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 1ez0_1_B 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 0.000 175.532 175.510 0.036 0.000 1.280 7 N CA 0.000 53.073 53.050 0.038 0.000 0.885 7 N CB 0.000 38.512 38.487 0.042 0.000 1.341 8 V N -0.701 119.242 119.914 0.048 0.000 3.181 8 V HA 0.938 5.057 4.120 -0.000 0.000 0.308 8 V C -1.355 174.812 176.094 0.122 0.000 1.214 8 V CA -0.730 61.582 62.300 0.020 0.000 1.053 8 V CB 1.654 33.383 31.823 -0.156 0.000 1.069 8 V HN 0.639 nan 8.190 nan 0.000 0.441 9 F N -0.455 119.390 119.950 -0.175 0.000 2.662 9 F HA 0.924 5.451 4.527 -0.000 0.000 0.312 9 F C -1.948 173.748 175.800 -0.174 0.000 1.113 9 F CA -1.418 56.541 58.000 -0.068 0.000 0.951 9 F CB 1.365 40.382 39.000 0.029 0.000 1.344 9 F HN 0.605 nan 8.300 nan 0.000 0.462 10 Y N 1.240 121.587 120.300 0.078 0.000 2.549 10 Y HA 0.773 5.323 4.550 -0.000 0.000 0.339 10 Y C 0.365 176.331 175.900 0.110 0.000 1.053 10 Y CA -1.057 57.054 58.100 0.018 0.000 1.105 10 Y CB 1.798 40.285 38.460 0.046 0.000 1.258 10 Y HN 1.002 nan 8.280 nan 0.000 0.478 11 A N 0.704 123.688 122.820 0.273 0.000 2.332 11 A HA 0.589 4.909 4.320 -0.000 0.000 0.258 11 A C -0.265 177.436 177.584 0.195 0.000 1.087 11 A CA -0.351 51.803 52.037 0.194 0.000 0.802 11 A CB 0.035 19.116 19.000 0.134 0.000 1.042 11 A HN 0.691 nan 8.150 nan 0.000 0.489 12 T N 2.367 117.009 114.554 0.147 0.000 2.795 12 T HA 0.199 4.549 4.350 -0.000 0.000 0.282 12 T C 0.325 175.067 174.700 0.069 0.000 0.980 12 T CA -0.496 61.669 62.100 0.107 0.000 1.012 12 T CB 0.407 69.329 68.868 0.091 0.000 0.936 12 T HN 0.665 nan 8.240 nan 0.000 0.457 13 N N 2.261 121.001 118.700 0.067 0.000 2.438 13 N HA 0.056 4.795 4.740 -0.000 0.000 0.267 13 N C 1.202 176.718 175.510 0.010 0.000 1.222 13 N CA -0.184 52.904 53.050 0.063 0.000 0.930 13 N CB 0.961 39.502 38.487 0.091 0.000 1.083 13 N HN 0.737 nan 8.380 nan 0.000 0.476 14 A N 4.339 127.104 122.820 -0.092 0.000 2.019 14 A HA -0.122 4.198 4.320 -0.000 0.000 0.219 14 A C 1.444 178.837 177.584 -0.318 0.000 1.164 14 A CA 1.103 52.986 52.037 -0.257 0.000 0.644 14 A CB -0.412 18.320 19.000 -0.447 0.000 0.805 14 A HN 0.705 nan 8.150 nan 0.000 0.449 15 F N -0.264 119.651 119.950 -0.057 0.000 2.473 15 F HA 0.017 4.544 4.527 -0.000 0.000 0.294 15 F C 2.636 178.421 175.800 -0.026 0.000 1.103 15 F CA 1.541 59.511 58.000 -0.050 0.000 1.442 15 F CB -0.105 38.856 39.000 -0.065 0.000 1.097 15 F HN 0.328 nan 8.300 nan 0.000 0.547 16 T N -4.760 109.885 114.554 0.152 0.000 2.969 16 T HA 0.425 4.775 4.350 -0.000 0.000 0.250 16 T C 1.792 176.524 174.700 0.053 0.000 1.021 16 T CA 0.590 62.744 62.100 0.091 0.000 1.003 16 T CB 0.419 69.334 68.868 0.078 0.000 1.040 16 T HN 0.336 nan 8.240 nan 0.000 0.492 17 G N 1.265 110.091 108.800 0.044 0.000 2.176 17 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.253 17 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.253 17 G C -0.163 174.760 174.900 0.039 0.000 0.979 17 G CA 0.345 45.466 45.100 0.035 0.000 0.641 17 G HN 0.870 nan 8.290 nan 0.000 0.530 18 E N 0.415 120.639 120.200 0.040 0.000 2.250 18 E HA 0.694 5.044 4.350 -0.000 0.000 0.269 18 E C 0.811 177.432 176.600 0.036 0.000 1.018 18 E CA -0.253 56.164 56.400 0.028 0.000 0.873 18 E CB 1.014 30.726 29.700 0.019 0.000 1.134 18 E HN 0.701 nan 8.360 nan 0.000 0.403 19 A N 3.405 126.232 122.820 0.012 0.000 2.425 19 A HA 0.286 4.606 4.320 -0.000 0.000 0.249 19 A C -0.288 177.311 177.584 0.025 0.000 1.084 19 A CA -0.152 51.898 52.037 0.021 0.000 0.781 19 A CB 0.141 19.086 19.000 -0.091 0.000 1.019 19 A HN 0.598 nan 8.150 nan 0.000 0.490 20 L N 3.417 124.699 121.223 0.099 0.000 2.399 20 L HA 0.415 4.755 4.340 -0.000 0.000 0.265 20 L C -1.576 175.372 176.870 0.131 0.000 1.089 20 L CA -2.008 52.895 54.840 0.106 0.000 0.802 20 L CB 1.205 43.348 42.059 0.140 0.000 1.180 20 L HN 0.574 nan 8.230 nan 0.000 0.454 21 P HA 0.179 nan 4.420 nan 0.000 0.271 21 P C -0.940 176.414 177.300 0.091 0.000 1.244 21 P CA -0.232 62.919 63.100 0.086 0.000 0.793 21 P CB 0.774 32.497 31.700 0.038 0.000 0.984 22 L N -2.848 118.385 121.223 0.017 0.000 2.178 22 L HA -0.126 4.214 4.340 -0.000 0.000 0.544 22 L C -0.081 176.420 176.870 -0.615 0.000 1.001 22 L CA -0.257 54.418 54.840 -0.275 0.000 1.227 22 L CB -1.604 40.248 42.059 -0.345 0.000 1.826 22 L HN 0.637 nan 8.230 nan 0.000 0.953 23 A N 4.157 126.528 122.820 -0.749 0.000 2.304 23 A HA 0.913 5.233 4.320 -0.000 0.000 0.301 23 A C -0.792 176.092 177.584 -1.166 0.000 1.132 23 A CA -0.132 51.224 52.037 -1.135 0.000 0.819 23 A CB 0.564 19.069 19.000 -0.825 0.000 1.094 23 A HN 0.401 nan 8.150 nan 0.000 0.492 24 F N 1.728 121.263 119.950 -0.691 0.000 2.546 24 F HA 0.535 5.062 4.527 -0.000 0.000 0.320 24 F C -1.998 173.601 175.800 -0.335 0.000 1.076 24 F CA -2.346 55.338 58.000 -0.526 0.000 0.928 24 F CB 2.112 40.657 39.000 -0.757 0.000 1.189 24 F HN 0.356 nan 8.300 nan 0.000 0.465 25 P HA 0.113 nan 4.420 nan 0.000 0.274 25 P C -0.746 176.515 177.300 -0.065 0.000 1.231 25 P CA -0.159 62.871 63.100 -0.117 0.000 0.790 25 P CB 1.636 33.183 31.700 -0.254 0.000 0.951 26 V N 3.810 123.712 119.914 -0.020 0.000 2.270 26 V HA 0.157 4.277 4.120 -0.000 0.000 0.263 26 V C 0.674 176.764 176.094 -0.007 0.000 1.066 26 V CA -0.364 61.936 62.300 0.001 0.000 0.857 26 V CB -1.273 30.571 31.823 0.034 0.000 1.099 26 V HN 0.548 nan 8.190 nan 0.000 0.476 27 H N 2.397 121.495 119.070 0.046 0.000 2.690 27 H HA 0.478 5.034 4.556 -0.000 0.000 0.365 27 H C 0.884 176.212 175.328 0.000 0.000 1.142 27 H CA 0.389 56.446 56.048 0.015 0.000 1.417 27 H CB 1.205 30.967 29.762 0.001 0.000 1.446 27 H HN 0.715 nan 8.280 nan 0.000 0.599 28 T N -2.192 112.448 114.554 0.142 0.000 2.645 28 T HA 0.108 4.458 4.350 -0.000 0.000 0.273 28 T C 1.149 175.876 174.700 0.045 0.000 0.960 28 T CA -0.937 61.206 62.100 0.071 0.000 1.051 28 T CB 1.237 70.137 68.868 0.054 0.000 1.366 28 T HN 0.725 nan 8.240 nan 0.000 0.536 29 E N -0.334 119.889 120.200 0.039 0.000 2.209 29 E HA -0.126 4.224 4.350 -0.000 0.000 0.196 29 E C 1.870 178.488 176.600 