 244 R CA -0.828 55.218 56.100 -0.089 0.000 1.121 244 R CB -0.131 30.108 30.300 -0.103 0.000 0.999 244 R HN -0.091 nan 8.270 nan 0.000 0.449 245 P HA -0.192 nan 4.420 nan 0.000 0.216 245 P C -0.334 176.938 177.300 -0.047 0.000 1.150 245 P CA 1.373 64.444 63.100 -0.048 0.000 0.843 245 P CB 0.221 31.895 31.700 -0.045 0.000 0.787 246 E N -0.338 119.829 120.200 -0.055 0.000 2.183 246 E HA 0.265 4.615 4.350 -0.000 0.000 0.250 246 E C -2.564 173.985 176.600 -0.085 0.000 0.901 246 E CA -2.886 53.483 56.400 -0.052 0.000 0.741 246 E CB 0.803 30.482 29.700 -0.035 0.000 1.182 246 E HN -0.009 nan 8.360 nan 0.000 0.425 247 P HA 0.049 nan 4.420 nan 0.000 0.266 247 P C -0.627 176.549 177.300 -0.207 0.000 1.195 247 P CA 0.319 63.289 63.100 -0.216 0.000 0.768 247 P CB 0.359 31.973 31.700 -0.144 0.000 0.838 248 I N -0.093 120.288 120.570 -0.315 0.000 2.689 248 I HA 0.658 4.828 4.170 -0.000 0.000 0.299 248 I C -2.797 173.207 176.117 -0.188 0.000 1.059 248 I CA -3.570 57.633 61.300 -0.162 0.000 1.055 248 I CB 2.130 40.097 38.000 -0.055 0.000 1.243 248 I HN 0.045 nan 8.210 nan 0.000 0.425 249 P HA 0.105 nan 4.420 nan 0.000 0.265 249 P C -1.310 175.886 177.300 -0.174 0.000 1.193 249 P CA 0.450 63.432 63.100 -0.197 0.000 0.765 249 P CB 0.117 31.669 31.700 -0.246 0.000 0.823 250 F N 4.130 123.880 119.950 -0.334 0.000 2.577 250 F HA 0.385 4.912 4.527 -0.000 0.000 0.344 250 F C -1.215 174.510 175.800 -0.125 0.000 1.145 250 F CA -0.866 57.093 58.000 -0.068 0.000 0.996 250 F CB 0.751 39.868 39.000 0.195 0.000 1.248 250 F HN 0.212 nan 8.300 nan 0.000 0.447 251 Y N 4.542 124.900 120.300 0.097 0.000 2.700 251 Y HA 0.571 5.120 4.550 -0.000 0.000 0.333 251 Y C 0.628 176.654 175.900 0.210 0.000 1.036 251 Y CA -1.000 57.207 58.100 0.178 0.000 1.287 251 Y CB 1.188 39.671 38.460 0.038 0.000 1.132 251 Y HN 0.682 nan 8.280 nan 0.000 0.510 252 G N 1.810 110.908 108.800 0.497 0.000 2.530 252 G HA2 0.539 4.499 3.960 -0.000 0.000 0.316 252 G HA3 0.539 4.499 3.960 -0.000 0.000 0.316 252 G C -1.139 174.017 174.900 0.426 0.000 1.298 252 G CA -0.834 44.605 45.100 0.565 0.000 0.948 252 G HN 0.334 nan 8.290 nan 0.000 0.486 253 E N 1.896 122.331 120.200 0.392 0.000 2.081 253 E HA 0.320 4.670 4.350 -0.000 0.000 0.281 253 E C 0.924 177.664 176.600 0.233 0.000 0.986 253 E CA -0.342 56.199 56.400 0.236 0.000 0.796 253 E CB 1.616 31.439 29.700 0.205 0.000 1.085 253 E HN 0.370 nan 8.360 nan 0.000 0.398 254 L N 1.505 122.802 121.223 0.123 0.000 2.554 254 L HA 0.459 4.799 4.340 -0.000 0.000 0.225 254 L C 0.901 177.794 176.870 0.038 0.000 1.104 254 L CA 0.066 54.961 54.840 0.092 0.000 0.866 254 L CB 0.035 42.060 42.059 -0.055 0.000 1.047 254 L HN 0.617 nan 8.230 nan 0.000 0.468 255 G N -0.062 108.752 108.800 0.024 0.000 2.347 255 G HA2 0.459 4.419 3.960 -0.000 0.000 0.321 255 G HA3 0.459 4.419 3.960 -0.000 0.000 0.321 255 G C -1.844 173.083 174.900 0.045 0.000 1.412 255 G CA -0.204 44.928 45.100 0.053 0.000 0.990 255 G HN 0.277 nan 8.290 nan 0.000 0.637 256 A N -0.758 122.121 122.820 0.099 0.000 2.567 256 A HA 0.765 5.085 4.320 -0.000 0.000 0.291 256 A C 0.027 177.703 177.584 0.153 0.000 1.048 256 A CA 0.219 52.320 52.037 0.108 0.000 0.661 256 A CB 0.763 19.819 19.000 0.093 0.000 1.288 256 A HN 1.886 nan 8.150 nan 0.000 0.424 257 I N 0.307 120.977 120.570 0.166 0.000 4.057 257 I HA 0.106 4.276 4.170 -0.000 0.000 0.334 257 I C -0.141 176.080 176.117 0.173 0.000 1.308 257 I CA -0.058 61.350 61.300 0.181 0.000 1.125 257 I CB -0.189 37.938 38.000 0.213 0.000 1.034 257 I HN 0.703 nan 8.210 nan 0.000 0.401 258 N N 2.750 121.554 118.700 0.174 0.000 2.650 258 N HA -0.117 4.623 4.740 -0.000 0.000 0.272 258 N C -2.296 173.317 175.510 0.172 0.000 1.058 258 N CA 0.415 53.572 53.050 0.178 0.000 0.765 258 N CB -1.139 37.463 38.487 0.191 0.000 0.902 258 N HN 0.338 nan 8.380 nan 0.000 0.551 259 P HA -0.015 nan 4.420 nan 0.000 0.264 259 P C -0.282 177.086 177.300 0.113 0.000 1.183 259 P CA 0.639 63.824 63.100 0.142 0.000 0.763 259 P CB 0.661 32.541 31.700 0.300 0.000 0.807 260 T N 3.906 118.420 114.554 -0.066 0.000 2.841 260 T HA 0.493 4.842 4.350 -0.000 0.000 0.285 260 T C -0.593 173.998 174.700 -0.180 0.000 0.991 260 T CA -0.103 61.999 62.100 0.003 0.000 0.966 260 T CB 0.332 69.246 68.868 0.077 0.000 0.962 260 T HN 0.086 nan 8.240 nan 0.000 0.438 261 F N 3.014 122.999 119.950 0.058 0.000 2.411 261 F HA 0.590 5.117 4.527 -0.000 0.000 0.352 261 F C 0.227 176.003 175.800 -0.039 0.000 1.123 261 F CA -1.114 56.887 58.000 0.001 0.000 1.044 261 F CB 0.926 39.925 39.000 -0.002 0.000 1.135 261 F HN 0.330 nan 8.300 nan 0.000 0.461 262 I N 4.448 124.995 120.570 -0.039 0.000 2.382 262 I HA 0.308 4.477 4.170 -0.000 0.000 0.286 262 I C -0.761 175.272 176.117 -0.141 0.000 1.002 262 I CA -0.599 60.666 61.300 -0.059 0.000 1.135 262 I CB 1.114 38.951 38.000 -0.272 0.000 1.288 262 I HN 0.344 nan 8.210 nan 0.000 0.448 263 F N 7.191 127.132 119.950 -0.015 0.000 2.371 263 F HA 0.318 4.845 4.527 -0.000 0.000 0.329 263 F C -1.304 174.473 175.800 -0.039 0.000 1.107 263 F CA -1.645 56.350 58.000 -0.008 0.000 1.137 263 F CB 0.321 39.337 39.000 0.027 0.000 1.214 263 F HN 0.311 nan 8.300 nan 0.000 0.536 264 P HA -0.216 nan 4.420 nan 0.000 0.216 264 P C 1.635 178.981 177.300 0.077 0.000 1.153 264 P CA 2.357 65.496 63.100 0.065 0.000 0.858 264 P CB -0.005 31.732 31.700 0.063 0.000 0.789 265 S N -0.677 115.088 115.700 0.108 0.000 2.399 265 S HA -0.151 4.319 4.470 -0.000 0.000 0.231 265 S C 2.063 176.702 174.600 0.064 0.000 1.022 265 S CA 1.249 59.490 58.200 0.069 0.000 0.983 265 S CB -1.381 61.846 63.200 0.046 0.000 0.803 265 S HN 0.121 nan 8.310 nan 0.000 0.480 266 A N 1.952 124.824 122.820 0.088 0.000 1.930 266 A HA 0.157 4.477 4.320 -0.000 0.000 0.217 266 A C 2.343 179.961 177.584 0.056 0.000 1.175 266 A CA 1.485 53.566 52.037 0.073 0.000 0.627 266 A CB -0.730 18.329 19.000 0.098 0.000 0.815 266 A HN 0.603 nan 8.150 nan 0.000 0.443 267 M N -1.134 118.491 119.600 0.041 0.000 2.296 267 M HA -0.107 4.373 4.480 -0.000 0.000 0.265 267 M C 2.287 178.631 176.300 0.073 0.000 1.064 267 M CA 1.191 56.527 55.300 0.058 0.000 1.109 267 M CB -0.241 32.374 32.600 0.024 0.000 1.396 267 M HN 0.336 nan 8.290 nan 0.000 0.430 268 R N 0.110 120.644 120.500 0.056 0.000 2.075 268 R HA 0.041 4.381 4.340 -0.000 0.000 0.226 268 R C 2.338 178.667 176.300 0.049 0.000 1.114 268 R CA 1.287 57.417 56.100 0.049 0.000 0.972 268 R CB -0.374 29.949 30.300 0.039 0.000 0.869 268 R HN 0.330 nan 8.270 nan 0.000 0.437 269 A N 1.260 124.110 122.820 0.050 0.000 2.067 269 A HA -0.071 4.249 4.320 -0.000 0.000 0.219 269 A C 0.548 178.167 177.584 0.059 0.000 1.158 269 A CA 1.009 53.075 52.037 0.048 0.000 0.661 269 A CB 0.114 19.142 19.000 0.047 0.000 0.801 269 A HN 0.114 nan 8.150 nan 0.000 0.452 270 K N -0.626 119.818 120.400 0.072 0.000 2.621 270 K HA 0.510 4.830 4.320 -0.000 0.000 0.233 270 K C 0.602 177.255 176.600 0.088 0.000 0.972 270 K CA 0.209 56.547 56.287 0.084 0.000 0.988 270 K CB 1.499 34.063 32.500 0.106 0.000 1.187 270 K HN 0.149 nan 8.250 nan 0.000 0.471 271 A N 2.230 125.090 122.820 0.067 0.000 1.986 271 A HA -0.190 4.130 4.320 -0.000 0.000 0.220 271 A C 1.355 178.971 177.584 0.054 0.000 1.171 271 A CA 1.937 54.008 52.037 0.058 0.000 0.640 271 A CB -0.245 18.778 19.000 0.037 0.000 0.811 271 A HN 0.791 nan 8.150 nan 0.000 0.451 272 D N -0.710 119.722 120.400 0.053 0.000 2.395 272 D HA 0.099 4.738 4.640 -0.000 0.000 0.226 272 D C 1.148 177.484 176.300 0.059 0.000 1.146 272 D CA -0.271 53.747 54.000 0.030 0.000 0.830 272 D CB -0.126 40.685 40.800 0.018 0.000 0.958 272 D HN 0.231 nan 8.370 nan 0.000 0.501 273 L N 1.341 122.644 121.223 0.133 0.000 2.046 273 L HA -0.034 4.305 4.340 -0.000 0.000 0.208 273 L C 2.393 179.396 176.870 0.222 0.000 1.077 273 L CA 1.825 56.817 54.840 0.254 0.000 0.747 273 L CB -0.756 41.499 42.059 0.327 0.000 0.896 273 L HN 0.163 nan 8.230 nan 0.000 0.432 274 A N -0.755 122.038 122.820 -0.045 0.000 1.902 274 A HA -0.252 4.067 4.320 -0.000 0.000 0.217 274 A C 1.914 179.327 177.584 -0.284 0.000 1.181 274 A CA 2.032 53.727 52.037 -0.569 0.000 0.623 274 A CB -0.922 17.614 19.000 -0.773 0.000 0.818 274 A HN 0.539 nan 8.150 nan 0.000 0.443 275 D N -0.540 119.745 120.400 -0.191 0.000 2.117 275 D HA -0.151 4.489 4.640 -0.000 0.000 0.197 275 D C 2.193 178.350 176.300 -0.238 0.000 0.987 275 D CA 1.507 55.394 54.000 -0.190 0.000 0.829 275 D CB -0.262 40.463 40.800 -0.124 0.000 0.961 275 D HN 0.591 nan 8.370 nan 0.000 0.460 276 Q N -0.728 118.953 119.800 -0.198 0.000 2.084 276 Q HA -0.166 4.174 4.340 -0.000 0.000 0.202 276 Q C 1.951 177.467 176.000 -0.806 0.000 0.978 276 Q CA 0.913 56.502 55.803 -0.357 0.000 0.844 276 Q CB -0.214 28.483 28.738 -0.068 0.000 0.898 276 Q HN 0.324 nan 8.270 nan 0.000 0.426 277 F N 0.927 120.352 119.950 -0.875 0.000 2.069 277 F HA -0.217 4.309 4.527 -0.000 0.000 0.298 277 F C 1.982 177.418 175.800 -0.607 0.000 1.113 277 F CA 1.224 58.629 58.000 -0.992 0.000 1.214 277 F CB -0.653 38.143 39.000 -0.340 0.000 0.978 277 F HN -0.200 nan 8.300 nan 0.000 0.474 278 V N 0.841 120.294 119.914 -0.769 0.000 2.469 278 V HA -0.304 3.815 4.120 -0.000 0.000 0.251 278 V C 2.758 178.510 