0.029 0.000 0.993 29 E CA 1.170 57.594 56.400 0.041 0.000 0.819 29 E CB -0.298 29.427 29.700 0.042 0.000 0.745 29 E HN 0.476 nan 8.360 nan 0.000 0.477 30 V N 0.895 120.820 119.914 0.019 0.000 2.261 30 V HA -0.247 3.873 4.120 -0.000 0.000 0.246 30 V C 1.982 178.057 176.094 -0.032 0.000 1.047 30 V CA 2.234 64.537 62.300 0.004 0.000 1.015 30 V CB -0.470 31.358 31.823 0.009 0.000 0.642 30 V HN 0.230 nan 8.190 nan 0.000 0.446 31 E N -0.082 120.081 120.200 -0.061 0.000 2.150 31 E HA -0.121 4.229 4.350 -0.000 0.000 0.193 31 E C 2.082 178.581 176.600 -0.168 0.000 0.985 31 E CA 0.879 57.181 56.400 -0.164 0.000 0.814 31 E CB -0.462 29.036 29.700 -0.338 0.000 0.752 31 E HN 0.409 nan 8.360 nan 0.000 0.466 32 V N 1.637 121.489 119.914 -0.104 0.000 2.261 32 V HA -0.289 3.831 4.120 -0.000 0.000 0.246 32 V C 1.728 177.726 176.094 -0.161 0.000 1.047 32 V CA 1.879 64.112 62.300 -0.112 0.000 1.015 32 V CB -0.527 31.286 31.823 -0.016 0.000 0.642 32 V HN 0.297 nan 8.190 nan 0.000 0.446 33 N N -0.144 118.530 118.700 -0.043 0.000 2.069 33 N HA -0.203 4.537 4.740 -0.000 0.000 0.191 33 N C 1.895 177.346 175.510 -0.098 0.000 1.031 33 N CA 1.413 54.465 53.050 0.005 0.000 0.852 33 N CB -0.491 38.064 38.487 0.113 0.000 1.018 33 N HN 0.452 nan 8.380 nan 0.000 0.423 34 Q N 0.734 120.479 119.800 -0.092 0.000 2.050 34 Q HA -0.027 4.313 4.340 -0.000 0.000 0.202 34 Q C 1.864 177.774 176.000 -0.149 0.000 0.980 34 Q CA 1.567 57.310 55.803 -0.101 0.000 0.840 34 Q CB -0.240 28.441 28.738 -0.095 0.000 0.898 34 Q HN 0.347 nan 8.270 nan 0.000 0.424 35 A N 0.729 123.432 122.820 -0.195 0.000 1.877 35 A HA -0.117 4.203 4.320 -0.000 0.000 0.216 35 A C 2.311 179.749 177.584 -0.243 0.000 1.186 35 A CA 2.177 54.081 52.037 -0.222 0.000 0.620 35 A CB -0.909 17.939 19.000 -0.253 0.000 0.822 35 A HN 0.488 nan 8.150 nan 0.000 0.443 36 A N -1.133 121.488 122.820 -0.333 0.000 1.933 36 A HA -0.070 4.250 4.320 -0.000 0.000 0.218 36 A C 2.300 179.730 177.584 -0.256 0.000 1.175 36 A CA 2.284 54.082 52.037 -0.399 0.000 0.628 36 A CB -1.242 17.219 19.000 -0.900 0.000 0.814 36 A HN 0.442 nan 8.150 nan 0.000 0.444 37 T N 0.300 114.734 114.554 -0.201 0.000 2.708 37 T HA -0.015 4.335 4.350 -0.000 0.000 0.266 37 T C 2.233 176.889 174.700 -0.075 0.000 1.037 37 T CA 1.589 63.641 62.100 -0.080 0.000 1.146 37 T CB -0.441 68.404 68.868 -0.037 0.000 0.865 37 T HN 0.590 nan 8.240 nan 0.000 0.435 38 A N 1.394 124.155 122.820 -0.098 0.000 1.933 38 A HA 0.186 4.506 4.320 -0.000 0.000 0.218 38 A C 2.632 180.160 177.584 -0.093 0.000 1.175 38 A CA 1.773 53.758 52.037 -0.087 0.000 0.628 38 A CB -1.056 17.885 19.000 -0.099 0.000 0.814 38 A HN 0.501 nan 8.150 nan 0.000 0.444 39 A N -0.053 122.694 122.820 -0.123 0.000 1.902 39 A HA 0.159 4.479 4.320 -0.000 0.000 0.217 39 A C 2.505 180.046 177.584 -0.071 0.000 1.181 39 A CA 2.060 54.024 52.037 -0.122 0.000 0.623 39 A CB -1.033 17.873 19.000 -0.155 0.000 0.818 39 A HN 1.070 nan 8.150 nan 0.000 0.443 40 A N -0.414 122.373 122.820 -0.055 0.000 1.933 40 A HA -0.182 4.138 4.320 -0.000 0.000 0.218 40 A C 2.112 179.695 177.584 -0.001 0.000 1.175 40 A CA 1.980 54.009 52.037 -0.014 0.000 0.628 40 A CB -0.447 18.553 19.000 0.001 0.000 0.814 40 A HN 0.536 nan 8.150 nan 0.000 0.444 41 K N -0.198 120.193 120.400 -0.015 0.000 2.209 41 K HA -0.095 4.224 4.320 -0.000 0.000 0.204 41 K C 1.435 178.038 176.600 0.004 0.000 1.048 41 K CA 1.628 57.912 56.287 -0.005 0.000 0.940 41 K CB -0.134 32.357 32.500 -0.016 0.000 0.729 41 K HN 0.511 nan 8.250 nan 0.000 0.451 42 V N -3.953 115.957 119.914 -0.006 0.000 3.578 42 V HA 0.332 4.452 4.120 -0.000 0.000 0.290 42 V C 1.657 177.789 176.094 0.063 0.000 1.376 42 V CA 0.554 62.861 62.300 0.012 0.000 1.083 42 V CB 0.269 32.070 31.823 -0.037 0.000 0.911 42 V HN 0.147 nan 8.190 nan 0.000 0.433 43 A N 1.552 124.408 122.820 0.060 0.000 1.883 43 A HA -0.224 4.096 4.320 -0.000 0.000 0.217 43 A C 2.414 180.084 177.584 0.143 0.000 1.186 43 A CA 2.383 54.488 52.037 0.113 0.000 0.624 43 A CB -0.626 18.419 19.000 0.076 0.000 0.822 43 A HN 0.577 nan 8.150 nan 0.000 0.444 44 R N -0.533 120.028 120.500 0.102 0.000 2.073 44 R HA -0.166 4.174 4.340 -0.000 0.000 0.234 44 R C 1.560 177.923 176.300 0.105 0.000 1.134 44 R CA 1.882 58.039 56.100 0.095 0.000 0.952 44 R CB -0.363 29.980 30.300 0.072 0.000 0.850 44 R HN 0.477 nan 8.270 nan 0.000 0.433 45 D N -0.123 120.343 120.400 0.110 0.000 2.117 45 D HA -0.182 4.457 4.640 -0.000 0.000 0.197 45 D C 1.603 178.004 176.300 0.169 0.000 0.987 45 D CA 0.953 55.022 54.000 0.115 0.000 0.829 45 D CB -0.315 40.545 40.800 0.101 0.000 0.961 45 D HN 0.176 nan 8.370 nan 0.000 0.460 46 F N 2.296 122.258 119.950 0.020 0.000 2.134 46 F HA -0.145 4.381 4.527 -0.001 0.000 0.299 46 F C 2.285 178.101 175.800 0.027 0.000 1.097 46 F CA 1.369 59.378 58.000 0.014 0.000 1.264 46 F CB -0.153 38.845 39.000 -0.003 0.000 1.001 46 F HN -0.076 nan 8.300 nan 0.000 0.479 47 R N -0.050 120.445 120.500 -0.008 0.000 2.236 47 R HA 0.017 4.357 4.340 -0.000 0.000 0.208 47 R C 1.817 178.109 176.300 -0.014 0.000 1.036 47 R CA 1.084 57.132 56.100 -0.086 0.000 1.001 47 R CB -0.543 29.776 30.300 0.031 0.000 0.896 47 R HN 0.193 nan 8.270 nan 0.000 0.464 48 R N 0.709 121.225 120.500 0.027 0.000 2.297 48 R HA 0.245 4.584 4.340 -0.000 0.000 0.197 48 R C 0.198 176.519 176.300 0.034 0.000 0.943 48 R CA -0.174 55.954 56.100 0.047 0.000 1.038 48 R CB 0.023 30.357 30.300 0.057 0.000 0.957 48 R HN 0.148 nan 8.270 nan 0.000 0.484 49 L N 1.906 123.132 121.223 0.005 0.000 2.483 49 L HA -0.033 4.307 4.340 -0.000 0.000 0.275 49 L C 0.500 177.381 176.870 0.019 0.000 1.220 49 L CA -0.077 54.770 54.840 0.011 0.000 0.833 49 L CB 0.107 42.159 42.059 -0.013 0.000 1.102 49 L HN 0.145 nan 8.230 nan 0.000 0.490 50 N N 1.733 120.453 118.700 0.032 0.000 2.441 50 N HA -0.033 4.706 4.740 -0.000 0.000 0.251 50 N C 0.713 176.254 175.510 0.052 0.000 1.242 50 N CA 0.174 53.253 53.050 0.048 0.000 0.898 50 N CB 0.313 38.824 38.487 0.040 0.000 1.100 50 N HN 0.541 nan 8.380 nan 0.000 0.443 51 N N 0.233 118.991 118.700 0.096 0.000 2.104 51 N HA -0.204 4.535 4.740 -0.000 0.000 0.190 51 N C 1.647 177.192 175.510 0.057 0.000 1.024 51 N CA 1.487 54.602 53.050 0.107 0.000 0.853 51 N CB 0.009 38.612 38.487 0.193 0.000 1.008 51 N HN 0.580 nan 8.380 nan 0.000 0.424 52 S N 0.972 116.706 115.700 0.056 0.000 2.382 52 S HA -0.156 4.313 4.470 -0.000 0.000 0.228 52 S C 1.852 176.470 174.600 0.030 0.000 1.027 52 S CA 1.075 59.300 58.200 0.041 0.000 0.991 52 S CB -0.159 63.064 63.200 0.038 0.000 0.823 52 S HN 0.143 nan 8.310 nan 0.000 0.469 53 K N 1.658 122.076 120.400 0.028 0.000 2.031 53 K HA 0.124 4.444 4.320 -0.000 0.000 0.205 53 K C 2.397 179.013 176.600 0.027 0.000 1.049 53 K CA 1.265 57.570 56.287 0.030 0.000 0.939 53 K CB -0.461 32.060 32.500 0.036 0.000 0.717 53 K HN 0.396 nan 8.250 nan 0.000 0.438 54 R N -0.492 120.005 120.500 -0.006 0.000 2.115 54 R HA 0.029 4.369 4.340 -0.000 0.000 0.230 54 R C 2.019 178.312 176.300 -0.012 0.000 1.111 54 R CA 1.167 57.247 56.100 -0.033 0.000 0.976 54 R CB -0.281 29.904 30.300 -0.191 0.000 0.870 54 R HN 0.295 nan 8.270 nan 0.000 0.445 55 A N -0.408 122.408 122.820 -0.006 0.000 1.898 55 A HA -0.168 4.152 4.320 -0.000 0.000 0.216 55 A C 2.088 179.683 177.584 0.018 0.000 1.181 55 A CA 1.834 53.876 52.037 0.008 0.000 0.620 55 A CB -0.756 18.257 19.000 0.022 0.000 0.819 55 A HN 0.403 nan 8.150 nan 0.000 0.442 56 S N -0.583 115.130 115.700 0.021 0.000 2.368 56 S HA -0.169 4.300 4.470 -0.000 0.000 0.225 56 S C 1.968 176.581 174.600 0.021 0.000 1.030 56 S CA 1.596 59.809 58.200 0.021 0.000 0.999 56 S CB -0.514 62.700 63.200 0.024 0.000 0.844 56 S HN 0.558 nan 8.310 nan 0.000 0.459 57 L N 1.776 123.019 121.223 0.033 0.000 2.012 57 L HA -0.032 4.307 4.340 -0.000 0.000 0.210 57 L C 2.147 179.026 176.870 0.015 0.000 1.073 57 L CA 1.835 56.697 54.840 0.036 0.000 0.748 57 L CB -0.791 41.320 42.059 0.086 0.000 0.891 57 L HN 0.420 nan 8.230 nan 0.000 0.431 58 L N -0.813 120.422 121.223 0.019 0.000 2.042 58 L HA -0.215 4.125 4.340 -0.000 0.000 0.210 58 L C 2.807 179.677 176.870 -0.000 0.000 1.076 58 L CA 1.530 56.374 54.840 0.007 0.000 0.749 58 L CB -0.561 41.512 42.059 0.024 0.000 0.893 58 L HN 0.274 nan 8.230 nan 0.000 0.432 59 R N -0.840 119.663 120.500 0.005 0.000 2.092 59 R HA -0.095 4.245 4.340 -0.000 0.000 0.231 59 R C 2.255 178.551 176.300 -0.007 0.000 1.119 59 R CA 1.678 57.779 56.100 0.001 0.000 0.970 59 R CB -0.596 29.708 30.300 0.006 0.000 0.864 59 R HN 0.330 nan 8.270 nan 0.000 0.440 60 T N 1.515 116.065 114.554 -0.007 0.000 2.821 60 T HA -0.053 4.297 4.350 -0.000 0.000 0.267 60 T C 1.911 176.594 174.700 -0.028 0.000 1.046 60 T CA 0.986 63.078 62.100 -0.013 0.000 1.139 60 T CB -0.089 68.774 68.868 -0.008 0.000 0.871 60 T HN 0.142 nan 8.240 nan 0.000 0.454 61 I N 1.283 121.829 120.570 -0.041 0.000 2.226 61 I HA -0.191 3.979 4.170 -0.000 0.000 0.245 61 I C 2.892 178.975 176.117 -0.058 0.000 1.100 61 I CA 1.077 62.334 61.300 -0.070 0.000 1.374 61 I CB -0.441 37.498 38.000 -0.101 0.000 1.057 61 I HN 0.197 nan 8.210 nan 0.000 0.413 62 A N 0.004 122.801 122.820 -0.039 0.000 1.902 62 A HA -0.200 4.120 4.320 -0.000 0.000 0.217 62 A C 2.480 180.050 177.584 -0.024 0.000 1.181 62 A CA 2.232 54.251 52.037 -0.029 0.000 0.623 62 A CB -0.694 18.296 19.000 -0.017 0.000 0.818 62 A HN 0.388 nan 8.150 nan 0.000 0.443 63 S N -0.334 115.354 115.700 -0.020 0.000 2.368 63 S HA -0.113 4.357 4.470 -0.000 0.000 0.224 63 S C 1.909 176.498 174.600 -0.019 0.000 1.029 63 S CA 1.217 59.408 58.200 -0.016 0.000 0.988 63 S CB -0.267 62.926 63.200 -0.011 0.000 0.838 63 S HN 0.567 nan 8.310 nan 0.000 0.462 64 E N 1.364 121.548 120.200 -0.027 0.000 2.110 64 E HA -0.044 4.305 4.350 -0.000 0.000 0.193 64 E C 2.086 178.668 176.600 -0.029 0.000 0.988 64 E CA 0.624 57.006 56.400 -0.029 0.000 0.804 64 E CB -0.441 29.235 29.700 -0.040 0.000 0.745 64 E HN 0.459 nan 8.360 nan 0.000 0.458 65 L N 0.658 121.859 121.223 -0.036 0.000 2.017 65 L HA -0.192 4.147 4.340 -0.000 0.000 0.208 65 L C 2.393 179.252 176.870 -0.019 0.000 1.073 65 L CA 1.305 56.125 54.840 -0.032 0.000 0.745 65 L CB -0.372 41.664 42.059 -0.038 0.000 0.894 65 L HN 0.105 nan 8.230 nan 0.000 0.432 66 E N -0.003 120.188 120.200 -0.016 0.000 2.118 66 E HA -0.236 4.113 4.350 -0.000 0.000 0.195 66 E C 2.206 178.801 176.600 -0.008 0.000 0.992 66 E CA 1.162 57.557 56.400 -0.010 0.000 0.804 66 E CB -0.163 29.533 29.700 -0.008 0.000 0.741 66 E HN 0.504 nan 8.360 nan 0.000 0.458 67 A N 0.832 123.646 122.820 -0.009 0.000 2.067 67 A HA -0.094 4.226 4.320 -0.000 0.000 0.219 67 A C 1.752 179.333 177.584 -0.004 0.000 1.158 67 A CA 0.924 52.958 52.037 -0.007 0.000 0.661 67 A CB 0.041 19.036 19.000 -0.008 0.000 0.801 67 A HN -0.010 nan 8.150 nan 0.000 0.452 68 R N -0.066 120.431 120.500 -0.005 0.000 2.468 68 R HA 0.087 4.426 4.340 -0.000 0.000 0.280 68 R C 1.838 178.139 176.300 0.002 0.000 0.963 68 R CA 0.812 56.911 56.100 -0.000 0.000 1.083 68 R CB -0.543 29.757 30.300 0.000 0.000 1.200 68 R HN 0.706 nan 8.270 nan 0.000 0.541 69 S N 0.802 116.501 115.700 -0.001 0.000 2.380 69 S HA -0.210 4.260 4.470 -0.000 0.000 0.229 69 S C 1.270 175.872 174.600 0.003 0.000 1.043 69 S CA 1.628 59.828 58.200 -0.000 0.000 1.038 69 S CB -0.065 63.134 63.200 -0.002 0.000 0.872 69 S HN 0.146 nan 8.310 nan 0.000 0.456 70 D N 2.067 122.468 120.400 0.003 0.000 2.104 70 D HA -0.082 4.558 4.640 -0.000 0.000 0.194 70 D C 1.736 178.044 176.300 0.013 0.000 0.994 70 D CA 1.564 55.566 54.000 0.004 0.000 0.830 70 D CB -0.635 40.167 40.800 0.002 0.000 0.959 70 D HN 0.475 nan 8.370 nan 0.000 0.452 71 D N 0.207 120.617 120.400 0.016 0.000 2.117 71 D HA -0.064 4.576 4.640 -0.000 0.000 0.198 71 D C 2.379 178.700 176.300 0.035 0.000 0.982 71 D CA 0.330 54.347 54.000 0.027 0.000 0.828 71 D CB -0.213 40.603 40.800 0.027 0.000 0.967 71 D HN 0.276 nan 8.370 nan 0.000 0.464 72 I N 0.890 121.476 120.570 0.026 0.000 2.142 72 I HA -0.245 3.924 4.170 -0.000 0.000 0.240 72 I C 2.479 178.615 176.117 0.031 0.000 1.078 72 I CA 0.876 62.191 61.300 0.025 0.000 1.343 72 I CB -0.218 