176.094 -0.571 0.000 1.064 278 V CA 1.774 63.628 62.300 -0.744 0.000 1.066 278 V CB -1.719 29.832 31.823 -0.454 0.000 0.667 278 V HN 0.544 nan 8.190 nan 0.000 0.461 279 A N -1.003 121.521 122.820 -0.493 0.000 1.968 279 A HA -0.167 4.152 4.320 -0.000 0.000 0.217 279 A C 2.526 179.859 177.584 -0.419 0.000 1.169 279 A CA 1.885 53.690 52.037 -0.387 0.000 0.638 279 A CB -0.531 18.282 19.000 -0.313 0.000 0.812 279 A HN 0.478 nan 8.150 nan 0.000 0.446 280 S N 0.093 115.473 115.700 -0.533 0.000 2.371 280 S HA -0.156 4.314 4.470 -0.000 0.000 0.224 280 S C 2.170 176.552 174.600 -0.364 0.000 1.029 280 S CA 1.632 59.581 58.200 -0.420 0.000 0.978 280 S CB -0.492 62.463 63.200 -0.408 0.000 0.833 280 S HN 0.671 nan 8.310 nan 0.000 0.466 281 M N 0.898 120.223 119.600 -0.458 0.000 2.476 281 M HA 0.082 4.561 4.480 -0.000 0.000 0.262 281 M C 1.587 177.699 176.300 -0.313 0.000 1.079 281 M CA 1.681 56.764 55.300 -0.362 0.000 1.104 281 M CB -0.799 31.483 32.600 -0.530 0.000 1.409 281 M HN 0.346 nan 8.290 nan 0.000 0.467 282 T N -2.507 111.842 114.554 -0.343 0.000 3.054 282 T HA 0.339 4.689 4.350 -0.000 0.000 0.255 282 T C 0.502 175.058 174.700 -0.240 0.000 1.035 282 T CA -0.497 61.443 62.100 -0.267 0.000 0.941 282 T CB -0.103 68.614 68.868 -0.253 0.000 1.026 282 T HN 0.435 nan 8.240 nan 0.000 0.533 283 M N 2.133 121.547 119.600 -0.310 0.000 2.248 283 M HA 0.396 4.876 4.480 -0.000 0.000 0.345 283 M C 1.281 177.482 176.300 -0.164 0.000 1.243 283 M CA 1.365 56.464 55.300 -0.336 0.000 1.090 283 M CB -0.014 32.203 32.600 -0.639 0.000 1.683 283 M HN 0.548 nan 8.290 nan 0.000 0.450 284 G N 3.514 112.326 108.800 0.020 0.000 2.258 284 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.274 284 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.274 284 G C 0.421 175.324 174.900 0.005 0.000 1.021 284 G CA 0.056 45.249 45.100 0.156 0.000 0.798 284 G HN 1.139 nan 8.290 nan 0.000 0.507 285 C N -2.290 116.963 119.300 -0.079 0.000 4.365 285 C HA 0.026 4.486 4.460 -0.000 0.000 0.299 285 C C 2.419 177.284 174.990 -0.208 0.000 1.409 285 C CA 1.292 60.221 59.018 -0.149 0.000 2.007 285 C CB -1.932 25.718 27.740 -0.150 0.000 1.264 285 C HN 2.723 nan 8.230 nan 0.000 0.777 286 G N -0.570 108.128 108.800 -0.171 0.000 2.168 286 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.263 286 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.263 286 G C 0.161 174.901 174.900 -0.268 0.000 0.977 286 G CA 0.701 45.683 45.100 -0.196 0.000 0.659 286 G HN 0.852 nan 8.290 nan 0.000 0.533 287 Q N -0.451 119.229 119.800 -0.201 0.000 2.412 287 Q HA 0.478 4.818 4.340 -0.000 0.000 0.298 287 Q C -0.487 175.575 176.000 0.104 0.000 0.938 287 Q CA -0.090 55.479 55.803 -0.389 0.000 0.968 287 Q CB 0.100 28.710 28.738 -0.214 0.000 1.187 287 Q HN 0.415 nan 8.270 nan 0.000 0.421 288 F N -0.652 119.284 119.950 -0.023 0.000 2.443 288 F HA 0.131 4.657 4.527 -0.000 0.000 0.335 288 F C 1.315 177.253 175.800 0.231 0.000 1.104 288 F CA -1.711 56.408 58.000 0.198 0.000 1.013 288 F CB 1.003 40.098 39.000 0.158 0.000 1.136 288 F HN 0.252 nan 8.300 nan 0.000 0.470 289 C N -1.499 118.002 119.300 0.335 0.000 2.432 289 C HA -0.065 4.395 4.460 -0.000 0.000 0.282 289 C C 1.902 177.051 174.990 0.266 0.000 1.388 289 C CA 0.912 60.093 59.018 0.272 0.000 1.777 289 C CB -1.964 25.849 27.740 0.122 0.000 1.882 289 C HN 0.869 nan 8.230 nan 0.000 0.520 290 T N -2.339 112.411 114.554 0.326 0.000 3.186 290 T HA 0.130 4.480 4.350 -0.000 0.000 0.257 290 T C 0.364 175.234 174.700 0.283 0.000 1.029 290 T CA -0.249 62.030 62.100 0.299 0.000 0.916 290 T CB -0.329 68.737 68.868 0.330 0.000 1.041 290 T HN 0.641 nan 8.240 nan 0.000 0.562 291 K N 3.423 123.988 120.400 0.276 0.000 2.451 291 K HA 0.105 4.425 4.320 -0.000 0.000 0.280 291 K C -2.388 174.331 176.600 0.198 0.000 1.020 291 K CA -1.588 54.812 56.287 0.189 0.000 1.008 291 K CB 0.429 33.006 32.500 0.129 0.000 0.917 291 K HN 0.112 nan 8.250 nan 0.000 0.478 292 P HA 0.018 nan 4.420 nan 0.000 0.268 292 P C 0.114 177.565 177.300 0.250 0.000 1.282 292 P CA 0.041 63.318 63.100 0.295 0.000 0.880 292 P CB 0.747 32.740 31.700 0.489 0.000 0.971 293 G N 2.742 111.652 108.800 0.183 0.000 2.683 293 G HA2 0.123 4.083 3.960 -0.000 0.000 0.213 293 G HA3 0.123 4.083 3.960 -0.000 0.000 0.213 293 G C 0.054 175.001 174.900 0.078 0.000 1.142 293 G CA 0.198 45.387 45.100 0.150 0.000 0.793 293 G HN 0.515 nan 8.290 nan 0.000 0.534 294 V N 0.327 120.226 119.914 -0.026 0.000 2.777 294 V HA 0.604 4.724 4.120 -0.000 0.000 0.306 294 V C -1.528 174.277 176.094 -0.481 0.000 1.112 294 V CA -0.688 61.427 62.300 -0.308 0.000 0.917 294 V CB 2.373 33.898 31.823 -0.497 0.000 1.018 294 V HN -0.114 nan 8.190 nan 0.000 0.426 295 V N 7.493 127.047 119.914 -0.601 0.000 2.409 295 V HA 0.555 4.675 4.120 -0.000 0.000 0.291 295 V C -0.655 174.959 176.094 -0.801 0.000 1.020 295 V CA -0.436 61.500 62.300 -0.607 0.000 0.848 295 V CB 1.535 33.036 31.823 -0.537 0.000 0.990 295 V HN 0.732 nan 8.190 nan 0.000 0.430 296 F N 3.502 123.100 119.950 -0.587 0.000 2.408 296 F HA 0.796 5.323 4.527 -0.000 0.000 0.344 296 F C 0.582 176.133 175.800 -0.414 0.000 1.112 296 F CA -0.157 57.520 58.000 -0.539 0.000 1.096 296 F CB 1.610 40.190 39.000 -0.700 0.000 1.129 296 F HN 0.583 nan 8.300 nan 0.000 0.486 297 A N 3.581 126.292 122.820 -0.182 0.000 2.566 297 A HA 0.831 5.151 4.320 -0.000 0.000 0.292 297 A C -1.288 176.205 177.584 -0.152 0.000 1.112 297 A CA -0.822 51.080 52.037 -0.226 0.000 0.707 297 A CB 1.289 20.102 19.000 -0.311 0.000 1.302 297 A HN 0.684 nan 8.150 nan 0.000 0.409 298 L N 0.728 121.857 121.223 -0.155 0.000 2.399 298 L HA 0.339 4.679 4.340 -0.000 0.000 0.266 298 L C 0.884 177.718 176.870 -0.061 0.000 1.114 298 L CA -0.426 54.358 54.840 -0.093 0.000 0.804 298 L CB 0.941 42.951 42.059 -0.081 0.000 1.146 298 L HN 0.908 nan 8.230 nan 0.000 0.451 299 N N 1.166 119.849 118.700 -0.029 0.000 2.971 299 N HA 0.036 4.775 4.740 -0.000 0.000 0.294 299 N C -0.650 174.857 175.510 -0.005 0.000 1.210 299 N CA -0.247 52.796 53.050 -0.012 0.000 1.157 299 N CB 0.147 38.636 38.487 0.003 0.000 1.450 299 N HN 0.692 nan 8.380 nan 0.000 0.527 300 T N -1.268 113.280 114.554 -0.009 0.000 2.907 300 T HA 0.390 4.740 4.350 -0.000 0.000 0.290 300 T C -2.133 172.572 174.700 0.009 0.000 1.066 300 T CA -1.735 60.366 62.100 0.002 0.000 1.012 300 T CB 1.775 70.644 68.868 0.003 0.000 1.184 300 T HN -0.110 nan 8.240 nan 0.000 0.522 301 P HA -0.042 nan 4.420 nan 0.000 0.218 301 P C 1.121 178.441 177.300 0.032 0.000 1.148 301 P CA 1.043 64.157 63.100 0.022 0.000 0.822 301 P CB 0.064 31.777 31.700 0.021 0.000 0.784 302 E N -1.161 119.056 120.200 0.030 0.000 2.085 302 E HA -0.145 4.205 4.350 -0.000 0.000 0.194 302 E C 1.976 178.614 176.600 0.063 0.000 0.994 302 E CA 1.748 58.174 56.400 0.044 0.000 0.801 302 E CB -1.229 28.488 29.700 0.027 0.000 0.743 302 E HN 0.216 nan 8.360 nan 0.000 0.453 303 T N 0.271 114.835 114.554 0.017 0.000 2.777 303 T HA -0.175 4.175 4.350 -0.000 0.000 0.266 303 T C 1.811 176.565 174.700 0.091 0.000 1.040 303 T CA 1.345 63.451 62.100 0.009 0.000 1.141 303 T CB -0.199 68.633 68.868 -0.060 0.000 0.868 303 T HN 0.043 nan 8.240 nan 0.000 0.444 304 Q N 1.448 121.282 119.800 0.057 0.000 2.084 304 Q HA 0.060 4.400 4.340 -0.000 0.000 0.202 304 Q C 2.280 178.320 176.000 0.066 0.000 0.978 304 Q CA 1.857 57.691 55.803 0.052 0.000 0.844 304 Q CB -0.747 28.009 28.738 0.030 0.000 0.898 304 Q HN 0.500 nan 8.270 nan 0.000 0.426 305 A N -0.532 122.334 122.820 0.075 0.000 1.898 305 A HA -0.128 4.192 4.320 -0.000 0.000 0.216 305 A C 2.028 179.664 177.584 0.087 0.000 1.181 305 A CA 1.280 53.356 52.037 0.065 0.000 0.620 305 A CB -1.000 18.037 19.000 0.063 0.000 0.819 305 A HN 0.537 nan 8.150 nan 0.000 0.442 306 F N 0.769 120.706 119.950 -0.021 0.000 2.069 306 F HA -0.205 4.322 4.527 -0.000 0.000 0.298 306 F C 2.039 177.826 175.800 -0.023 0.000 1.113 306 F CA 2.011 59.997 58.000 -0.023 0.000 1.214 306 F CB -0.258 38.717 39.000 -0.043 0.000 0.978 306 F HN 0.185 nan 8.300 nan 0.000 0.474 307 I N 0.307 121.008 120.570 0.219 0.000 2.151 307 I HA -0.337 3.833 4.170 -0.000 0.000 0.243 307 I C 2.330 178.430 176.117 -0.029 0.000 1.080 307 I CA 1.951 63.305 61.300 0.090 0.000 1.339 307 I CB -0.646 37.405 38.000 0.084 0.000 1.039 307 I HN 0.272 nan 8.210 nan 0.000 0.409 308 E N 0.042 120.229 120.200 -0.021 0.000 2.110 308 E HA -0.178 4.172 4.350 -0.000 0.000 0.193 308 E C 2.118 178.669 176.600 -0.082 0.000 0.988 308 E CA 1.760 58.133 56.400 -0.045 0.000 0.804 308 E CB -0.038 29.648 29.700 -0.024 0.000 0.745 308 E HN 0.499 nan 8.360 nan 0.000 0.458 309 T N 0.684 115.169 114.554 -0.116 0.000 2.737 309 T HA -0.117 4.233 4.350 -0.000 0.000 0.265 309 T C 2.008 176.595 174.700 -0.188 0.000 1.038 309 T CA 1.128 63.139 62.100 -0.149 0.000 1.144 309 T CB -0.232 68.528 68.868 -0.180 0.000 0.866 309 T HN 0.235 nan 8.240 nan 0.000 0.434 310 A N 1.538 124.204 122.820 -0.256 0.000 1.883 310 A HA -0.221 4.099 4.320 -0.000 0.000 0.217 310 A C 2.298 179.788 177.584 -0.156 0.000 1.186 310 A CA 1.829 53.733 52.037 -0.222 0.000 0.624 310 A CB -0.832 18.064 19.000 -0.173 0.000 0.822 310 A HN 0.546 nan 8.150 nan 0.000 0.444 311 Q N -0.854 118.872 119.800 -0.125 0.000 2.045 311 Q HA -0.190 4.149 4.340 -0.000 0.000 0.206 311 Q C 2.510 178.445 176.000 -0.109 0.000 0.991 311 Q CA 1.908 57.642 55.803 -0.115 0.000 0.851 311 Q CB -0.319 28.361 28.738 -0.095 0.000 0.911 311 Q HN 0.670 nan 8.270 nan 0.000 0.418 312 S N 0.201 115.841 115.700 -0.100 0.000 2.370 312 S HA -0.124 4.346 4.470 -0.000 0.000 0.226 312 S C 1.874 176.417 174.600 -0.096 0.000 1.033 312 S CA 0.920 59.068 58.200 -0.086 0.000 1.011 312 S CB -0.169 62.985 63.200 -0.077 0.000 0.852 312 S HN 0.280 nan 8.310 nan 0.000 0.457 313 L N 0.949 122.100 121.223 -0.120 0.000 2.056 313 L HA -0.068 4.271 4.340 -0.000 0.000 0.207 313 L C 2.398 179.190 176.870 -0.129 0.000 1.078 313 L CA 0.775 55.537 54.840 -0.130 0.000 0.749 313 L CB -0.501 41.458 42.059 -0.167 0.000 0.901 313 L HN 0.336 nan 8.230 nan 0.000 0.433 314 I N 0.182 120.667 120.570 -0.140 0.000 2.208 314 I HA -0.286 3.884 4.170 -0.000 0.000 0.245 314 I C 2.672 178.736 176.117 -0.090 0.000 1.097 314 I CA 1.586 62.806 61.300 -0.132 0.000 1.363 314 I CB -1.018 36.892 38.000 -0.151 0.000 1.051 314 I HN 0.321 nan 8.210 nan 0.000 0.413 315 R N 0.429 120.882 120.500 -0.079 0.000 2.159 315 R HA -0.183 4.157 4.340 -0.000 0.000 0.237 315 R C 1.970 178.243 176.300 -0.045 0.000 1.131 315 R CA 1.098 57.168 56.100 -0.050 0.000 0.982 315 R CB -0.255 30.017 30.300 -0.048 0.000 0.868 315 R HN 0.591 nan 8.270 nan 0.000 0.453 316 Q N 0.133 119.898 119.800 -0.060 0.000 2.424 316 Q HA 0.028 4.368 4.340 -0.000 0.000 0.204 316 Q C 0.125 176.090 176.000 -0.058 0.000 0.933 316 Q CA 0.060 55.830 55.803 -0.055 0.000 0.929 316 Q CB 0.308 29.009 28.738 -0.061 0.000 1.037 316 Q HN 0.163 nan 8.270 nan 0.000 0.511 317 Q N 1.926 121.685 119.800 -0.068 0.000 2.304 317 Q HA -0.002 4.338 4.340 -0.000 0.000 0.301 317 Q C 0.159 176.128 176.000 -0.052 0.000 1.063 317 Q CA 0.392 56.153 55.803 -0.071 0.000 0.947 317 Q CB 0.694 29.381 28.738 -0.085 0.000 1.201 317 Q HN 0.275 nan 8.270 nan 0.000 0.389 318 S N 2.786 118.456 115.700 -0.051 0.000 2.593 318 S HA 0.408 4.878 4.470 -0.000 0.000 0.269 318 S C -2.258 172.322 174.600 -0.034 0.000 1.334 318 S CA -1.258 56.920 58.200 -0.036 0.000 1.015 318 S CB 0.318 63.499 63.200 -0.031 0.000 0.912 318 S HN 0.298 nan 8.310 nan 0.000 0.541 319 P HA 0.196 nan 4.420 nan 0.000 0.266 319 P C -0.781 176.502 177.300 -0.028 0.000 1.193 319 P CA 0.047 63.135 63.100 -0.020 0.000 0.770 319 P CB 0.410 32.106 31.700 -0.008 0.000 0.836 320 S N 0.882 116.553 115.700 -0.049 0.000 2.472 320 S HA 0.461 4.931 4.470 -0.000 0.000 0.303 320 S C -0.385 174.173 174.600 -0.071 0.000 1.099 320 S CA -0.534 57.621 58.200 -0.075 0.000 1.077 320 S CB 1.019 64.135 63.200 -0.140 0.000 1.031 320 S HN 0.284 nan 8.310 nan 0.000 0.487 321 T N 3.981 118.496 114.554 -0.066 0.000 2.801 321 T HA 0.394 4.744 4.350 -0.000 0.000 0.306 321 T C 0.223 174.840 174.700 -0.138 0.000 1.020 321 T CA -0.438 61.609 62.100 -0.089 0.000 0.948 321 T CB -0.024 68.788 68.868 -0.093 0.000 0.962 321 T HN 0.353 nan 8.240 nan 0.000 0.465 322 L N 3.251 124.401 121.223 -0.122 0.000 2.466 322 L HA 0.331 4.671 4.340 -0.000 0.000 0.257 322 L C 1.936 178.746 176.870 -0.100 0.000 1.189 322 L CA -0.669 54.109 54.840 -0.104 0.000 0.813 322 L CB 0.316 42.338 42.059 -0.062 0.000 1.118 322 L HN 0.594 nan 8.230 nan 0.000 0.471 323 L N 0.068 121.261 121.223 -0.051 0.000 2.021 323 L HA -0.184 4.156 4.340 -0.000 0.000 0.215 323 L C 1.114 177.949 176.870 -0.058 0.000 1.074 323 L CA 1.907 56.710 54.840 -0.061 0.000 0.760 323 L CB -0.786 41.274 42.059 0.002 0.000 0.889 323 L HN 0.906 nan 8.230 nan 0.000 0.433 324 T N -7.362 107.187 114.554 -0.008 0.000 2.787 324 T HA 0.351 4.701 4.350 -0.000 0.000 0.297 324 T C -2.447 172.269 174.700 0.027 0.000 1.221 324 T CA -1.426 60.678 62.100 0.008 0.000 1.006 324 T CB 1.722 70.616 68.868 0.044 0.000 1.328 324 T HN -0.363 nan 8.240 nan 0.000 0.509 325 P HA 0.093 nan 4.420 nan 0.000 0.216 325 P C 1.822 179.159 177.300 0.063 0.000 1.153 325 P CA 1.472 64.598 63.100 0.043 0.000 0.844 325 P CB -0.417 31.308 31.700 0.041 0.000 0.787 326 G N -0.017 108.823 108.800 0.068 0.000 2.446 326 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.217 326 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.217 326 G C 1.539 176.498 174.900 0.100 0.000 1.168 326 G CA 0.662 45.808 45.100 0.076 0.000 0.771 326 G HN 0.227 nan 8.290 nan 0.000 0.551 327 I N 0.147 120.783 120.570 0.110 0.000 2.361 327 I HA -0.119 4.051 4.170 -0.000 0.000 0.251 327 I C 2.837 179.066 176.117 0.188 0.000 1.133 327 I CA 0.966 62.364 61.300 0.163 0.000 1.413 327 I CB -0.161 37.947 38.000 0.180 0.000 1.073 327 I HN 0.154 nan 8.210 nan 0.000 0.424 328 R N 1.011 121.589 120.500 0.130 0.000 2.062 328 R HA -0.180 4.160 4.340 -0.000 0.000 0.231 328 R C 1.799 178.200 176.300 0.168 0.000 1.136 328 R CA 1.968 58.146 56.100 0.131 0.000 0.948 328 R CB -0.194 30.148 30.300 0.071 0.000 0.845 328 R HN 0.280 nan 8.270 nan 0.000 0.430 329 D N 0.139 120.611 120.400 0.121 0.000 2.117 329 D HA -0.093 4.547 4.640 -0.000 0.000 0.197 329 D C 1.988 178.357 176.300 0.115 0.000 0.987 329 D CA 1.344 55.405 54.000 0.102 0.000 0.829 329 D CB -0.202 40.641 40.800 0.072 0.000 0.961 329 D HN 0.189 nan 8.370 nan 0.000 0.460 330 S N 0.115 115.896 115.700 0.136 0.000 2.370 330 S HA -0.200 4.270 4.470 -0.000 0.000 0.226 330 S C 1.840 176.535 174.600 0.157 0.000 1.033 330 S CA 0.768 59.050 58.200 0.135 0.000 1.011 330 S CB -0.435 62.857 63.200 0.152 0.000 0.852 330 S HN 0.352 nan 8.310 nan 0.000 0.457 331 Y N 2.258 122.622 120.300 0.107 0.000 2.114 331 Y HA -0.206 4.343 4.550 -0.000 0.000 0.284 331 Y C 2.443 178.400 175.900 0.094 0.000 1.143 331 Y CA 1.758 59.925 58.100 0.112 0.000 1.135 331 Y CB -0.586 37.934 38.460 0.100 0.000 0.980 331 Y HN 0.260 nan 8.280 nan 0.000 0.499 332 Q N -0.324 119.531 119.800 0.091 0.000 2.061 332 Q HA -0.206 4.134 4.340 -0.000 0.000 0.204 332 Q C 2.485 178.448 176.000 -0.061 0.000 0.984 332 Q CA 2.442 58.236 55.803 -0.015 0.000 0.846 332 Q CB -0.376 28.393 28.738 0.052 0.000 0.902 332 Q HN 0.628 nan 8.270 nan 0.000 0.421 333 S N 0.282 115.977 115.700 -0.009 0.000 2.402 333 S HA -0.172 4.298 4.470 -0.000 0.000 0.229 333 S C 1.846 176.443 174.600 -0.005 0.000 1.021 333 S CA 0.938 59.138 58.200 -0.000 0.000 0.974 333 S CB -0.182 63.032 63.200 0.023 0.000 0.800 333 S HN 0.317 nan 8.310 nan 0.000 0.484 334 Q N 0.905 120.691 119.800 -0.024 0.000 2.083 334 Q HA -0.013 4.326 4.340 -0.000 0.000 0.198 334 Q C 2.590 178.569 176.000 -0.036 0.000 0.969 334 Q CA 1.575 57.364 55.803 -0.022 0.000 0.838 334 Q CB -0.531 28.205 28.738 -0.004 0.000 0.900 334 Q HN 0.705 nan 8.270 nan 0.000 0.436 335 V N -2.684 117.174 119.914 -0.093 0.000 2.427 335 V HA -0.133 3.987 4.120 -0.000 0.000 0.248 335 V C 2.095 178.362 176.094 0.288 0.000 1.051 335 V CA 1.208 63.583 62.300 0.125 0.000 1.048 335 V CB -0.821 31.007 31.823 0.008 0.000 0.666 335 V HN 0.088 nan 8.190 nan 0.000 0.456 336 V N 0.688 120.681 119.914 0.132 0.000 2.427 336 V HA -0.201 3.919 4.120 -0.000 0.000 0.248 336 V C 2.927 179.101 176.094 0.134 0.000 1.051 336 V CA 2.385 64.774 62.300 0.148 0.000 1.048 336 V CB -0.470 31.363 31.823 0.016 0.000 0.666 336 V HN 0.693 nan 8.190 nan 0.000 0.456 337 S N -0.405 115.342 115.700 0.078 0.000 2.383 337 S HA -0.209 4.261 4.470 -0.000 0.000 0.227 337 S C 2.212 176.848 174.600 0.059 0.000 1.026 337 S CA 1.694 59.932 58.200 0.063 0.000 0.981 337 S CB -0.233 62.992 63.200 0.042 0.000 0.818 337 S HN 0.564 nan 8.310 nan 0.000 0.472 338 R N 0.012 120.517 120.500 0.008 0.000 2.090 338 R HA 0.034 4.374 4.340 -0.000 0.000 0.228 338 R C 2.309 178.566 176.300 -0.071 0.000 1.110 338 R CA 1.237 57.260 56.100 -0.129 0.000 0.973 338 R CB -0.854 29.143 30.300 -0.505 0.000 0.869 338 R HN 0.471 nan 8.270 nan 0.000 0.440 339 G N -0.784 108.125 108.800 0.181 0.000 2.535 339 G HA2 -0.156 3.803 3.960 -0.000 0.000 0.218 339 G HA3 -0.156 3.803 3.960 -0.000 0.000 0.218 339 G C 1.074 176.061 174.900 0.144 0.000 1.122 339 G CA 0.548 45.814 45.100 0.276 0.000 0.769 339 G HN 0.286 nan 8.290 nan 0.000 0.549 340 S N -0.145 115.627 115.700 0.120 0.000 2.562 340 S HA 0.043 4.513 4.470 -0.000 0.000 0.221 340 S C 0.796 175.458 174.600 0.102 0.000 0.975 340 S CA -0.275 57.987 58.200 0.103 0.000 0.918 340 S CB 0.037 63.293 63.200 0.093 0.000 0.772 340 S HN 0.492 nan 8.310 nan 0.000 0.531 341 D N 1.469 121.937 120.400 0.114 0.000 2.341 341 D HA 0.033 4.673 4.640 -0.000 0.000 0.245 341 D C 0.361 176.742 176.300 0.136 0.000 1.106 341 D CA -0.101 53.990 54.000 0.152 0.000 0.905 341 D CB 0.865 41.805 40.800 0.232 0.000 1.202 341 D HN -0.011 nan 8.370 nan 0.000 0.426 342 D N 2.483 122.968 120.400 0.141 0.000 2.117 342 D HA -0.100 4.540 4.640 -0.000 0.000 0.197 342 D C 1.487 177.871 176.300 0.140 0.000 0.987 342 D CA 0.819 54.891 54.000 0.120 0.000 0.829 342 D CB -0.067 40.799 40.800 0.110 0.000 0.961 342 D HN 0.616 nan 8.370 nan 0.000 0.460 343 G N 0.485 109.410 108.800 0.209 0.000 3.094 343 G HA2 0.133 4.093 3.960 -0.000 0.000 0.208 343 G HA3 0.133 4.093 3.960 -0.000 0.000 0.208 343 G C 0.496 175.558 174.900 0.269 0.000 1.189 343 G CA -0.087 45.176 