37.788 38.000 0.010 0.000 1.046 72 I HN -0.057 nan 8.210 nan 0.000 0.405 73 I N 0.838 121.423 120.570 0.025 0.000 2.163 73 I HA -0.306 3.864 4.170 -0.000 0.000 0.243 73 I C 2.846 179.002 176.117 0.066 0.000 1.085 73 I CA 1.456 62.774 61.300 0.030 0.000 1.347 73 I CB -0.568 37.435 38.000 0.004 0.000 1.044 73 I HN 0.202 nan 8.210 nan 0.000 0.408 74 A N 0.727 123.582 122.820 0.058 0.000 1.908 74 A HA -0.270 4.050 4.320 -0.000 0.000 0.218 74 A C 2.353 180.014 177.584 0.127 0.000 1.181 74 A CA 2.156 54.245 52.037 0.087 0.000 0.627 74 A CB -0.544 18.491 19.000 0.058 0.000 0.818 74 A HN 0.309 nan 8.150 nan 0.000 0.445 75 R N -0.180 120.379 120.500 0.099 0.000 2.062 75 R HA 0.103 4.443 4.340 -0.000 0.000 0.229 75 R C 2.214 178.574 176.300 0.101 0.000 1.128 75 R CA 1.756 57.918 56.100 0.104 0.000 0.960 75 R CB -0.857 29.500 30.300 0.095 0.000 0.855 75 R HN 0.360 nan 8.270 nan 0.000 0.432 76 A N -0.351 122.516 122.820 0.079 0.000 1.940 76 A HA -0.233 4.086 4.320 -0.000 0.000 0.219 76 A C 2.065 179.696 177.584 0.078 0.000 1.176 76 A CA 1.990 54.054 52.037 0.045 0.000 0.631 76 A CB -0.973 18.026 19.000 -0.001 0.000 0.814 76 A HN 0.656 nan 8.150 nan 0.000 0.446 77 H N -0.022 119.074 119.070 0.043 0.000 2.353 77 H HA -0.017 4.538 4.556 -0.000 0.000 0.300 77 H C 1.664 177.099 175.328 0.178 0.000 1.090 77 H CA 2.053 58.159 56.048 0.097 0.000 1.327 77 H CB -0.255 29.574 29.762 0.111 0.000 1.383 77 H HN 0.380 nan 8.280 nan 0.000 0.508 78 L N -0.147 121.129 121.223 0.088 0.000 2.156 78 L HA -0.051 4.288 4.340 -0.000 0.000 0.208 78 L C 2.224 179.102 176.870 0.013 0.000 1.095 78 L CA 1.243 56.133 54.840 0.085 0.000 0.770 78 L CB -0.274 41.865 42.059 0.133 0.000 0.914 78 L HN 0.399 nan 8.230 nan 0.000 0.439 79 E N -0.562 119.648 120.200 0.016 0.000 2.216 79 E HA -0.126 4.223 4.350 -0.000 0.000 0.192 79 E C 1.852 178.417 176.600 -0.058 0.000 0.988 79 E CA 1.632 58.036 56.400 0.008 0.000 0.834 79 E CB 0.150 29.884 29.700 0.057 0.000 0.772 79 E HN 0.545 nan 8.360 nan 0.000 0.479 80 T N -3.884 110.600 114.554 -0.117 0.000 2.958 80 T HA 0.492 4.842 4.350 -0.000 0.000 0.256 80 T C 1.251 175.769 174.700 -0.304 0.000 0.983 80 T CA 0.398 62.398 62.100 -0.166 0.000 0.924 80 T CB 0.889 69.681 68.868 -0.127 0.000 1.136 80 T HN 0.124 nan 8.240 nan 0.000 0.506 81 A N 0.732 123.275 122.820 -0.462 0.000 3.172 81 A HA -0.103 4.217 4.320 -0.000 0.000 0.263 81 A C 0.286 177.741 177.584 -0.214 0.000 1.215 81 A CA 0.880 52.454 52.037 -0.772 0.000 1.065 81 A CB -2.668 15.682 19.000 -1.084 0.000 1.148 81 A HN 0.628 nan 8.150 nan 0.000 0.904 82 L N 1.559 122.735 121.223 -0.078 0.000 2.416 82 L HA 0.320 4.659 4.340 -0.000 0.000 0.272 82 L C -1.423 175.586 176.870 0.232 0.000 1.161 82 L CA -1.743 53.109 54.840 0.019 0.000 0.845 82 L CB 0.366 42.388 42.059 -0.062 0.000 1.119 82 L HN 0.210 nan 8.230 nan 0.000 0.464 83 P HA -0.016 nan 4.420 nan 0.000 0.267 83 P C -0.034 177.296 177.300 0.050 0.000 1.200 83 P CA -0.037 63.160 63.100 0.162 0.000 0.772 83 P CB 0.693 32.441 31.700 0.081 0.000 0.855 84 E N 1.039 121.171 120.200 -0.112 0.000 2.118 84 E HA -0.143 4.206 4.350 -0.000 0.000 0.195 84 E C 1.738 178.308 176.600 -0.051 0.000 0.992 84 E CA 0.908 57.232 56.400 -0.127 0.000 0.804 84 E CB -0.359 29.208 29.700 -0.222 0.000 0.741 84 E HN 0.204 nan 8.360 nan 0.000 0.458 85 V N 1.566 121.457 119.914 -0.038 0.000 2.427 85 V HA -0.250 3.870 4.120 -0.000 0.000 0.248 85 V C 2.466 178.562 176.094 0.004 0.000 1.051 85 V CA 2.103 64.394 62.300 -0.015 0.000 1.048 85 V CB -0.215 31.602 31.823 -0.010 0.000 0.666 85 V HN 0.142 nan 8.190 nan 0.000 0.456 86 R N 0.254 120.760 120.500 0.009 0.000 2.075 86 R HA -0.038 4.301 4.340 -0.000 0.000 0.232 86 R C 1.950 178.250 176.300 -0.000 0.000 1.126 86 R CA 2.028 58.136 56.100 0.014 0.000 0.963 86 R CB -0.972 29.331 30.300 0.005 0.000 0.858 86 R HN 0.509 nan 8.270 nan 0.000 0.435 87 L N 0.007 121.227 121.223 -0.006 0.000 2.093 87 L HA -0.073 4.266 4.340 -0.000 0.000 0.208 87 L C 2.118 178.988 176.870 0.001 0.000 1.085 87 L CA 1.741 56.574 54.840 -0.010 0.000 0.755 87 L CB -0.583 41.476 42.059 0.001 0.000 0.904 87 L HN 0.271 nan 8.230 nan 0.000 0.435 88 T N -0.409 114.146 114.554 0.000 0.000 2.746 88 T HA -0.124 4.226 4.350 -0.000 0.000 0.267 88 T C 1.822 176.531 174.700 0.016 0.000 1.039 88 T CA 1.382 63.484 62.100 0.003 0.000 1.142 88 T CB -0.449 68.417 68.868 -0.003 0.000 0.866 88 T HN 0.556 nan 8.240 nan 0.000 0.444 89 G N 0.569 109.385 108.800 0.026 0.000 2.421 89 G HA2 -0.141 3.818 3.960 -0.000 0.000 0.217 89 G HA3 -0.141 3.818 3.960 -0.000 0.000 0.217 89 G C 1.380 176.316 174.900 0.060 0.000 1.143 89 G CA 0.528 45.656 45.100 0.045 0.000 0.784 89 G HN 0.512 nan 8.290 nan 0.000 0.541 90 E N -0.130 120.104 120.200 0.058 0.000 2.152 90 E HA 0.004 4.354 4.350 -0.000 0.000 0.192 90 E C 2.409 179.044 176.600 0.057 0.000 0.983 90 E CA 0.213 56.663 56.400 0.084 0.000 0.818 90 E CB -0.095 29.646 29.700 0.068 0.000 0.758 90 E HN 0.487 nan 8.360 nan 0.000 0.467 91 I N 0.694 121.282 120.570 0.030 0.000 2.252 91 I HA -0.241 3.928 4.170 -0.000 0.000 0.245 91 I C 2.494 178.620 176.117 0.015 0.000 1.102 91 I CA 0.910 62.219 61.300 0.016 0.000 1.385 91 I CB -0.280 37.723 38.000 0.006 0.000 1.064 91 I HN 0.148 nan 8.210 nan 0.000 0.414 92 A N 0.793 123.625 122.820 0.020 0.000 1.902 92 A HA -0.240 4.080 4.320 -0.000 0.000 0.217 92 A C 2.449 180.044 177.584 0.018 0.000 1.181 92 A CA 1.632 53.679 52.037 0.017 0.000 0.623 92 A CB -0.627 18.386 19.000 0.021 0.000 0.818 92 A HN 0.345 nan 8.150 nan 0.000 0.443 93 R N -0.675 119.845 120.500 0.034 0.000 2.073 93 R HA -0.133 4.206 4.340 -0.000 0.000 0.234 93 R C 2.120 178.424 176.300 0.007 0.000 1.134 93 R CA 2.146 58.265 56.100 0.031 0.000 0.952 93 R CB -0.692 29.652 30.300 0.074 0.000 0.850 93 R HN 0.482 nan 8.270 nan 0.000 0.433 94 T N 0.754 115.317 114.554 0.014 0.000 2.684 94 T HA -0.131 4.219 4.350 -0.000 0.000 0.267 94 T C 1.856 176.549 174.700 -0.011 0.000 1.036 94 T CA 1.493 63.591 62.100 -0.005 0.000 1.148 94 T CB -0.349 68.519 68.868 