45.100 0.272 0.000 0.856 343 G HN 0.227 nan 8.290 nan 0.000 0.510 344 I N -0.398 120.237 120.570 0.107 0.000 2.571 344 I HA 0.300 4.469 4.170 -0.000 0.000 0.289 344 I C -1.822 174.287 176.117 -0.015 0.000 1.115 344 I CA -1.045 60.215 61.300 -0.067 0.000 1.045 344 I CB 2.505 40.260 38.000 -0.409 0.000 1.238 344 I HN -0.051 nan 8.210 nan 0.000 0.424 345 D N 5.750 126.135 120.400 -0.025 0.000 2.177 345 D HA 0.528 5.168 4.640 -0.000 0.000 0.247 345 D C -1.430 174.800 176.300 -0.116 0.000 1.063 345 D CA -0.114 53.857 54.000 -0.049 0.000 0.867 345 D CB 2.032 42.803 40.800 -0.048 0.000 1.168 345 D HN 0.259 nan 8.370 nan 0.000 0.445 346 V N 2.950 122.723 119.914 -0.234 0.000 2.709 346 V HA 0.603 4.722 4.120 -0.000 0.000 0.308 346 V C -1.041 174.677 176.094 -0.627 0.000 1.062 346 V CA -0.299 61.647 62.300 -0.590 0.000 0.901 346 V CB 2.174 33.501 31.823 -0.827 0.000 1.003 346 V HN 0.712 nan 8.190 nan 0.000 0.425 347 T N 7.534 121.670 114.554 -0.698 0.000 2.786 347 T HA 0.660 5.010 4.350 -0.000 0.000 0.283 347 T C -0.989 173.388 174.700 -0.538 0.000 0.992 347 T CA 0.037 61.858 62.100 -0.465 0.000 0.954 347 T CB 0.763 69.465 68.868 -0.277 0.000 0.934 347 T HN 0.426 nan 8.240 nan 0.000 0.440 348 F N 1.730 121.580 119.950 -0.166 0.000 2.523 348 F HA 0.633 5.160 4.527 -0.000 0.000 0.329 348 F C 1.120 176.861 175.800 -0.097 0.000 1.061 348 F CA -0.995 56.923 58.000 -0.136 0.000 0.967 348 F CB 1.546 40.484 39.000 -0.103 0.000 1.218 348 F HN 0.556 nan 8.300 nan 0.000 0.480 349 S N 0.373 116.165 115.700 0.153 0.000 2.730 349 S HA 0.390 4.859 4.470 -0.000 0.000 0.284 349 S C -0.587 174.040 174.600 0.045 0.000 1.153 349 S CA -0.905 57.325 58.200 0.051 0.000 0.995 349 S CB 1.296 64.503 63.200 0.012 0.000 1.058 349 S HN 0.688 nan 8.310 nan 0.000 0.552 350 Q N 0.353 120.159 119.800 0.010 0.000 2.296 350 Q HA 0.572 4.911 4.340 -0.000 0.000 0.257 350 Q C -0.980 175.012 176.000 -0.013 0.000 0.942 350 Q CA -0.561 55.239 55.803 -0.005 0.000 0.939 350 Q CB 0.749 29.482 28.738 -0.008 0.000 1.198 350 Q HN 0.923 nan 8.270 nan 0.000 0.429 351 A N 4.116 126.921 122.820 -0.025 0.000 2.566 351 A HA 0.498 4.817 4.320 -0.000 0.000 0.297 351 A C -1.571 175.995 177.584 -0.030 0.000 1.059 351 A CA -0.843 51.180 52.037 -0.023 0.000 0.691 351 A CB 1.722 20.712 19.000 -0.015 0.000 1.282 351 A HN 0.682 nan 8.150 nan 0.000 0.401 352 E N 0.950 121.139 120.200 -0.018 0.000 2.183 352 E HA 0.436 4.786 4.350 -0.000 0.000 0.271 352 E C -0.102 176.494 176.600 -0.007 0.000 0.919 352 E CA -0.415 55.975 56.400 -0.017 0.000 0.781 352 E CB 1.996 31.689 29.700 -0.011 0.000 1.140 352 E HN 0.578 nan 8.360 nan 0.000 0.402 353 S N 3.001 118.696 115.700 -0.008 0.000 2.563 353 S HA 0.039 4.509 4.470 -0.000 0.000 0.284 353 S C -1.006 173.600 174.600 0.009 0.000 1.331 353 S CA -0.867 57.335 58.200 0.004 0.000 1.047 353 S CB 0.357 63.558 63.200 0.003 0.000 0.859 353 S HN 0.353 nan 8.310 nan 0.000 0.514 354 P HA 0.076 nan 4.420 nan 0.000 0.230 354 P C 0.216 177.526 177.300 0.015 0.000 1.158 354 P CA 0.126 63.237 63.100 0.019 0.000 0.769 354 P CB -0.361 31.352 31.700 0.022 0.000 0.807 355 C N 1.180 120.488 119.300 0.012 0.000 2.727 355 C HA 0.283 4.743 4.460 -0.000 0.000 0.401 355 C C 1.143 176.136 174.990 0.006 0.000 1.294 355 C CA -0.566 58.454 59.018 0.003 0.000 2.134 355 C CB 0.407 28.150 27.740 0.005 0.000 2.724 355 C HN 0.224 nan 8.230 nan 0.000 0.677 356 V N 0.199 120.111 119.914 -0.004 0.000 2.960 356 V HA 0.935 5.055 4.120 -0.000 0.000 0.315 356 V C -0.027 176.089 176.094 0.036 0.000 1.087 356 V CA -0.700 61.626 62.300 0.043 0.000 0.982 356 V CB 1.451 33.314 31.823 0.068 0.000 1.039 356 V HN 1.149 nan 8.190 nan 0.000 0.437 357 A N 2.251 125.134 122.820 0.104 0.000 2.304 357 A HA 0.776 5.096 4.320 -0.000 0.000 0.301 357 A C 0.435 178.143 177.584 0.206 0.000 1.132 357 A CA -0.380 51.716 52.037 0.099 0.000 0.819 357 A CB 0.639 19.664 19.000 0.042 0.000 1.094 357 A HN 1.074 nan 8.150 nan 0.000 0.492 358 S N -0.163 115.602 115.700 0.109 0.000 2.603 358 S HA 0.633 5.102 4.470 -0.000 0.000 0.268 358 S C 0.220 174.899 174.600 0.130 0.000 1.317 358 S CA 0.239 58.490 58.200 0.084 0.000 1.012 358 S CB 1.180 64.356 63.200 -0.040 0.000 0.926 358 S HN 1.444 nan 8.310 nan 0.000 0.539 359 A N 1.254 124.101 122.820 0.044 0.000 2.515 359 A HA 0.757 5.077 4.320 -0.000 0.000 0.298 359 A C -1.744 175.629 177.584 -0.352 0.000 1.059 359 A CA -0.594 51.307 52.037 -0.227 0.000 0.698 359 A CB 1.232 20.046 19.000 -0.311 0.000 1.289 359 A HN 0.622 nan 8.150 nan 0.000 0.404 360 L N 1.774 122.674 121.223 -0.539 0.000 2.406 360 L HA 0.772 5.112 4.340 -0.000 0.000 0.270 360 L C -1.790 174.786 176.870 -0.491 0.000 0.982 360 L CA -0.339 54.293 54.840 -0.348 0.000 0.843 360 L CB 0.555 42.500 42.059 -0.191 0.000 1.225 360 L HN 0.552 nan 8.230 nan 0.000 0.412 361 F N 4.123 123.962 119.950 -0.185 0.000 2.379 361 F HA 0.719 5.246 4.527 -0.000 0.000 0.332 361 F C 0.208 175.887 175.800 -0.200 0.000 1.096 361 F CA -0.487 57.364 58.000 -0.248 0.000 1.105 361 F CB 1.770 40.580 39.000 -0.317 0.000 1.189 361 F HN 0.124 nan 8.300 nan 0.000 0.515 362 V N 1.450 121.355 119.914 -0.016 0.000 2.686 362 V HA 0.678 4.798 4.120 -0.000 0.000 0.306 362 V C -0.352 175.715 176.094 -0.044 0.000 1.065 362 V CA -0.471 61.803 62.300 -0.043 0.000 0.894 362 V CB 2.041 33.840 31.823 -0.039 0.000 1.004 362 V HN 0.897 nan 8.190 nan 0.000 0.424 363 T N 2.077 116.618 114.554 -0.022 0.000 2.762 363 T HA 0.593 4.943 4.350 -0.000 0.000 0.301 363 T C -0.556 174.210 174.700 0.111 0.000 1.299 363 T CA 0.170 62.311 62.100 0.068 0.000 1.005 363 T CB 2.026 70.971 68.868 0.129 0.000 1.377 363 T HN 1.014 nan 8.240 nan 0.000 0.504 364 S N 0.563 116.374 115.700 0.186 0.000 2.687 364 S HA 0.434 4.904 4.470 -0.000 0.000 0.283 364 S C 1.641 176.392 174.600 0.253 0.000 1.170 364 S CA 0.193 58.493 58.200 0.167 0.000 1.008 364 S CB 1.239 64.527 63.200 0.147 0.000 1.026 364 S HN 1.051 nan 8.310 nan 0.000 0.541 365 S N -0.025 115.800 115.700 0.208 0.000 2.419 365 S HA -0.185 4.285 4.470 -0.000 0.000 0.233 365 S C 1.554 176.343 174.600 0.316 0.000 1.016 365 S CA 1.125 59.495 58.200 0.284 0.000 0.974 365 S CB -0.786 62.531 63.200 0.195 0.000 0.786 365 S HN 0.860 nan 8.310 nan 0.000 0.492 366 E N 1.987 122.319 120.200 0.220 0.000 2.031 366 E HA -0.203 4.147 4.350 -0.000 0.000 0.193 366 E C 1.866 178.577 176.600 0.186 0.000 0.994 366 E CA 1.465 57.967 56.400 0.169 0.000 0.800 366 E CB -0.375 29.398 29.700 0.121 0.000 0.752 366 E HN 0.759 nan 8.360 nan 0.000 0.447 367 N N 0.056 118.910 118.700 0.257 0.000 2.244 367 N HA -0.154 4.586 4.740 -0.000 0.000 0.183 367 N C 1.568 177.250 175.510 0.288 0.000 1.016 367 N CA 0.830 54.054 53.050 0.290 0.000 0.866 367 N CB -0.243 38.507 38.487 0.437 0.000 0.980 367 N HN 0.406 nan 8.380 nan 0.000 0.430 368 W N 2.580 124.042 121.300 0.271 0.000 2.363 368 W HA -0.094 4.566 4.660 -0.000 0.000 0.296 368 W C 1.371 177.950 176.519 0.100 0.000 1.212 368 W CA 1.083 58.603 57.345 0.293 0.000 1.260 368 W CB -0.132 29.529 29.460 0.336 0.000 1.131 368 W HN 0.044 nan 8.180 nan 0.000 0.530 369 R N 0.395 120.965 120.500 0.116 0.000 2.189 369 R HA -0.102 4.238 4.340 -0.000 0.000 0.223 369 R C 2.154 178.326 176.300 -0.213 0.000 1.092 369 R CA 1.177 57.241 56.100 -0.061 0.000 0.989 369 R CB -0.187 30.147 30.300 0.057 0.000 0.876 369 R HN 0.177 nan 8.270 nan 0.000 0.457 370 K N -0.465 119.781 120.400 -0.257 0.000 2.305 370 K HA -0.017 4.303 4.320 -0.000 0.000 0.199 370 K C -0.172 175.932 176.600 -0.827 0.000 1.047 370 K CA 0.693 56.691 56.287 -0.482 0.000 0.976 370 K CB 0.273 32.472 32.500 -0.501 0.000 0.765 370 K HN 0.256 nan 8.250 nan 0.000 0.474 371 H N 0.256 118.878 119.070 -0.747 0.000 2.530 371 H HA 0.117 4.673 4.556 -0.000 0.000 0.246 371 H C -1.978 172.893 175.328 -0.761 0.000 1.346 371 H CA -2.004 53.483 56.048 -0.934 0.000 1.424 371 H CB 0.917 29.517 29.762 -1.936 0.000 1.445 371 H HN -0.020 nan 8.280 nan 0.000 0.511 372 P HA -0.174 nan 4.420 nan 0.000 0.222 372 P C 1.266 178.418 177.300 -0.248 0.000 1.147 372 P CA 1.051 63.930 63.100 -0.369 0.000 0.790 372 P CB 0.397 31.951 31.700 -0.243 0.000 0.780 373 A N -0.850 121.862 122.820 -0.180 0.000 2.015 373 A HA -0.110 4.210 4.320 -0.000 0.000 0.219 373 A C 1.902 179.540 177.584 0.090 0.000 1.163 373 A CA 0.690 52.706 52.037 -0.036 0.000 0.646 373 A CB -1.627 17.372 19.000 -0.002 0.000 0.806 373 A HN 0.135 nan 8.150 nan 0.000 0.448 374 W N 0.467 121.671 121.300 -0.161 0.000 2.468 374 W HA -0.044 4.616 4.660 -0.000 0.000 0.262 374 W C 1.932 178.431 176.519 -0.035 0.000 1.241 374 W CA 0.825 58.097 57.345 -0.122 0.000 1.232 374 W CB -0.583 28.817 29.460 -0.101 0.000 1.124 374 W HN 0.651 nan 8.180 nan 0.000 0.597 375 E N 0.458 120.685 120.200 0.045 0.000 2.427 375 E HA -0.079 4.271 4.350 -0.000 0.000 0.196 375 E C 0.183 176.899 176.600 0.195 0.000 1.028 375 E CA 0.257 56.773 56.400 0.192 0.000 0.864 375 E CB 0.111 29.850 29.700 0.065 0.000 0.813 375 E HN 0.187 nan 8.360 nan 0.000 0.514 376 E N 1.704 121.985 120.200 0.136 0.000 2.373 376 E HA -0.008 4.341 4.350 -0.000 0.000 0.267 376 E C -0.266 176.418 176.600 0.140 0.000 1.032 376 E CA -0.105 56.367 56.400 0.119 0.000 0.889 376 E CB 0.891 30.645 29.700 0.090 0.000 0.984 376 E HN 0.212 nan 8.360 nan 0.000 0.425 377 E N 3.306 123.592 120.200 0.144 0.000 2.338 377 E HA 0.102 4.452 4.350 -0.000 0.000 0.272 377 E C -0.821 175.891 176.600 0.186 0.000 1.029 377 E CA -0.195 56.309 56.400 0.174 0.000 0.872 377 E CB 0.571 30.386 29.700 0.191 0.000 1.015 377 E HN 0.408 nan 8.360 nan 0.000 0.417 378 I N 5.675 126.368 120.570 0.204 0.000 2.405 378 I HA 0.145 4.315 4.170 -0.000 0.000 0.280 378 I C -0.555 175.763 176.117 0.336 0.000 1.027 378 I CA -0.873 60.568 61.300 0.235 0.000 1.161 378 I CB 0.662 38.758 38.000 0.160 0.000 1.300 378 I HN 0.577 nan 8.210 nan 0.000 0.463 379 F N 6.581 126.660 119.950 0.214 0.000 2.506 379 F HA 0.509 5.036 4.527 -0.000 0.000 0.369 379 F C 0.818 176.756 175.800 0.230 0.000 1.114 379 F CA 0.673 58.789 58.000 0.194 0.000 1.121 379 F CB -0.059 39.025 39.000 0.141 0.000 1.104 379 F HN 0.541 nan 8.300 nan 0.000 0.564 380 G N 5.851 114.491 108.800 -0.266 0.000 2.341 380 G HA2 0.120 4.080 3.960 -0.000 0.000 0.293 380 G HA3 0.120 4.080 3.960 -0.000 0.000 0.293 380 G C -3.148 171.591 174.900 -0.268 0.000 1.298 380 G CA -0.934 43.904 45.100 -0.437 0.000 0.868 380 G HN 0.237 nan 8.290 nan 0.000 0.540 381 P HA 0.203 nan 4.420 nan 0.000 0.232 381 P C -0.543 176.778 177.300 0.035 0.000 1.738 381 P CA 0.462 63.457 63.100 -0.174 0.000 0.948 381 P CB -0.079 31.487 31.700 -0.224 0.000 1.943 382 Q N -0.843 119.047 119.800 0.149 0.000 2.421 382 Q HA 0.782 5.121 4.340 -0.000 0.000 0.280 382 Q C -1.157 174.937 176.000 0.156 0.000 1.085 382 Q CA -1.020 54.905 55.803 0.202 0.000 0.807 382 Q CB 1.695 30.678 28.738 0.408 0.000 1.405 382 Q HN -0.066 nan 8.270 nan 0.000 0.419 383 S N 0.790 116.588 115.700 0.163 0.000 2.596 383 S HA 0.779 5.249 4.470 -0.000 0.000 0.270 383 S C -2.210 172.531 174.600 0.236 0.000 1.155 383 S CA -0.750 57.570 58.200 0.200 0.000 0.827 383 S CB 1.246 64.585 63.200 0.232 0.000 1.130 383 S HN 0.886 nan 8.310 nan 0.000 0.467 384 L N 3.069 124.382 121.223 0.149 0.000 2.386 384 L HA 0.761 5.101 4.340 -0.000 0.000 0.271 384 L C -1.599 175.201 176.870 -0.116 0.000 0.993 384 L CA -0.374 54.491 54.840 0.042 0.000 0.819 384 L CB 1.501 43.529 42.059 -0.051 0.000 1.294 384 L HN 0.726 nan 8.230 nan 0.000 0.414 385 I N 5.181 125.676 120.570 -0.124 0.000 2.378 385 I HA 0.436 4.605 4.170 -0.000 0.000 0.291 385 I C -0.877 175.088 176.117 -0.254 0.000 0.992 385 I CA -0.916 60.248 61.300 -0.226 0.000 1.154 385 I CB 1.931 39.864 38.000 -0.112 0.000 1.315 385 I HN 0.284 nan 8.210 nan 0.000 0.448 386 V N 7.347 127.018 119.914 -0.405 0.000 2.313 386 V HA 0.235 4.354 4.120 -0.000 0.000 0.278 386 V C 0.104 176.105 176.094 -0.156 0.000 1.017 386 V CA -0.698 61.426 62.300 -0.293 0.000 0.823 386 V CB 1.588 33.079 31.823 -0.555 0.000 1.010 386 V HN 0.388 nan 8.190 nan 0.000 0.443 387 V N 4.683 124.560 119.914 -0.060 0.000 2.427 387 V HA 0.190 4.309 4.120 -0.000 0.000 0.268 387 V C 0.387 176.488 176.094 0.013 0.000 1.046 387 V CA -0.176 62.104 62.300 -0.034 0.000 0.970 387 V CB 0.728 32.542 31.823 -0.014 0.000 1.001 387 V HN 0.957 nan 8.190 nan 0.000 0.476 388 C N 3.729 123.032 119.300 0.004 0.000 2.365 388 C HA 0.267 4.727 4.460 -0.000 0.000 0.349 388 C C 1.979 176.978 174.990 0.015 0.000 1.191 388 C CA -0.483 58.551 59.018 0.027 0.000 2.114 388 C CB 1.134 28.887 27.740 0.021 0.000 2.367 388 C HN 1.038 nan 8.230 nan 0.000 0.530 389 E N 1.639 121.857 120.200 0.030 0.000 2.077 389 E HA -0.171 4.179 4.350 -0.000 0.000 0.193 389 E C 0.451 177.060 176.600 0.015 0.000 0.989 389 E CA 1.737 58.152 56.400 0.025 0.000 0.800 389 E CB 0.179 29.899 29.700 0.034 0.000 0.746 389 E HN 0.910 nan 8.360 nan 0.000 0.452 390 N N -3.426 115.280 118.700 0.010 0.000 3.339 390 N HA 0.003 4.743 4.740 -0.000 0.000 0.275 390 N C 0.183 175.691 175.510 -0.003 0.000 1.514 390 N CA -0.125 52.929 53.050 0.007 0.000 0.879 390 N CB 0.876 39.375 38.487 0.020 0.000 1.557 390 N HN -0.187 nan 8.380 nan 0.000 0.524 391 V N -0.180 119.741 119.914 0.012 0.000 2.407 391 V HA -0.161 3.959 4.120 -0.000 0.000 0.248 391 V C 2.417 178.521 176.094 0.015 0.000 1.055 391 V CA 2.600 64.910 62.300 0.016 0.000 1.049 391 V CB -1.427 30.462 31.823 0.110 0.000 0.662 391 V HN 0.847 nan 8.190 nan 0.000 0.455 392 A N 0.064 122.897 122.820 0.023 0.000 1.933 392 A HA -0.298 4.022 4.320 -0.000 0.000 0.218 392 A C 2.078 179.667 177.584 0.008 0.000 1.175 392 A CA 2.121 54.168 52.037 0.016 0.000 0.628 392 A CB -0.642 18.370 19.000 0.019 0.000 0.814 392 A HN 0.589 nan 8.150 nan 0.000 0.444 393 D N -0.771 119.636 120.400 0.011 0.000 2.117 393 D HA -0.178 4.462 4.640 -0.000 0.000 0.198 393 D C 1.911 178.211 176.300 -0.000 0.000 0.982 393 D CA 1.655 55.666 54.000 0.018 0.000 0.828 393 D CB -0.288 40.529 40.800 0.030 0.000 0.967 393 D HN 0.439 nan 8.370 nan 0.000 0.464 394 M N -0.432 119.157 119.600 -0.018 0.000 2.086 394 M HA -0.124 4.355 4.480 -0.000 0.000 0.261 394 M C 2.033 178.299 176.300 -0.056 0.000 1.067 394 M CA 1.272 56.550 55.300 -0.037 0.000 1.116 394 M CB -0.039 32.535 32.600 -0.043 0.000 1.348 394 M HN 0.074 nan 8.290 nan 0.000 0.407 395 L N -0.991 120.198 121.223 -0.057 0.000 2.083 395 L HA -0.192 4.148 4.340 -0.000 0.000 0.209 395 L C 2.689 179.525 176.870 -0.057 0.000 1.083 395 L CA 1.390 56.182 54.840 -0.081 0.000 0.752 395 L CB -0.865 41.166 42.059 -0.047 0.000 0.899 395 L HN 0.423 nan 8.230 nan 0.000 0.433 396 S N 0.312 115.997 115.700 -0.025 0.000 2.370 396 S HA -0.157 4.313 4.470 -0.000 0.000 0.226 396 S C 2.009 176.613 174.600 0.007 0.000 1.033 396 S CA 1.183 59.382 58.200 -0.001 0.000 1.011 396 S CB -0.192 63.018 63.200 0.018 0.000 0.852 396 S HN 0.327 nan 8.310 nan 0.000 0.457 397 L N 1.691 122.904 121.223 -0.016 0.000 2.083 397 L HA -0.069 4.271 4.340 -0.000 0.000 0.209 397 L C 2.851 179.701 176.870 -0.032 0.000 1.083 397 L CA 1.457 56.286 54.840 -0.019 0.000 0.752 397 L CB -0.778 41.148 42.059 -0.222 0.000 0.899 397 L HN 0.520 nan 8.230 nan 0.000 0.433 398 S N -1.057 114.606 115.700 -0.061 0.000 2.447 398 S HA -0.131 4.339 4.470 -0.000 0.000 0.233 398 S C 1.659 176.270 174.600 0.019 0.000 1.006 398 S CA 0.649 58.848 58.200 -0.003 0.000 0.957 398 S CB -0.245 62.856 63.200 -0.165 0.000 0.773 398 S HN 0.393 nan 8.310 nan 0.000 0.507 399 E N 1.014 121.219 120.200 0.008 0.000 2.338 399 E HA 0.089 4.439 4.350 -0.000 0.000 0.197 399 E C 1.389 178.018 176.600 0.048 0.000 1.007 399 E CA 0.772 57.184 56.400 0.019 0.000 0.849 399 E CB -0.225 29.481 29.700 0.009 0.000 0.774 399 E HN 0.683 nan 8.360 nan 0.000 0.506 400 M N 0.215 119.863 119.600 0.080 0.000 2.333 400 M HA 0.172 4.651 4.480 -0.000 0.000 0.257 400 M C 0.284 176.670 176.300 0.144 0.000 1.078 400 M CA -0.140 55.219 55.300 0.100 0.000 1.005 400 M CB 0.636 33.299 32.600 0.105 0.000 1.444 400 M HN -0.124 nan 8.290 nan 0.000 0.496 401 L N 0.927 122.252 121.223 0.170 0.000 2.461 401 L HA 0.276 4.616 4.340 -0.000 0.000 0.272 401 L C 0.791 177.760 176.870 0.166 0.000 1.197 401 L CA -0.643 54.330 54.840 0.221 0.000 0.836 401 L CB 0.394 42.599 42.059 0.243 0.000 1.105 401 L HN 0.151 nan 8.230 nan 0.000 0.477 402 A N 2.072 124.997 122.820 0.175 0.000 2.259 402 A HA 0.594 4.914 4.320 -0.000 0.000 0.278 402 A C 0.530 178.191 177.584 0.127 0.000 1.107 402 A CA 0.021 52.139 52.037 0.135 0.000 0.828 402 A CB 0.199 19.275 19.000 0.126 0.000 1.111 402 A HN 0.776 nan 8.150 nan 0.000 0.498 403 G N -0.543 108.319 108.800 0.104 0.000 2.484 403 G HA2 0.437 4.397 3.960 -0.000 0.000 0.235 403 G HA3 0.437 4.397 3.960 -0.000 0.000 0.235 403 G C 0.081 175.027 174.900 0.078 0.000 1.282 403 G CA 0.841 45.992 45.100 0.085 0.000 0.857 403 G HN 1.158 nan 8.290 nan 0.000 0.571 404 S N 0.613 116.361 115.700 0.079 0.000 2.579 404 S HA 0.360 4.830 4.470 -0.000 0.000 0.272 404 S C 1.143 175.779 174.600 0.059 0.000 1.141 404 S CA -0.829 57.420 58.200 0.083 0.000 0.843 404 S CB 1.270 64.548 63.200 0.129 0.000 1.122 404 S HN 0.420 nan 8.310 nan 0.000 0.468 405 L N 1.757 123.005 121.223 0.042 0.000 2.027 405 L HA 0.098 4.438 4.340 -0.000 0.000 0.206 405 L C 1.382 178.285 176.870 0.055 0.000 1.074 405 L CA 1.449 56.286 54.840 -0.005 0.000 0.745 405 L CB -0.427 41.596 42.059 -0.060 0.000 0.898 405 L HN 0.874 nan 8.230 nan 0.000 0.433 406 T N -3.318 111.297 114.554 0.102 0.000 2.864 406 T HA 0.790 5.140 4.350 -0.000 0.000 0.289 406 T C -0.881 173.908 174.700 0.148 0.000 1.082 406 T CA -0.438 61.738 62.100 0.126 0.000 1.009 406 T CB 2.572 71.530 68.868 0.151 0.000 1.234 406 T HN 0.061 nan 8.240 nan 0.000 0.526 407 A N 1.015 123.926 122.820 0.151 0.000 2.465 407 A HA 0.693 5.013 4.320 -0.000 0.000 0.292 407 A C -0.363 177.317 177.584 0.161 0.000 1.041 407 A CA -0.767 51.387 52.037 0.195 0.000 0.718 407 A CB 1.394 20.508 19.000 0.191 0.000 1.266 407 A HN 0.904 nan 8.150 nan 0.000 0.403 408 T N 2.303 116.961 114.554 0.173 0.000 2.885 408 T HA 0.735 5.085 4.350 -0.000 0.000 0.285 408 T C -0.406 174.334 174.700 0.068 0.000 1.019 408 T CA -0.223 61.900 62.100 0.039 0.000 1.010 408 T CB 1.038 69.868 68.868 -0.063 0.000 1.022 408 T HN 0.485 nan 8.240 nan 0.000 0.466 409 I N 2.209 122.699 120.570 -0.134 0.000 2.533 409 I HA 0.319 4.489 