0.001 0.000 0.863 94 T HN 0.482 nan 8.240 nan 0.000 0.436 95 A N 2.464 125.279 122.820 -0.009 0.000 1.877 95 A HA -0.138 4.182 4.320 -0.000 0.000 0.216 95 A C 2.250 179.826 177.584 -0.013 0.000 1.186 95 A CA 1.446 53.475 52.037 -0.012 0.000 0.620 95 A CB -0.608 18.386 19.000 -0.010 0.000 0.822 95 A HN 0.391 nan 8.150 nan 0.000 0.443 96 N N -0.538 118.152 118.700 -0.016 0.000 2.309 96 N HA -0.153 4.587 4.740 -0.000 0.000 0.182 96 N C 1.834 177.311 175.510 -0.056 0.000 1.018 96 N CA 1.392 54.424 53.050 -0.030 0.000 0.876 96 N CB -0.337 38.135 38.487 -0.026 0.000 0.972 96 N HN 0.799 nan 8.380 nan 0.000 0.434 97 Q N 0.745 120.518 119.800 -0.046 0.000 2.046 97 Q HA -0.002 4.338 4.340 -0.000 0.000 0.200 97 Q C 2.037 178.053 176.000 0.027 0.000 0.975 97 Q CA 0.892 56.662 55.803 -0.055 0.000 0.836 97 Q CB -0.037 28.688 28.738 -0.022 0.000 0.896 97 Q HN 0.266 nan 8.270 nan 0.000 0.428 98 L N 0.100 121.356 121.223 0.055 0.000 2.046 98 L HA -0.190 4.150 4.340 -0.000 0.000 0.208 98 L C 2.622 179.528 176.870 0.060 0.000 1.077 98 L CA 1.441 56.336 54.840 0.092 0.000 0.747 98 L CB -0.235 41.838 42.059 0.023 0.000 0.896 98 L HN 0.168 nan 8.230 nan 0.000 0.432 99 R N -0.690 119.811 120.500 0.001 0.000 2.115 99 R HA -0.155 4.184 4.340 -0.000 0.000 0.230 99 R C 2.140 178.406 176.300 -0.056 0.000 1.111 99 R CA 0.983 57.074 56.100 -0.016 0.000 0.976 99 R CB -0.375 29.913 30.300 -0.020 0.000 0.870 99 R HN 0.187 nan 8.270 nan 0.000 0.445 100 L N -0.046 121.089 121.223 -0.146 0.000 2.017 100 L HA -0.106 4.234 4.340 -0.000 0.000 0.208 100 L C 1.609 178.280 176.870 -0.331 0.000 1.073 100 L CA 1.796 56.454 54.840 -0.304 0.000 0.745 100 L CB -0.430 41.309 42.059 -0.534 0.000 0.894 100 L HN -0.009 nan 8.230 nan 0.000 0.432 101 F N 0.087 119.973 119.950 -0.106 0.000 2.293 101 F HA -0.052 4.475 4.527 -0.000 0.000 0.300 101 F C 2.484 178.234 175.800 -0.083 0.000 1.086 101 F CA 0.974 58.910 58.000 -0.106 0.000 1.375 101 F CB -1.211 37.721 39.000 -0.115 0.000 1.045 101 F HN 0.221 nan 8.300 nan 0.000 0.516 102 A N -0.039 122.829 122.820 0.079 0.000 1.902 102 A HA -0.174 4.146 4.320 -0.000 0.000 0.217 102 A C 2.036 179.642 177.584 0.037 0.000 1.181 102 A CA 1.959 54.022 52.037 0.043 0.000 0.623 102 A CB -0.693 18.323 19.000 0.028 0.000 0.818 102 A HN 0.240 nan 8.150 nan 0.000 0.443 103 D N -0.196 120.219 120.400 0.025 0.000 2.117 103 D HA -0.095 4.545 4.640 -0.000 0.000 0.198 103 D C 2.131 178.481 176.300 0.083 0.000 0.982 103 D CA 1.417 55.447 54.000 0.050 0.000 0.828 103 D CB -0.505 40.331 40.800 0.059 0.000 0.967 103 D HN 0.214 nan 8.370 nan 0.000 0.464 104 V N 0.971 120.927 119.914 0.070 0.000 2.255 104 V HA -0.229 3.891 4.120 -0.000 0.000 0.247 104 V C 2.727 178.910 176.094 0.148 0.000 1.051 104 V CA 1.208 63.580 62.300 0.120 0.000 1.018 104 V CB -0.581 31.298 31.823 0.092 0.000 0.641 104 V HN 0.048 nan 8.190 nan 0.000 0.445 105 V N 0.373 120.325 119.914 0.063 0.000 2.287 105 V HA -0.292 3.828 4.120 -0.000 0.000 0.248 105 V C 2.313 178.501 176.094 0.157 0.000 1.053 105 V CA 2.509 64.821 62.300 0.019 0.000 1.027 105 V CB -1.036 30.714 31.823 -0.122 0.000 0.646 105 V HN 0.603 nan 8.190 nan 0.000 0.447 106 N N 0.624 119.386 118.700 0.103 0.000 2.149 106 N HA -0.174 4.566 4.740 -0.000 0.000 0.188 106 N C 1.985 177.567 175.510 0.120 0.000 1.019 106 N CA 1.696 54.806 53.050 0.101 0.000 0.857 106 N CB -0.241 38.287 38.487 0.068 0.000 0.997 106 N HN 0.599 nan 8.380 nan 0.000 0.426 107 S N -1.415 114.363 115.700 0.130 0.000 2.453 107 S HA 0.068 4.538 4.470 -0.000 0.000 0.231 107 S C 1.645 176.329 174.600 0.140 0.000 1.005 107 S CA 0.998 59.269 58.200 0.119 0.000 0.949 107 S CB -0.561 62.709 63.200 0.116 0.000 0.774 107 S HN 0.522 nan 8.310 nan 0.000 0.510 108 G N 1.006 109.925 108.800 0.200 0.000 2.155 108 G HA2 -0.357 3.602 3.960 -0.000 0.000 0.257 108 G HA3 -0.357 3.602 3.960 -0.000 0.000 0.257 108 G C 1.050 175.985 174.900 0.059 0.000 0.983 108 G CA 1.080 46.282 45.100 0.170 0.000 0.676 108 G HN 1.298 nan 8.290 nan 0.000 0.528 109 S N -0.139 115.634 115.700 0.122 0.000 2.383 109 S HA -0.161 4.309 4.470 -0.000 0.000 0.227 109 S C 2.112 176.781 174.600 0.115 0.000 1.026 109 S CA 1.927 60.198 58.200 0.119 0.000 0.981 109 S CB -0.702 62.595 63.200 0.163 0.000 0.818 109 S HN 1.556 nan 8.310 nan 0.000 0.472 110 Y N 1.523 121.860 120.300 0.062 0.000 2.384 110 Y HA -0.091 4.459 4.550 -0.001 0.000 0.289 110 Y C 2.190 178.144 175.900 0.090 0.000 1.152 110 Y CA 1.278 59.419 58.100 0.069 0.000 1.258 110 Y CB -1.231 37.165 38.460 -0.108 0.000 0.979 110 Y HN 0.290 nan 8.280 nan 0.000 0.549 111 H N 0.820 119.513 119.070 -0.630 0.000 2.421 111 H HA -0.185 4.371 4.556 -0.001 0.000 0.298 111 H C 1.094 176.361 175.328 -0.102 0.000 1.087 111 H CA 1.673 57.462 56.048 -0.432 0.000 1.330 111 H CB -0.369 29.146 29.762 -0.411 0.000 1.388 111 H HN 0.607 nan 8.280 nan 0.000 0.526 112 Q N -0.265 119.582 119.800 0.078 0.000 2.468 112 Q HA -0.172 4.168 4.340 -0.000 0.000 0.289 112 Q C -0.559 175.474 176.000 0.054 0.000 1.299 112 Q CA 0.048 55.895 55.803 0.073 0.000 0.838 112 Q CB -1.060 27.722 28.738 0.074 0.000 1.195 112 Q HN 0.486 nan 8.270 nan 0.000 0.456 113 A N 1.137 123.981 122.820 0.039 0.000 2.548 113 A HA 0.417 4.737 4.320 -0.000 0.000 0.247 113 A C 0.156 177.748 177.584 0.014 0.000 1.067 113 A CA 0.459 52.502 52.037 0.011 0.000 0.757 113 A CB 0.201 19.181 19.000 -0.034 0.000 0.996 113 A HN 0.458 nan 8.150 nan 0.000 0.504 114 I N 3.398 123.982 120.570 0.022 0.000 2.533 114 I HA 0.350 4.520 4.170 -0.000 0.000 0.290 114 I C -0.838 175.292 176.117 0.022 0.000 1.056 114 I CA -0.593 60.719 61.300 0.021 0.000 1.057 114 I CB 1.817 39.834 38.000 0.028 0.000 1.240 114 I HN 0.378 nan 8.210 nan 0.000 0.423 115 L N 4.610 125.841 121.223 0.013 0.000 2.386 115 L HA 0.515 4.855 4.340 -0.000 0.000 0.271 115 L C -1.061 175.816 176.870 0.013 0.000 0.993 115 L CA -0.552 54.296 54.840 0.013 0.000 0.819 115 L CB 2.087 44.147 42.059 0.001 0.000 1.294 115 L HN 0.493 nan 8.230 nan 0.000 0.414 116 D N 1.580 121.990 120.400 0.017 0.000 