4.170 -0.000 0.000 0.290 409 I C -0.731 175.058 176.117 -0.545 0.000 1.056 409 I CA -0.849 60.396 61.300 -0.092 0.000 1.057 409 I CB 1.854 39.909 38.000 0.092 0.000 1.240 409 I HN 0.514 nan 8.210 nan 0.000 0.423 410 H N 5.222 124.185 119.070 -0.178 0.000 2.638 410 H HA 0.791 5.347 4.556 -0.000 0.000 0.317 410 H C -0.735 174.541 175.328 -0.087 0.000 1.006 410 H CA -0.351 55.526 56.048 -0.285 0.000 1.222 410 H CB 1.895 31.516 29.762 -0.236 0.000 1.419 410 H HN 0.785 nan 8.280 nan 0.000 0.489 411 A N 2.457 125.181 122.820 -0.159 0.000 2.581 411 A HA 0.635 4.955 4.320 -0.000 0.000 0.290 411 A C -0.269 177.351 177.584 0.060 0.000 1.119 411 A CA -0.503 51.529 52.037 -0.009 0.000 0.670 411 A CB 1.494 20.428 19.000 -0.110 0.000 1.280 411 A HN 0.571 nan 8.150 nan 0.000 0.425 412 T N -2.489 112.105 114.554 0.067 0.000 2.883 412 T HA 0.559 4.909 4.350 -0.000 0.000 0.284 412 T C 0.633 175.214 174.700 -0.199 0.000 1.041 412 T CA 0.102 62.220 62.100 0.030 0.000 1.007 412 T CB 1.203 70.055 68.868 -0.027 0.000 1.220 412 T HN 0.588 nan 8.240 nan 0.000 0.552 413 E N 0.542 120.409 120.200 -0.555 0.000 2.147 413 E HA -0.260 4.090 4.350 -0.000 0.000 0.199 413 E C 1.909 178.100 176.600 -0.681 0.000 1.005 413 E CA 1.875 57.544 56.400 -1.218 0.000 0.810 413 E CB -0.138 29.126 29.700 -0.727 0.000 0.736 413 E HN 0.908 nan 8.360 nan 0.000 0.460 414 E N 0.818 120.826 120.200 -0.321 0.000 2.401 414 E HA -0.196 4.153 4.350 -0.000 0.000 0.199 414 E C 0.920 177.440 176.600 -0.132 0.000 1.023 414 E CA 1.124 57.419 56.400 -0.176 0.000 0.859 414 E CB 0.086 29.727 29.700 -0.099 0.000 0.780 414 E HN 0.198 nan 8.360 nan 0.000 0.523 415 D N -0.311 119.993 120.400 -0.160 0.000 2.367 415 D HA -0.043 4.597 4.640 -0.000 0.000 0.207 415 D C 1.032 177.272 176.300 -0.101 0.000 1.034 415 D CA 0.061 53.912 54.000 -0.247 0.000 0.861 415 D CB -0.094 40.303 40.800 -0.671 0.000 0.943 415 D HN 0.199 nan 8.370 nan 0.000 0.515 416 Y N 1.092 121.278 120.300 -0.190 0.000 2.173 416 Y HA -0.168 4.382 4.550 -0.000 0.000 0.282 416 Y C -0.426 175.398 175.900 -0.127 0.000 1.192 416 Y CA 0.711 58.724 58.100 -0.145 0.000 1.176 416 Y CB -2.028 36.370 38.460 -0.103 0.000 0.969 416 Y HN 0.180 nan 8.280 nan 0.000 0.519 417 P HA -0.142 nan 4.420 nan 0.000 0.216 417 P C 1.409 178.708 177.300 -0.002 0.000 1.153 417 P CA 1.887 64.997 63.100 0.017 0.000 0.848 417 P CB 0.042 31.750 31.700 0.013 0.000 0.787 418 Q N -1.098 118.697 119.800 -0.009 0.000 2.137 418 Q HA -0.038 4.302 4.340 -0.000 0.000 0.198 418 Q C 2.109 178.117 176.000 0.013 0.000 0.960 418 Q CA 0.896 56.721 55.803 0.037 0.000 0.847 418 Q CB -1.386 27.449 28.738 0.162 0.000 0.915 418 Q HN 0.051 nan 8.270 nan 0.000 0.448 419 V N 0.188 120.049 119.914 -0.088 0.000 2.392 419 V HA -0.276 3.844 4.120 -0.000 0.000 0.249 419 V C 2.025 178.066 176.094 -0.089 0.000 1.059 419 V CA 1.953 64.204 62.300 -0.081 0.000 1.051 419 V CB -0.677 31.070 31.823 -0.127 0.000 0.658 419 V HN 0.321 nan 8.190 nan 0.000 0.455 420 S N -1.010 114.633 115.700 -0.095 0.000 2.400 420 S HA -0.266 4.204 4.470 -0.000 0.000 0.232 420 S C 1.991 176.547 174.600 -0.072 0.000 1.025 420 S CA 1.501 59.642 58.200 -0.097 0.000 0.993 420 S CB -0.241 62.915 63.200 -0.074 0.000 0.808 420 S HN 0.656 nan 8.310 nan 0.000 0.478 421 Q N -0.319 119.451 119.800 -0.050 0.000 2.163 421 Q HA 0.064 4.403 4.340 -0.000 0.000 0.198 421 Q C 2.166 178.123 176.000 -0.070 0.000 0.954 421 Q CA 0.610 56.385 55.803 -0.047 0.000 0.851 421 Q CB -0.167 28.555 28.738 -0.027 0.000 0.928 421 Q HN 0.365 nan 8.270 nan 0.000 0.459 422 L N 0.947 122.119 121.223 -0.085 0.000 2.056 422 L HA -0.143 4.196 4.340 -0.000 0.000 0.207 422 L C 1.943 178.722 176.870 -0.152 0.000 1.078 422 L CA 1.458 56.203 54.840 -0.159 0.000 0.749 422 L CB -0.376 41.568 42.059 -0.191 0.000 0.901 422 L HN 0.182 nan 8.230 nan 0.000 0.433 423 I N 0.003 120.506 120.570 -0.111 0.000 2.151 423 I HA -0.268 3.902 4.170 -0.000 0.000 0.243 423 I C -0.327 175.745 176.117 -0.074 0.000 1.080 423 I CA 1.532 62.777 61.300 -0.092 0.000 1.339 423 I CB -1.575 36.363 38.000 -0.103 0.000 1.039 423 I HN 0.258 nan 8.210 nan 0.000 0.409 424 P HA -0.120 nan 4.420 nan 0.000 0.220 424 P C 1.369 178.642 177.300 -0.045 0.000 1.148 424 P CA 1.389 64.458 63.100 -0.051 0.000 0.803 424 P CB -0.033 31.638 31.700 -0.048 0.000 0.782 425 R N -0.859 119.603 120.500 -0.062 0.000 2.075 425 R HA 0.070 4.410 4.340 -0.000 0.000 0.226 425 R C 2.220 178.497 176.300 -0.038 0.000 1.114 425 R CA 0.964 57.031 56.100 -0.055 0.000 0.972 425 R CB -0.866 29.381 30.300 -0.088 0.000 0.869 425 R HN 0.221 nan 8.270 nan 0.000 0.437 426 L N 0.726 121.915 121.223 -0.058 0.000 2.217 426 L HA -0.095 4.245 4.340 -0.000 0.000 0.211 426 L C 1.964 178.842 176.870 0.013 0.000 1.107 426 L CA 1.142 55.974 54.840 -0.012 0.000 0.783 426 L CB -0.368 41.675 42.059 -0.027 0.000 0.919 426 L HN 0.233 nan 8.230 nan 0.000 0.442 427 E N 0.470 120.667 120.200 -0.005 0.000 2.110 427 E HA -0.226 4.123 4.350 -0.000 0.000 0.193 427 E C 1.880 178.488 176.600 0.013 0.000 0.988 427 E CA 1.123 57.524 56.400 0.003 0.000 0.804 427 E CB -0.010 29.683 29.700 -0.011 0.000 0.745 427 E HN 0.550 nan 8.360 nan 0.000 0.458 428 E N 0.156 120.362 120.200 0.010 0.000 2.274 428 E HA -0.127 4.223 4.350 -0.000 0.000 0.194 428 E C 1.662 178.283 176.600 0.034 0.000 0.996 428 E CA 0.784 57.194 56.400 0.017 0.000 0.840 428 E CB 0.090 29.796 29.700 0.010 0.000 0.772 428 E HN 0.366 nan 8.360 nan 0.000 0.491 429 I N -3.943 116.656 120.570 0.047 0.000 4.227 429 I HA 0.353 4.523 4.170 -0.000 0.000 0.334 429 I C 0.365 176.528 176.117 0.077 0.000 1.341 429 I CA -0.524 60.817 61.300 0.070 0.000 1.123 429 I CB 0.995 39.050 38.000 0.093 0.000 1.097 429 I HN -0.182 nan 8.210 nan 0.000 0.399 430 A N 0.553 123.414 122.820 0.069 0.000 2.413 430 A HA 0.789 5.108 4.320 -0.000 0.000 0.307 430 A C 0.934 178.552 177.584 0.056 0.000 1.087 430 A CA -0.159 51.922 52.037 0.072 0.000 0.750 430 A CB 1.090 20.146 19.000 0.094 0.000 1.296 430 A HN 0.179 nan 8.150 nan 0.000 0.423 431 G N -0.302 108.530 108.800 0.053 0.000 2.494 431 G HA2 0.267 4.227 3.960 -0.000 0.000 0.216 431 G HA3 0.267 4.227 3.960 -0.000 0.000 0.216 431 G C 0.690 175.629 174.900 0.064 0.000 1.140 431 G CA 0.590 45.720 45.100 0.050 0.000 0.801 431 G HN 0.787 nan 8.290 nan 0.000 0.536 432 R N -0.321 120.224 120.500 0.075 0.000 2.533 432 R HA 0.515 4.854 4.340 -0.000 0.000 0.288 432 R C -1.432 174.918 176.300 0.084 0.000 1.039 432 R CA -0.649 55.501 56.100 0.085 0.000 0.909 432 R CB 1.075 31.443 30.300 0.113 0.000 1.195 432 R HN 0.003 nan 8.270 nan 0.000 0.438 433 L N 4.635 125.899 121.223 0.069 0.000 2.295 433 L HA 0.561 4.901 4.340 -0.000 0.000 0.285 433 L C -0.573 176.338 176.870 0.070 0.000 1.035 433 L CA -1.181 53.700 54.840 0.068 0.000 0.806 433 L CB 1.841 43.928 42.059 0.046 0.000 1.214 433 L HN 0.329 nan 8.230 nan 0.000 0.426 434 V N 3.490 123.441 119.914 0.061 0.000 2.448 434 V HA 0.367 4.487 4.120 -0.000 0.000 0.295 434 V C -0.680 175.406 176.094 -0.015 0.000 1.025 434 V CA -0.472 61.846 62.300 0.029 0.000 0.859 434 V CB 1.919 33.743 31.823 0.002 0.000 0.988 434 V HN 0.409 nan 8.190 nan 0.000 0.431 435 F N 4.850 124.706 119.950 -0.156 0.000 2.427 435 F HA 0.517 5.044 4.527 -0.000 0.000 0.346 435 F C 0.963 176.612 175.800 -0.252 0.000 1.120 435 F CA -0.576 57.300 58.000 -0.206 0.000 1.033 435 F CB 1.056 39.971 39.000 -0.141 0.000 1.126 435 F HN 0.646 nan 8.300 nan 0.000 0.462 436 N N 3.163 121.274 118.700 -0.982 0.000 2.707 436 N HA -0.199 4.541 4.740 -0.000 0.000 0.253 436 N C -0.270 175.024 175.510 -0.360 0.000 0.998 436 N CA 1.179 53.814 53.050 -0.691 0.000 0.751 436 N CB -0.980 37.282 38.487 -0.375 0.000 0.920 436 N HN 0.977 nan 8.380 nan 0.000 0.539 437 G N -1.931 106.529 108.800 -0.568 0.000 2.619 437 G HA2 0.615 4.574 3.960 -0.000 0.000 0.305 437 G HA3 0.615 4.574 3.960 -0.000 0.000 0.305 437 G C -1.760 172.770 174.900 -0.617 0.000 1.330 437 G CA -0.916 44.001 45.100 -0.307 0.000 0.789 437 G HN 0.121 nan 8.290 nan 0.000 0.487 438 W N 0.313 121.702 121.300 0.149 0.000 2.666 438 W HA 0.514 5.174 4.660 -0.000 0.000 0.334 438 W C -1.249 175.343 176.519 0.122 0.000 1.051 438 W CA -1.838 55.604 57.345 0.161 0.000 1.224 438 W CB 2.149 31.699 29.460 0.151 0.000 1.405 438 W HN 0.404 nan 8.180 nan 0.000 0.513 439 P HA -0.163 nan 4.420 nan 0.000 0.225 439 P C 1.271 178.726 177.300 0.259 0.000 1.148 439 P CA 1.784 65.032 63.100 0.246 0.000 0.779 439 P CB -0.071 31.772 31.700 0.239 0.000 0.780 440 T N -1.459 113.247 114.554 0.252 0.000 2.635 440 T HA -0.102 4.248 4.350 -0.000 0.000 0.267 440 T C 1.497 176.378 174.700 0.302 0.000 1.040 440 T CA 1.114 63.346 62.100 0.220 0.000 1.156 440 T CB -1.685 67.145 68.868 -0.064 0.000 0.863 440 T HN 0.203 nan 8.240 nan 0.000 0.430 441 G N 1.066 110.007 108.800 0.235 0.000 2.398 441 G HA2 0.442 4.402 3.960 -0.000 0.000 0.246 441 G HA3 0.442 4.402 3.960 -0.000 0.000 0.246 441 G C -0.803 174.217 174.900 0.201 0.000 1.289 441 G CA -0.538 44.700 45.100 0.231 0.000 0.869 441 G HN 0.436 nan 8.290 nan 0.000 0.543 442 V N 3.082 123.098 119.914 0.170 0.000 2.340 442 V HA 0.154 4.274 4.120 -0.000 0.000 0.277 442 V C 0.027 