2.349 116 D HA 0.234 4.874 4.640 -0.000 0.000 0.232 116 D C -0.071 176.236 176.300 0.011 0.000 1.071 116 D CA -0.149 53.859 54.000 0.014 0.000 0.832 116 D CB 1.996 42.806 40.800 0.017 0.000 1.086 116 D HN 0.372 nan 8.370 nan 0.000 0.504 117 T N 4.758 119.316 114.554 0.007 0.000 2.853 117 T HA 0.189 4.539 4.350 -0.000 0.000 0.298 117 T C -1.899 172.804 174.700 0.006 0.000 0.978 117 T CA -0.861 61.242 62.100 0.005 0.000 1.152 117 T CB 0.817 69.686 68.868 0.003 0.000 0.914 117 T HN 0.237 nan 8.240 nan 0.000 0.539 118 P HA 0.208 nan 4.420 nan 0.000 0.272 118 P C -0.495 176.808 177.300 0.005 0.000 1.240 118 P CA -0.512 62.593 63.100 0.007 0.000 0.791 118 P CB 0.598 32.302 31.700 0.008 0.000 0.978 119 N N 1.226 119.929 118.700 0.005 0.000 2.732 119 N HA 0.161 4.901 4.740 -0.000 0.000 0.247 119 N C -1.999 173.514 175.510 0.004 0.000 1.305 119 N CA -2.052 51.001 53.050 0.004 0.000 0.762 119 N CB 0.575 39.065 38.487 0.004 0.000 1.361 119 N HN 0.087 nan 8.380 nan 0.000 0.545 120 P HA -0.063 nan 4.420 nan 0.000 0.225 120 P C 0.539 177.841 177.300 0.003 0.000 1.148 120 P CA 1.111 64.213 63.100 0.004 0.000 0.779 120 P CB 0.070 31.773 31.700 0.004 0.000 0.780 121 T N -3.890 110.665 114.554 0.003 0.000 3.223 121 T HA 0.195 4.545 4.350 -0.000 0.000 0.259 121 T C 0.662 175.363 174.700 0.002 0.000 1.015 121 T CA -0.591 61.510 62.100 0.002 0.000 0.908 121 T CB -0.292 68.577 68.868 0.002 0.000 1.054 121 T HN -0.016 nan 8.240 nan 0.000 0.567 122 R N 1.178 121.679 120.500 0.003 0.000 2.390 122 R HA 0.640 4.980 4.340 -0.000 0.000 0.291 122 R C -0.527 175.774 176.300 0.002 0.000 1.070 122 R CA -0.269 55.833 56.100 0.003 0.000 1.014 122 R CB 0.539 30.841 30.300 0.003 0.000 1.007 122 R HN 0.404 nan 8.270 nan 0.000 0.466 123 A N 5.041 127.862 122.820 0.002 0.000 2.340 123 A HA 0.480 4.799 4.320 -0.000 0.000 0.331 123 A C -1.849 175.736 177.584 0.002 0.000 1.140 123 A CA -1.484 50.555 52.037 0.002 0.000 0.801 123 A CB 1.169 20.170 19.000 0.002 0.000 1.234 123 A HN 0.752 nan 8.150 nan 0.000 0.469 124 P HA 0.080 nan 4.420 nan 0.000 0.215 124 P C -0.253 177.048 177.300 0.002 0.000 1.157 124 P CA 0.846 63.947 63.100 0.002 0.000 0.859 124 P CB 0.060 31.762 31.700 0.002 0.000 0.786 125 L N 0.913 122.138 121.223 0.003 0.000 2.325 125 L HA 0.426 4.765 4.340 -0.000 0.000 0.278 125 L C -2.316 174.556 176.870 0.004 0.000 1.023 125 L CA -2.594 52.248 54.840 0.003 0.000 0.811 125 L CB 1.656 43.717 42.059 0.003 0.000 1.249 125 L HN -0.135 nan 8.230 nan 0.000 0.431 126 P HA 0.035 nan 4.420 nan 0.000 0.272 126 P C -1.268 176.035 177.300 0.005 0.000 1.223 126 P CA -0.505 62.598 63.100 0.004 0.000 0.784 126 P CB 0.995 32.698 31.700 0.005 0.000 0.923 127 K N 3.578 123.982 120.400 0.006 0.000 2.285 127 K HA 0.287 4.607 4.320 -0.000 0.000 0.286 127 K C -2.016 174.589 176.600 0.008 0.000 1.072 127 K CA -2.186 54.105 56.287 0.007 0.000 0.913 127 K CB 0.358 32.862 32.500 0.006 0.000 1.067 127 K HN 0.332 nan 8.250 nan 0.000 0.479 128 P HA 0.010 nan 4.420 nan 0.000 0.274 128 P C -0.921 176.389 177.300 0.016 0.000 1.246 128 P CA -0.296 62.812 63.100 0.013 0.000 0.795 128 P CB 0.682 32.390 31.700 0.014 0.000 1.006 129 D N 1.559 121.970 120.400 0.019 0.000 2.336 129 D HA 0.268 4.908 4.640 -0.000 0.000 0.249 129 D C -0.505 175.816 176.300 0.034 0.000 1.213 129 D CA -0.031 53.983 54.000 0.022 0.000 0.870 129 D CB -0.335 40.476 40.800 0.019 0.000 1.076 129 D HN 0.212 nan 8.370 nan 0.000 0.483 130 I N 4.225 124.816 120.570 0.036 0.000 2.498 130 I HA 0.427 4.597 4.170 -0.000 0.000 0.290 130 I C 0.116 176.269 176.117 0.061 0.000 1.032 130 I CA -0.844 60.487 61.300 0.052 0.000 1.073 130 I CB 1.758 39.782 38.000 0.039 0.000 1.251 130 I HN 0.111 nan 8.210 nan 0.000 0.426 131 R N 5.691 126.253 120.500 0.102 0.000 2.621 131 R HA 0.694 5.033 4.340 -0.000 0.000 0.284 131 R C -1.106 175.313 176.300 0.199 0.000 0.998 131 R CA -1.013 55.148 56.100 0.102 0.000 0.895 131 R CB 2.954 33.285 30.300 0.052 0.000 1.195 131 R HN 0.679 nan 8.270 nan 0.000 0.450 132 R N 1.063 121.653 120.500 0.150 0.000 2.795 132 R HA 0.480 4.820 4.340 -0.000 0.000 0.275 132 R C -1.206 175.186 176.300 0.155 0.000 0.981 132 R CA -1.007 55.212 56.100 0.197 0.000 0.917 132 R CB 2.155 32.524 30.300 0.115 0.000 1.202 132 R HN 0.784 nan 8.270 nan 0.000 0.469 133 Q N 0.766 120.692 119.800 0.209 0.000 2.565 133 Q HA 0.350 4.690 4.340 -0.000 0.000 0.294 133 Q C -1.279 174.834 176.000 0.188 0.000 1.005 133 Q CA -1.270 54.630 55.803 0.160 0.000 0.771 133 Q CB 1.927 30.734 28.738 0.115 0.000 1.486 133 Q HN 0.515 nan 8.270 nan 0.000 0.422 134 Q N 1.290 121.200 119.800 0.183 0.000 2.230 134 Q HA 0.610 4.949 4.340 -0.000 0.000 0.253 134 Q C -0.344 175.798 176.000 0.237 0.000 0.919 134 Q CA -0.426 55.497 55.803 0.200 0.000 0.908 134 Q CB 1.992 30.865 28.738 0.226 0.000 1.245 134 Q HN 0.726 nan 8.270 nan 0.000 0.437 135 I N -2.383 118.318 120.570 0.219 0.000 2.969 135 I HA 0.783 4.953 4.170 -0.000 0.000 0.307 135 I C -0.510 175.719 176.117 0.188 0.000 1.149 135 I CA -1.478 59.952 61.300 0.216 0.000 1.008 135 I CB 2.004 40.119 38.000 0.193 0.000 1.232 135 I HN 0.508 nan 8.210 nan 0.000 0.435 136 A N 3.986 126.904 122.820 0.163 0.000 2.511 136 A HA 0.312 4.632 4.320 -0.000 0.000 0.242 136 A C 0.928 178.600 177.584 0.147 0.000 1.069 136 A CA -0.193 51.933 52.037 0.147 0.000 0.763 136 A CB 0.131 19.192 19.000 0.102 0.000 1.001 136 A HN 0.897 nan 8.150 nan 0.000 0.498 137 L N 2.074 123.400 121.223 0.172 0.000 2.141 137 L HA 0.160 4.500 4.340 -0.000 0.000 0.209 137 L C 1.533 178.478 176.870 0.125 0.000 1.094 137 L CA 1.409 56.344 54.840 0.159 0.000 0.763 137 L CB -0.612 41.573 42.059 0.210 0.000 0.908 137 L HN 1.129 nan 8.230 nan 0.000 0.437 138 G N -1.867 107.004 108.800 0.117 0.000 2.293 138 G HA2 -0.061 3.899 3.960 -0.000 0.000 0.282 138 G HA3 -0.061 3.899 3.960 -0.000 0.000 0.282 138 G C -2.941 171.992 174.900 0.055 0.000 1.299 138 G CA -1.137 44.015 45.100 0.086 0.000 1.018 138 G HN -0.205 nan 8.290 nan 0.000 0.478 139 P HA 0.400 nan 4.420 nan 0.000 0.265 139 P C -0.255 177.016 177.300 -0.049 0.000 1.193 139 P CA -0.052 63.025 63.100 -0.038 0.000 0.765 139 P CB 1.063 32.729 31.700 -0.057 0.000 0.823 140 V N 3.026 122.860 119.914 -0.134 0.000 2.555 140 V HA 0.636 4.755 4.120 -0.000 0.000 0.302 140 V C 0.200 176.182 176.094 -0.187 0.000 1.038 140 V CA -0.845 61.344 62.300 -0.184 0.000 0.887 140 V CB 1.749 33.275 31.823 -0.495 0.000 0.991 140 V HN 0.588 nan 8.190 nan 0.000 0.434 141 A N 4.390 127.159 122.820 -0.085 0.000 2.301 141 A HA 0.823 5.143 4.320 -0.000 0.000 0.312 141 A C -0.705 176.853 177.584 -0.042 0.000 1.182 141 A CA -0.434 51.557 52.037 -0.078 0.000 0.826 141 A CB 1.107 20.139 19.000 0.052 0.000 1.134 141 A HN 0.700 nan 8.150 nan 0.000 0.501 142 V N 2.627 122.455 119.914 -0.145 0.000 2.531 142 V HA 0.448 4.568 4.120 -0.000 0.000 0.301 142 V C -1.317 174.705 176.094 -0.120 0.000 1.034 142 V CA -0.258 62.020 62.300 -0.037 0.000 0.865 142 V CB 1.336 33.118 31.823 -0.068 0.000 0.995 142 V HN 0.727 nan 8.190 nan 0.000 0.424 143 F N 2.811 122.801 119.950 0.067 0.000 2.388 143 F HA 0.694 5.221 4.527 -0.001 0.000 0.358 143 F C 1.017 176.815 175.800 -0.004 0.000 1.122 143 F CA -0.475 57.551 58.000 0.044 0.000 1.056 143 F CB 1.624 40.695 39.000 0.118 0.000 1.155 143 F HN 0.579 nan 8.300 nan 0.000 0.461 144 G N 1.346 110.254 108.800 0.180 0.000 2.572 144 G HA2 0.527 4.487 3.960 -0.000 0.000 0.261 144 G HA3 0.527 4.487 3.960 -0.000 0.000 0.261 144 G C -0.693 174.351 174.900 0.240 0.000 1.197 144 G CA -0.582 44.649 45.100 0.218 0.000 0.870 144 G HN 0.847 nan 8.290 nan 0.000 0.548 145 A N 0.021 122.976 122.820 0.226 0.000 2.327 145 A HA 0.520 4.840 4.320 -0.000 0.000 0.283 145 A C 1.549 179.200 177.584 0.111 0.000 1.127 145 A CA 0.336 52.455 52.037 0.136 0.000 0.810 145 A CB 0.856 19.909 19.000 0.088 0.000 1.066 145 A HN 1.332 nan 8.150 nan 0.000 0.492 146 S N 1.609 117.252 115.700 -0.094 0.000 2.395 146 S HA -0.147 4.323 4.470 -0.000 0.000 0.225 146 S C 1.280 175.816 174.600 -0.108 0.000 1.027 146 S CA 1.062 59.087 58.200 -0.291 0.000 0.965 146 S CB -0.440 62.479 63.200 -0.468 0.000 0.812 146 S HN 0.881 nan 8.310 nan 0.000 0.482 147 N N 0.770 119.441 118.700 -0.047 0.000 2.494 147 N HA 0.020 4.759 4.740 -0.000 0.000 0.182 147 N C -0.451 174.885 175.510 -0.289 0.000 1.076 147 N CA 0.317 53.333 53.050 -0.056 0.000 0.908 147 N CB -0.478 38.114 38.487 0.175 0.000 0.967 147 N HN 0.499 nan 8.380 nan 0.000 0.449 148 F N 1.002 120.850 119.950 -0.170 0.000 2.710 148 F HA 0.389 4.915 4.527 -0.000 0.000 0.345 148 F C -1.731 174.014 175.800 -0.092 0.000 1.362 148 F CA -2.100 55.826 58.000 -0.123 0.000 1.175 148 F CB 1.790 40.739 39.000 -0.084 0.000 1.561 148 F HN -0.150 nan 8.300 nan 0.000 0.593 149 P HA -0.150 nan 4.420 nan 0.000 0.224 149 P C 0.894 178.025 177.300 -0.281 0.000 1.142 149 P CA 1.546 64.296 63.100 -0.582 0.000 0.778 149 P CB 0.659 31.906 31.700 -0.755 0.000 0.764 150 L N -1.435 119.757 121.223 -0.051 0.000 2.675 150 L HA 0.294 4.634 4.340 -0.000 0.000 0.178 150 L C 2.611 179.533 176.870 0.087 0.000 1.135 150 L CA 0.797 55.644 54.840 0.011 0.000 0.855 150 L CB -1.172 40.889 42.059 0.004 0.000 1.235 150 L HN -0.269 nan 8.230 nan 0.000 0.499 151 A N -0.440 122.493 122.820 0.188 0.000 2.067 151 A HA -0.033 4.286 4.320 -0.000 0.000 0.219 151 A C 1.204 178.782 177.584 -0.011 0.000 1.158 151 A CA 1.355 53.467 52.037 0.125 0.000 0.661 151 A CB -0.350 18.782 19.000 0.220 0.000 0.801 151 A HN 0.392 nan 8.150 nan 0.000 0.452 152 F N -1.330 118.658 119.950 0.062 0.000 2.805 152 F HA 0.392 4.919 4.527 -0.001 0.000 0.317 152 F C 1.040 176.885 175.800 0.076 0.000 1.146 152 F CA -0.049 57.975 58.000 0.041 0.000 1.265 152 F CB 0.320 39.328 39.000 0.014 0.000 0.992 152 F HN 0.133 nan 8.300 nan 0.000 0.511 153 S N -0.580 115.239 115.700 0.198 0.000 4.341 153 S HA 0.687 5.156 4.470 -0.000 0.000 0.223 153 S C 1.775 176.460 174.600 0.143 0.000 1.085 153 S CA 0.416 58.735 58.200 0.199 0.000 1.732 153 S CB 0.008 63.351 63.200 0.238 0.000 0.999 153 S HN 0.038 nan 8.310 nan 0.000 0.742 154 A N 0.860 123.778 122.820 0.163 0.000 1.915 154 A HA -0.012 4.308 4.320 -0.000 0.000 0.220 154 A C 1.613 179.255 177.584 0.095 0.000 1.198 154 A CA 2.559 54.699 52.037 0.172 0.000 0.647 154 A CB -1.183 17.924 19.000 0.178 0.000 0.825 154 A HN 1.113 nan 8.150 nan 0.000 0.456 155 A N -1.090 121.733 122.820 0.005 0.000 2.637 155 A HA 0.565 4.885 4.320 -0.000 0.000 0.293 155 A C 1.034 178.587 177.584 -0.051 0.000 1.216 155 A CA 0.572 52.563 52.037 -0.076 0.000 0.956 155 A CB -0.713 18.213 19.000 -0.124 0.000 1.174 155 A HN 0.821 nan 8.150 nan 0.000 0.525 156 G N -0.931 107.856 108.800 -0.022 0.000 2.525 156 G HA2 0.376 4.335 3.960 -0.000 0.000 0.276 156 G HA3 0.376 4.335 3.960 -0.000 0.000 0.276 156 G C 1.187 176.014 174.900 -0.121 0.000 1.388 156 G CA 0.127 45.186 45.100 -0.068 0.000 1.050 156 G HN 0.529 nan 8.290 nan 0.000 0.520 157 G N -0.688 107.973 108.800 -0.232 0.000 2.442 157 G HA2 -0.196 3.763 3.960 -0.000 0.000 0.219 157 G HA3 -0.196 3.763 3.960 -0.000 0.000 0.219 157 G C 1.322 176.150 174.900 -0.119 0.000 1.141 157 G CA 1.529 46.521 45.100 -0.179 0.000 0.763 157 G HN 0.485 nan 8.290 nan 0.000 0.554 158 D N 0.017 120.391 120.400 -0.042 0.000 2.097 158 D HA -0.039 4.601 4.640 -0.000 0.000 0.197 158 D C 2.779 178.989 176.300 -0.150 0.000 0.984 158 D CA 1.360 55.393 54.000 0.055 0.000 0.826 158 D CB -0.617 40.273 40.800 0.150 0.000 0.973 158 D HN 0.193 nan 8.370 nan 0.000 0.460 159 T N 0.661 115.135 114.554 -0.133 0.000 2.708 159 T HA -0.116 4.233 4.350 -0.000 0.000 0.266 159 T C 1.979 176.552 174.700 -0.212 0.000 1.037 159 T CA 1.569 63.580 62.100 -0.149 0.000 1.146 159 T CB -0.320 68.538 68.868 -0.016 0.000 0.865 159 T HN 0.178 nan 8.240 nan 0.000 0.435 160 A N 1.924 124.614 122.820 -0.218 0.000 1.883 160 A HA -0.134 4.186 4.320 -0.000 0.000 0.217 160 A C 2.596 179.835 177.584 -0.575 0.000 1.186 160 A CA 2.362 54.238 52.037 -0.269 0.000 0.624 160 A CB -0.965 17.962 19.000 -0.123 0.000 0.822 160 A HN 0.618 nan 8.150 nan 0.000 0.444 161 S N 