176.162 176.094 0.068 0.000 1.017 442 V CA -0.823 61.543 62.300 0.110 0.000 0.820 442 V CB 1.058 32.902 31.823 0.035 0.000 1.028 442 V HN 0.862 nan 8.190 nan 0.000 0.436 443 E N 3.472 123.715 120.200 0.071 0.000 2.417 443 E HA 0.119 4.469 4.350 -0.000 0.000 0.261 443 E C -0.236 176.365 176.600 0.001 0.000 1.000 443 E CA 0.156 56.582 56.400 0.043 0.000 0.919 443 E CB 1.115 30.847 29.700 0.054 0.000 0.955 443 E HN 0.436 nan 8.360 nan 0.000 0.455 444 V N 6.073 125.967 119.914 -0.035 0.000 2.222 444 V HA 0.434 4.554 4.120 -0.000 0.000 0.253 444 V C 0.815 176.819 176.094 -0.151 0.000 1.210 444 V CA 0.468 62.707 62.300 -0.102 0.000 1.079 444 V CB -0.003 31.746 31.823 -0.123 0.000 1.265 444 V HN 0.729 nan 8.190 nan 0.000 0.494 445 G N 1.101 109.820 108.800 -0.134 0.000 3.286 445 G HA2 0.367 4.327 3.960 -0.000 0.000 0.166 445 G HA3 0.367 4.327 3.960 -0.000 0.000 0.166 445 G C -0.077 174.647 174.900 -0.294 0.000 1.155 445 G CA -0.099 44.906 45.100 -0.159 0.000 0.871 445 G HN 0.322 nan 8.290 nan 0.000 0.637 446 Y N -0.139 120.139 120.300 -0.037 0.000 2.524 446 Y HA 0.378 4.928 4.550 -0.000 0.000 0.270 446 Y C 2.687 178.594 175.900 0.012 0.000 1.094 446 Y CA 0.700 58.787 58.100 -0.022 0.000 1.276 446 Y CB 0.526 38.976 38.460 -0.017 0.000 1.130 446 Y HN 0.374 nan 8.280 nan 0.000 0.536 447 A N -0.290 122.626 122.820 0.160 0.000 2.238 447 A HA 0.138 4.457 4.320 -0.000 0.000 0.210 447 A C 1.004 178.641 177.584 0.088 0.000 1.179 447 A CA -0.136 51.969 52.037 0.112 0.000 0.827 447 A CB -0.631 18.424 19.000 0.093 0.000 0.856 447 A HN 0.243 nan 8.150 nan 0.000 0.488 448 M N 0.800 120.445 119.600 0.075 0.000 2.250 448 M HA 0.260 4.739 4.480 -0.000 0.000 0.337 448 M C -0.860 175.504 176.300 0.105 0.000 1.161 448 M CA 0.510 55.860 55.300 0.084 0.000 1.088 448 M CB 0.432 33.069 32.600 0.062 0.000 1.639 448 M HN -0.049 nan 8.290 nan 0.000 0.447 449 V N 5.993 125.983 119.914 0.127 0.000 2.398 449 V HA 0.236 4.356 4.120 -0.000 0.000 0.282 449 V C -1.392 174.812 176.094 0.184 0.000 1.014 449 V CA -0.592 61.787 62.300 0.133 0.000 0.838 449 V CB 0.756 32.637 31.823 0.096 0.000 1.018 449 V HN 0.865 nan 8.190 nan 0.000 0.432 450 H N 3.337 122.469 119.070 0.102 0.000 2.673 450 H HA 0.775 5.330 4.556 -0.000 0.000 0.293 450 H C 0.310 175.719 175.328 0.134 0.000 1.065 450 H CA 0.919 57.042 56.048 0.125 0.000 1.236 450 H CB 1.055 30.909 29.762 0.153 0.000 1.389 450 H HN 0.886 nan 8.280 nan 0.000 0.481 451 G N 2.197 110.928 108.800 -0.116 0.000 2.439 451 G HA2 0.456 4.415 3.960 -0.000 0.000 0.186 451 G HA3 0.456 4.415 3.960 -0.000 0.000 0.186 451 G C -0.161 174.733 174.900 -0.009 0.000 1.260 451 G CA -0.168 44.904 45.100 -0.046 0.000 1.020 451 G HN 1.322 nan 8.290 nan 0.000 0.470 452 G N -1.148 107.672 108.800 0.033 0.000 2.334 452 G HA2 0.500 4.460 3.960 -0.000 0.000 0.315 452 G HA3 0.500 4.460 3.960 -0.000 0.000 0.315 452 G C -3.386 171.542 174.900 0.046 0.000 1.284 452 G CA 0.153 45.274 45.100 0.036 0.000 0.985 452 G HN 0.870 nan 8.290 nan 0.000 0.504 453 P HA 0.266 nan 4.420 nan 0.000 0.269 453 P C -0.331 177.028 177.300 0.099 0.000 1.217 453 P CA -0.045 63.099 63.100 0.073 0.000 0.783 453 P CB 0.194 31.936 31.700 0.069 0.000 0.898 454 Y N 4.843 125.133 120.300 -0.018 0.000 2.702 454 Y HA 0.024 4.574 4.550 -0.000 0.000 0.336 454 Y C -1.041 174.856 175.900 -0.005 0.000 1.235 454 Y CA -0.761 57.318 58.100 -0.035 0.000 1.492 454 Y CB 0.257 38.663 38.460 -0.089 0.000 1.308 454 Y HN 0.400 nan 8.280 nan 0.000 0.589 455 P HA 0.027 nan 4.420 nan 0.000 0.249 455 P C 0.736 177.838 177.300 -0.331 0.000 1.229 455 P CA 1.099 63.714 63.100 -0.808 0.000 0.788 455 P CB 0.089 31.382 31.700 -0.679 0.000 1.072 456 A N 0.078 122.824 122.820 -0.123 0.000 1.958 456 A HA -0.089 4.231 4.320 -0.000 0.000 0.221 456 A C 1.394 178.968 177.584 -0.017 0.000 1.178 456 A CA 1.772 53.782 52.037 -0.045 0.000 0.642 456 A CB -0.782 18.214 19.000 -0.008 0.000 0.816 456 A HN 0.418 nan 8.150 nan 0.000 0.453 457 S N -3.853 111.851 115.700 0.006 0.000 2.550 457 S HA 0.409 4.879 4.470 -0.000 0.000 0.270 457 S C 0.407 175.090 174.600 0.139 0.000 1.145 457 S CA 0.296 58.558 58.200 0.103 0.000 0.852 457 S CB 1.246 64.531 63.200 0.143 0.000 1.119 457 S HN 0.666 nan 8.310 nan 0.000 0.465 458 T N 0.064 114.746 114.554 0.212 0.000 3.107 458 T HA 0.261 4.611 4.350 -0.000 0.000 0.249 458 T C 0.206 175.061 174.700 0.258 0.000 1.096 458 T CA 0.469 62.665 62.100 0.160 0.000 1.012 458 T CB -0.437 68.472 68.868 0.069 0.000 0.977 458 T HN 0.689 nan 8.240 nan 0.000 0.527 459 H N 0.824 120.004 119.070 0.184 0.000 2.661 459 H HA 0.428 4.984 4.556 -0.000 0.000 0.243 459 H C 1.153 176.590 175.328 0.182 0.000 1.410 459 H CA -0.252 55.910 56.048 0.190 0.000 1.509 459 H CB 0.661 30.574 29.762 0.252 0.000 1.761 459 H HN 0.126 nan 8.280 nan 0.000 0.576 460 S N 1.631 117.304 115.700 -0.044 0.000 2.440 460 S HA -0.119 4.351 4.470 -0.000 0.000 0.238 460 S C 1.570 176.101 174.600 -0.114 0.000 1.010 460 S CA 0.630 58.806 58.200 -0.041 0.000 0.972 460 S CB -0.011 63.181 63.200 -0.013 0.000 0.774 460 S HN 0.573 nan 8.310 nan 0.000 0.501 461 A N 1.534 124.151 122.820 -0.339 0.000 3.135 461 A HA 0.631 4.951 4.320 -0.000 0.000 0.253 461 A C 0.595 178.126 177.584 -0.090 0.000 1.638 461 A CA 0.014 51.912 52.037 -0.232 0.000 1.295 461 A CB -0.886 17.966 19.000 -0.246 0.000 1.106 461 A HN 0.936 nan 8.150 nan 0.000 0.648 462 S N -1.249 114.474 115.700 0.039 0.000 2.663 462 S HA 0.666 5.136 4.470 -0.000 0.000 0.264 462 S C -0.722 173.944 174.600 0.109 0.000 1.112 462 S CA -0.036 58.244 58.200 0.133 0.000 0.823 462 S CB 1.218 64.611 63.200 0.320 0.000 1.111 462 S HN 0.909 nan 8.310 nan 0.000 0.476 463 T N 0.111 114.713 114.554 0.081 0.000 2.933 463 T HA 0.640 4.990 4.350 -0.000 0.000 0.305 463 T C 0.625 175.382 174.700 0.096 0.000 1.092 463 T CA 0.138 62.308 62.100 0.116 0.000 1.008 463 T CB 1.573 70.516 68.868 0.125 0.000 1.102 463 T HN 1.492 nan 8.240 nan 0.000 0.469 464 S N 2.306 118.117 115.700 0.185 0.000 2.556 464 S HA 0.396 4.866 4.470 -0.000 0.000 0.216 464 S C 0.217 174.899 174.600 0.136 0.000 0.970 464 S CA -0.219 58.089 58.200 0.180 0.000 0.912 464 S CB 0.137 63.522 63.200 0.308 0.000 0.790 464 S HN 0.496 nan 8.310 nan 0.000 0.504 465 V N 0.845 120.846 119.914 0.145 0.000 2.841 465 V HA 0.808 4.928 4.120 -0.000 0.000 0.310 465 V C 0.329 176.464 176.094 0.068 0.000 1.090 465 V CA 0.173 62.503 62.300 0.050 0.000 0.930 465 V CB 1.008 32.797 31.823 -0.057 0.000 1.014 465 V HN 0.756 nan 8.190 nan 0.000 0.425 466 G N 2.710 111.514 108.800 0.007 0.000 2.570 466 G HA2 0.355 4.315 3.960 -0.000 0.000 0.686 466 G HA3 0.355 4.315 3.960 -0.000 0.000 0.686 466 G C 0.549 175.387 174.900 -0.102 0.000 1.257 466 G CA -0.173 44.875 45.100 -0.087 0.000 0.846 466 G HN 1.607 nan 8.290 nan 0.000 0.627 467 A N -0.299 122.346 122.820 -0.293 0.000 1.986 467 A HA 0.004 4.324 4.320 -0.000 0.000 0.220 467 A C 1.996 179.639 177.584 0.099 0.000 1.171 467 A CA 2.402 54.294 52.037 -0.241 0.000 0.640 467 A CB -0.327 18.480 19.000 -0.322 0.000 0.811 467 A HN 0.749 nan 8.150 nan 0.000 0.451 468 E N -0.121 120.159 120.200 0.133 0.000 2.418 468 E HA -0.004 4.346 4.350 -0.000 0.000 0.197 468 E C 2.028 178.714 176.600 0.144 0.000 1.026 468 E CA 0.792 57.325 56.400 0.221 0.000 0.862 468 E CB -0.495 29.343 29.700 0.230 0.000 0.799 468 E HN 0.632 nan 8.360 nan 0.000 0.518 469 A N 1.222 124.130 122.820 0.146 0.000 2.070 469 A HA -0.119 4.201 4.320 -0.000 0.000 0.220 469 A C 2.171 179.687 177.584 -0.113 0.000 1.159 469 A CA 0.609 52.670 52.037 0.040 0.000 0.656 469 A CB -0.582 18.514 19.000 0.160 0.000 0.800 469 A HN 0.303 nan 8.150 nan 0.000 0.453 470 I N -1.078 119.469 120.570 -0.039 0.000 2.361 470 I HA -0.228 3.942 4.170 -0.000 0.000 0.251 470 I C 1.965 177.932 176.117 -0.248 0.000 1.133 470 I CA 1.188 62.419 61.300 -0.114 0.000 1.413 470 I CB -0.211 37.767 38.000 -0.037 0.000 1.073 470 I HN 0.416 nan 8.210 nan 0.000 0.424 471 H N 0.937 119.961 119.070 -0.077 0.000 2.521 471 H HA -0.052 4.504 4.556 -0.000 0.000 0.286 471 H C 2.079 177.245 175.328 -0.270 0.000 1.034 471 H CA 0.792 56.776 56.048 -0.107 0.000 1.278 471 H CB -0.207 29.535 29.762 -0.033 0.000 1.386 471 H HN 0.431 nan 8.280 nan 0.000 0.567 472 R N -0.083 120.075 120.500 -0.570 0.000 2.193 472 R HA -0.132 4.208 4.340 -0.000 0.000 0.229 472 R C 0.919 176.726 176.300 -0.821 0.000 1.110 472 R CA 1.248 56.705 56.100 -1.071 0.000 0.988 472 R CB -0.093 28.855 30.300 -2.253 0.000 0.871 472 R HN 0.403 nan 8.270 nan 0.000 0.458 473 W N 0.555 121.804 121.300 -0.085 0.000 3.223 473 W HA 0.343 5.002 4.660 -0.000 0.000 0.389 473 W C -0.357 176.155 176.519 -0.012 0.000 1.118 473 W CA -0.666 56.666 57.345 -0.022 0.000 1.902 473 W CB 0.327 29.751 29.460 -0.059 0.000 1.094 473 W HN -0.153 nan 8.180 nan 0.000 0.666 474 L N 1.700 122.989 121.223 0.110 0.000 2.354 474 L HA 0.717 5.057 4.340 -0.000 0.000 0.264 474 L C 0.059 176.976 176.870 0.078 0.000 1.008 474 L CA -1.416 53.469 54.840 0.075 0.000 0.819 474 L CB 2.095 44.173 42.059 0.031 0.000 1.339 474 L HN -0.088 nan 8.230 nan 0.000 0.420 475 R N 0.906 121.445 120.500 0.066 0.000 2.725 475 R HA 0.675 5.015 4.340 -0.000 0.000 0.277 475 R C -3.066 173.268 176.300 0.057 0.000 0.987 475 R CA -1.847 54.290 56.100 0.063 0.000 0.901 475 R CB 1.931 32.267 30.300 0.060 0.000 1.207 475 R HN 0.201 nan 8.270 nan 0.000 0.463 476 P HA 0.236 nan 4.420 nan 0.000 0.281 476 P C -0.830 176.489 177.300 0.032 0.000 1.249 476 P CA -0.559 62.576 63.100 0.058 0.000 0.810 476 P CB 1.695 33.428 31.700 0.054 0.000 1.008 477 V N 1.518 121.455 119.914 0.040 0.000 2.638 477 V HA 0.604 4.724 4.120 -0.000 0.000 0.306 477 V C 0.087 176.116 176.094 -0.108 0.000 1.052 477 V CA -0.862 61.387 62.300 -0.086 0.000 0.885 477 V CB 1.759 33.490 31.823 -0.153 0.000 0.999 477 V HN 0.778 nan 8.190 nan 0.000 0.424 478 A N 3.992 126.694 122.820 -0.197 0.000 2.312 478 A HA 0.888 5.208 4.320 -0.000 0.000 0.326 478 A C -1.510 175.906 177.584 -0.281 0.000 1.172 478 A CA -0.337 51.649 52.037 -0.086 0.000 0.821 478 A CB 0.690 19.673 19.000 -0.029 0.000 1.166 478 A HN 0.733 nan 8.150 nan 0.000 0.493 479 Y N 0.388 120.696 120.300 0.014 0.000 2.331 479 Y HA 0.520 5.069 4.550 -0.000 0.000 0.334 479 Y C 0.225 176.130 175.900 0.009 0.000 0.960 479 Y CA -0.360 57.747 58.100 0.011 0.000 1.130 479 Y CB 1.909 40.374 38.460 0.009 0.000 1.164 479 Y HN 0.737 nan 8.280 nan 0.000 0.458 480 Q N 2.417 122.285 119.800 0.112 0.000 2.341 480 Q HA 0.584 4.924 4.340 -0.000 0.000 0.268 480 Q C 0.100 176.139 176.000 0.065 0.000 1.013 480 Q CA -0.133 55.714 55.803 0.073 0.000 0.798 480 Q CB 1.212 29.971 28.738 0.035 0.000 1.253 480 Q HN 0.969 nan 8.270 nan 0.000 0.457 481 A N 3.098 125.953 122.820 0.057 0.000 2.860 481 A HA -0.204 4.116 4.320 -0.000 0.000 0.267 481 A C -0.664 176.948 177.584 0.046 0.000 1.421 481 A CA 0.516 52.578 52.037 0.043 0.000 0.831 481 A CB -1.915 17.103 19.000 0.031 0.000 1.041 481 A HN 0.610 nan 8.150 nan 0.000 0.623 482 L N 1.167 122.429 121.223 0.065 0.000 2.417 482 L HA 0.472 4.812 4.340 -0.000 0.000 0.268 482 L C -1.030 175.860 176.870 0.032 0.000 1.158 482 L CA -1.083 53.793 54.840 0.060 0.000 0.819 482 L CB 0.223 42.339 42.059 0.095 0.000 1.112 482 L HN 0.342 nan 8.230 nan 0.000 0.458 483 P HA 0.100 nan 4.420 nan 0.000 0.274 483 P C 0.042 177.342 177.300 -0.001 0.000 1.231 483 P CA -0.450 62.656 63.100 0.011 0.000 0.790 483 P CB 0.896 32.603 31.700 0.011 0.000 0.951 484 E N 1.282 121.477 120.200 -0.007 0.000 2.108 484 E HA -0.204 4.146 4.350 -0.000 0.000 0.203 484 E C 1.838 178.425 176.600 -0.022 0.000 1.022 484 E CA 2.243 58.632 56.400 -0.019 0.000 0.823 484 E CB -0.859 28.832 29.700 -0.016 0.000 0.744 484 E HN 0.639 nan 8.360 nan 0.000 0.456 485 S N -0.026 115.667 115.700 -0.012 0.000 2.474 485 S HA -0.056 4.414 4.470 -0.000 0.000 0.235 485 S C 1.968 176.562 174.600 -0.010 0.000 0.997 485 S CA 0.664 58.858 58.200 -0.011 0.000 0.949 485 S CB -0.227 62.971 63.200 -0.003 0.000 0.766 485 S HN 0.208 nan 8.310 nan 0.000 0.517 486 L N 0.022 121.241 121.223 -0.007 0.000 2.590 486 L HA 0.430 4.770 4.340 -0.000 0.000 0.227 486 L C 0.477 177.334 176.870 -0.022 0.000 1.099 486 L CA -0.125 54.716 54.840 0.001 0.000 0.872 486 L CB -0.061 42.013 42.059 0.025 0.000 1.088 486 L HN 0.224 nan 8.230 nan 0.000 0.479 487 L N 1.938 123.123 121.223 -0.062 0.000 2.417 487 L HA 0.237 4.576 4.340 -0.000 0.000 0.268 487 L C -1.813 174.949 176.870 -0.180 0.000 1.158 487 L CA -1.733 53.010 54.840 -0.161 0.000 0.819 487 L CB 0.533 42.498 42.059 -0.157 0.000 1.112 487 L HN -0.170 nan 8.230 nan 0.000 0.458 488 P HA 0.013 nan 4.420 nan 0.000 0.271 488 P C -0.389 176.804 177.300 -0.179 0.000 1.218 488 P CA -0.349 62.630 63.100 -0.202 0.000 0.780 488 P CB 0.860 32.410 31.700 -0.249 0.000 0.901 489 D N 1.152 121.477 120.400 -0.125 0.000 2.149 489 D HA -0.178 4.462 4.640 -0.000 0.000 0.194 489 D C 1.969 178.180 176.300 -0.149 0.000 1.001 489 D CA 2.188 56.121 54.000 -0.110 0.000 0.849 489 D CB -0.661 40.096 40.800 -0.072 0.000 0.939 489 D HN 0.498 nan 8.370 nan 0.000 0.449 490 S N -0.162 115.395 115.700 -0.237 0.000 2.440 490 S HA -0.123 4.346 4.470 -0.000 0.000 0.238 490 S C 1.852 176.335 174.600 -0.194 0.000 1.010 490 S CA 0.719 58.736 58.200 -0.305 0.000 0.972 490 S CB -0.335 62.471 63.200 -0.657 0.000 0.774 490 S HN 0.316 nan 8.310 nan 0.000 0.501 491 L N -0.142 120.965 121.223 -0.192 0.000 2.808 491 L HA 0.346 4.686 4.340 -0.000 0.000 0.246 491 L C 0.499 177.301 176.870 -0.114 0.000 1.153 491 L CA -0.301 54.448 54.840 -0.151 0.000 0.956 491 L CB 0.067 41.996 42.059 -0.217 0.000 1.270 491 L HN 0.072 nan 8.230 nan 0.000 0.528 492 K N 0.508 120.845 120.400 -0.104 0.000 2.355 492 K HA 0.165 4.484 4.320 -0.000 0.000 0.270 492 K C 1.317 177.888 176.600 -0.049 0.000 1.003 492 K CA 0.273 56.517 56.287 -0.072 0.000 0.957 492 K CB 1.381 33.844 32.500 -0.062 0.000 0.939 492 K HN 0.047 nan 8.250 nan 0.000 0.482 493 A N 3.257 126.055 122.820 -0.035 0.000 1.917 493 A HA -0.246 4.074 4.320 -0.000 0.000 0.219 493 A C 1.722 179.294 177.584 -0.020 0.000 1.182 493 A CA 2.096 54.119 52.037 -0.023 0.000 0.633 493 A CB -0.585 18.406 19.000 -0.016 0.000 0.819 493 A HN 0.917 nan 8.150 nan 0.000 0.448 494 E N -0.879 119.308 120.200 -0.021 0.000 2.511 494 E HA -0.036 4.314 4.350 -0.000 0.000 0.196 494 E C 0.463 177.051 176.600 -0.019 0.000 1.066 494 E CA 0.287 56.676 56.400 -0.017 0.000 0.871 494 E CB -0.358 29.333 29.700 -0.016 0.000 0.863 494 E HN 0.408 nan 8.360 nan 0.000 0.520 495 N N 1.652 120.336 118.700 -0.027 0.000 2.688 495 N HA -0.135 4.605 4.740 -0.000 0.000 0.258 495 N C -1.543 173.952 175.510 -0.025 0.000 1.016 495 N CA 0.778 53.810 53.050 -0.029 0.000 0.747 495 N CB -0.317 38.159 38.487 -0.019 0.000 0.895 495 N HN 0.276 nan 8.380 nan 0.000 0.543 496 P HA -0.166 nan 4.420 nan 0.000 0.219 496 P C 1.455 178.744 177.300 -0.018 0.000 1.146 496 P CA 0.971 64.058 63.100 -0.022 0.000 0.808 496 P CB 0.153 31.838 31.700 -0.025 0.000 0.779 497 L N -0.837 120.372 121.223 -0.024 0.000 2.492 497 L HA 0.088 4.428 4.340 -0.000 0.000 0.223 497 L C 0.686 177.554 176.870 -0.004 0.000 1.132 497 L CA 0.317 55.149 54.840 -0.012 0.000 0.850 497 L CB -0.969 41.080 42.059 -0.017 0.000 0.966 497 L HN -0.031 nan 8.230 nan 0.000 0.454 498 E N 1.241 121.437 120.200 -0.007 0.000 2.297 498 E HA -0.228 4.121 4.350 -0.000 0.000 0.228 498 E C -0.054 176.550 176.600 0.007 0.000 1.213 498 E CA 0.347 56.746 56.400 -0.002 0.000 0.712 498 E CB -1.505 28.194 29.700 -0.002 0.000 1.202 498 E HN 0.631 nan 8.360 nan 0.000 0.376 499 I N -3.241 117.337 120.570 0.014 0.000 2.783 499 I HA 0.670 4.840 4.170 -0.000 0.000 0.312 499 I C 0.550 176.688 176.117 0.035 0.000 0.988 499 I CA -1.054 60.268 61.300 0.036 0.000 1.182 499 I CB 1.255 39.300 38.000 0.074 0.000 1.368 499 I HN -0.020 nan 8.210 nan 0.000 0.511 500 A N 4.232 127.081 122.820 0.047 0.000 2.450 500 A HA 0.554 4.874 4.320 -0.000 0.000 0.255 500 A C -0.002 177.614 177.584 0.053 0.000 1.096 500 A CA -0.326 51.736 52.037 0.042 0.000 0.778 500 A CB 0.109 19.134 19.000 0.042 0.000 1.031 500 A HN 0.832 nan 8.150 nan 0.000 0.494 501 R N 1.099 121.621 120.500 0.038 0.000 2.651 501 R HA 0.600 4.939 4.340 -0.000 0.000 0.278 501 R C -0.915 175.404 176.300 0.030 0.000 1.010 501 R CA -0.611 55.512 56.100 0.038 0.000 0.896 501 R CB 2.394 32.708 30.300 0.024 0.000 1.211 501 R HN 0.791 nan 8.270 nan 0.000 0.456 502 A N 2.427 125.267 122.820 0.034 0.000 2.260 502 A HA 0.537 4.857 4.320 -0.000 0.000 0.308 502 A C -0.309 177.289 177.584 0.023 0.000 1.254 502 A CA -0.538 51.515 52.037 0.027 0.000 0.874 502 A CB 0.860 19.878 19.000 0.029 0.000 1.153 502 A HN 0.370 nan 8.150 nan 0.000 0.527 503 V N 3.212 123.137 119.914 0.017 0.000 2.417 503 V HA 0.281 4.401 4.120 -0.000 0.000 0.291 503 V C -0.226 175.876 176.094 0.014 0.000 1.024 503 V CA -0.525 61.784 62.300 0.015 0.000 0.861 503 V CB 1.260 33.089 31.823 0.011 0.000 0.985 503 V HN 1.000 nan 8.190 nan 0.000 0.436 504 D N 4.415 124.824 120.400 0.015 0.000 2.692 504 D HA -0.228 4.412 4.640 -0.000 0.000 0.233 504 D C 1.334 177.641 176.300 0.012 0.000 1.172 504 D CA 1.515 55.523 54.000 0.013 0.000 0.636 504 D CB -0.909 39.897 40.800 0.011 0.000 1.028 504 D HN 1.394 nan 8.370 nan 0.000 0.419 505 G N -0.660 108.148 108.800 0.013 0.000 2.199 505 G HA2 -0.366 3.593 3.960 -0.000 0.000 0.254 505 G HA3 -0.366 3.593 3.960 -0.000 0.000 0.254 505 G C 0.385 175.291 174.900 0.010 0.000 0.982 505 G CA 0.646 45.753 45.100 0.012 0.000 0.632 505 G HN 0.489 nan 8.290 nan 0.000 0.529 506 K N 1.100 121.506 120.400 0.010 0.000 2.218 506 K HA 0.631 4.951 4.320 -0.000 0.000 0.276 506 K C 0.938 177.544 176.600 0.010 0.000 1.022 506 K CA -0.009 56.283 56.287 0.008 0.000 0.946 506 K CB 1.188 33.693 32.500 0.007 0.000 1.000 506 K HN 0.586 nan 8.250 nan 0.000 0.468 507 A N 2.164 124.989 122.820 0.008 0.000 2.561 507 A HA 0.233 4.553 4.320 -0.000 0.000 0.234 507 A C 0.502 178.093 177.584 0.013 0.000 1.055 507 A CA 0.248 52.291 52.037 0.010 0.000 0.756 507 A CB -0.033 18.971 19.000 0.006 0.000 0.986 507 A HN 0.843 nan 8.150 nan 0.000 0.505 508 A N 0.000 122.831 122.820 0.018 0.000 2.254 508 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 508 A CA 0.000 52.051 52.037 0.023 0.000 0.836 508 A CB 0.000 19.021 19.000 0.035 0.000 0.831 508 A HN 0.000 nan 8.150 nan 0.000 0.486