0.004 115.190 115.700 -0.855 0.000 2.402 161 S HA 0.110 4.580 4.470 -0.000 0.000 0.229 161 S C 2.060 176.430 174.600 -0.385 0.000 1.021 161 S CA 1.225 58.819 58.200 -1.010 0.000 0.974 161 S CB -0.584 62.187 63.200 -0.715 0.000 0.800 161 S HN 0.859 nan 8.310 nan 0.000 0.484 162 A N 2.202 124.718 122.820 -0.508 0.000 1.873 162 A HA 0.217 4.537 4.320 -0.000 0.000 0.215 162 A C 2.308 179.717 177.584 -0.293 0.000 1.186 162 A CA 1.215 52.813 52.037 -0.732 0.000 0.616 162 A CB -0.851 17.480 19.000 -1.115 0.000 0.823 162 A HN 0.512 nan 8.150 nan 0.000 0.442 163 L N -0.658 120.455 121.223 -0.184 0.000 2.083 163 L HA -0.202 4.138 4.340 -0.000 0.000 0.209 163 L C 3.085 179.911 176.870 -0.073 0.000 1.083 163 L CA 1.023 55.900 54.840 0.063 0.000 0.752 163 L CB -0.591 41.516 42.059 0.080 0.000 0.899 163 L HN 0.446 nan 8.230 nan 0.000 0.433 164 A N 0.182 122.880 122.820 -0.203 0.000 1.902 164 A HA -0.170 4.150 4.320 -0.000 0.000 0.217 164 A C 2.482 179.813 177.584 -0.422 0.000 1.181 164 A CA 1.729 53.603 52.037 -0.272 0.000 0.623 164 A CB -0.661 18.197 19.000 -0.236 0.000 0.818 164 A HN 0.401 nan 8.150 nan 0.000 0.443 165 A N -1.979 120.648 122.820 -0.321 0.000 2.121 165 A HA 0.353 4.673 4.320 -0.000 0.000 0.218 165 A C 1.833 179.267 177.584 -0.249 0.000 1.154 165 A CA 1.546 53.412 52.037 -0.286 0.000 0.679 165 A CB -0.827 18.174 19.000 0.003 0.000 0.795 165 A HN 1.977 nan 8.150 nan 0.000 0.458 166 G N -2.722 105.898 108.800 -0.300 0.000 2.135 166 G HA2 -0.169 3.790 3.960 -0.000 0.000 0.183 166 G HA3 -0.169 3.790 3.960 -0.000 0.000 0.183 166 G C -0.098 174.796 174.900 -0.011 0.000 1.004 166 G CA -0.197 44.643 45.100 -0.432 0.000 0.677 166 G HN 0.621 nan 8.290 nan 0.000 0.512 167 C N 1.150 120.537 119.300 0.145 0.000 2.319 167 C HA 0.649 5.109 4.460 -0.000 0.000 0.335 167 C C -1.532 173.577 174.990 0.198 0.000 1.274 167 C CA -1.538 57.582 59.018 0.170 0.000 1.806 167 C CB 1.442 29.166 27.740 -0.025 0.000 2.329 167 C HN 0.340 nan 8.230 nan 0.000 0.524 168 P HA 0.303 nan 4.420 nan 0.000 0.272 168 P C -0.894 176.310 177.300 -0.159 0.000 1.223 168 P CA -0.010 63.000 63.100 -0.150 0.000 0.784 168 P CB 0.535 32.142 31.700 -0.156 0.000 0.923 169 V N 3.917 123.715 119.914 -0.194 0.000 2.604 169 V HA 0.432 4.552 4.120 -0.000 0.000 0.305 169 V C 0.016 175.880 176.094 -0.383 0.000 1.043 169 V CA -0.446 61.716 62.300 -0.230 0.000 0.888 169 V CB 1.722 33.482 31.823 -0.105 0.000 0.995 169 V HN 0.367 nan 8.190 nan 0.000 0.429 170 I N 4.598 124.949 120.570 -0.365 0.000 2.410 170 I HA 0.430 4.599 4.170 -0.000 0.000 0.286 170 I C -0.666 175.213 176.117 -0.397 0.000 1.009 170 I CA -0.718 60.325 61.300 -0.429 0.000 1.111 170 I CB 2.006 39.814 38.000 -0.320 0.000 1.262 170 I HN 0.256 nan 8.210 nan 0.000 0.443 171 V N 6.554 126.193 119.914 -0.459 0.000 2.407 171 V HA 0.283 4.403 4.120 -0.000 0.000 0.278 171 V C 0.397 176.302 176.094 -0.316 0.000 1.037 171 V CA -0.700 61.409 62.300 -0.319 0.000 0.900 171 V CB 1.672 33.403 31.823 -0.153 0.000 0.983 171 V HN 0.501 nan 8.190 nan 0.000 0.459 172 K N 4.311 124.444 120.400 -0.445 0.000 2.231 172 K HA 0.295 4.615 4.320 -0.000 0.000 0.275 172 K C 0.451 176.904 176.600 -0.244 0.000 1.105 172 K CA -0.206 55.828 56.287 -0.421 0.000 0.931 172 K CB 0.653 32.659 32.500 -0.824 0.000 1.296 172 K HN 0.875 nan 8.250 nan 0.000 0.446 173 G N 3.841 112.572 108.800 -0.116 0.000 2.265 173 G HA2 -0.121 3.839 3.960 -0.000 0.000 0.240 173 G HA3 -0.121 3.839 3.960 -0.000 0.000 0.240 173 G C -0.068 174.789 174.900 -0.072 0.000 1.270 173 G CA -0.055 45.013 45.100 -0.054 0.000 0.901 173 G HN 0.680 nan 8.290 nan 0.000 0.507 174 H N 1.828 120.776 119.070 -0.204 0.000 2.886 174 H HA 0.022 4.578 4.556 -0.000 0.000 0.329 174 H C 1.925 177.078 175.328 -0.291 0.000 1.044 174 H CA 0.870 56.762 56.048 -0.262 0.000 1.456 174 H CB 0.999 30.513 29.762 -0.414 0.000 1.464 174 H HN 0.559 nan 8.280 nan 0.000 0.573 175 T N 1.091 115.643 114.554 -0.003 0.000 3.051 175 T HA -0.025 4.324 4.350 -0.000 0.000 0.269 175 T C 1.839 176.644 174.700 0.175 0.000 1.127 175 T CA 0.624 62.775 62.100 0.086 0.000 1.107 175 T CB -0.059 68.765 68.868 -0.075 0.000 0.898 175 T HN 0.516 nan 8.240 nan 0.000 0.517 176 A N 2.197 125.171 122.820 0.258 0.000 2.067 176 A HA 0.048 4.368 4.320 -0.000 0.000 0.217 176 A C 1.392 178.980 177.584 0.006 0.000 1.156 176 A CA 0.745 52.816 52.037 0.058 0.000 0.683 176 A CB -0.462 18.462 19.000 -0.126 0.000 0.808 176 A HN 0.923 nan 8.150 nan 0.000 0.455 177 H N -3.358 115.715 119.070 0.004 0.000 2.823 177 H HA 0.226 4.782 4.556 -0.000 0.000 0.222 177 H C -2.629 172.620 175.328 -0.132 0.000 1.414 177 H CA -0.801 55.209 56.048 -0.062 0.000 1.289 177 H CB -0.151 29.570 29.762 -0.067 0.000 1.970 177 H HN 0.233 nan 8.280 nan 0.000 0.517 178 P HA -0.108 nan 4.420 nan 0.000 0.217 178 P C 1.723 178.593 177.300 -0.716 0.000 1.150 178 P CA 1.802 64.514 63.100 -0.647 0.000 0.832 178 P CB -0.100 30.882 31.700 -1.196 0.000 0.787 179 G N -0.355 108.135 108.800 -0.517 0.000 2.408 179 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.217 179 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.217 179 G C 1.543 176.482 174.900 0.064 0.000 1.150 179 G CA 1.301 46.411 45.100 0.018 0.000 0.776 179 G HN 0.199 nan 8.290 nan 0.000 0.542 180 T N 1.254 115.841 114.554 0.055 0.000 2.708 180 T HA -0.099 4.251 4.350 -0.000 0.000 0.266 180 T C 2.850 177.602 174.700 0.086 0.000 1.037 180 T CA 1.556 63.699 62.100 0.072 0.000 1.146 180 T CB -0.302 68.596 68.868 0.050 0.000 0.865 180 T HN 0.254 nan 8.240 nan 0.000 0.435 181 S N 1.103 116.879 115.700 0.127 0.000 2.368 181 S HA -0.169 4.301 4.470 -0.000 0.000 0.225 181 S C 2.144 176.804 174.600 0.100 0.000 1.030 181 S CA 1.167 59.444 58.200 0.127 0.000 0.999 181 S CB -0.370 62.903 63.200 0.122 0.000 0.844 181 S HN 0.523 nan 8.310 nan 0.000 0.459 182 Q N 0.628 120.478 119.800 0.083 0.000 2.061 182 Q HA -0.115 4.225 4.340 -0.000 0.000 0.204 182 Q C 2.060 178.124 176.000 0.106 0.000 0.984 182 Q CA 1.475 57.355 55.803 0.128 0.000 0.846 182 Q CB -0.245 28.627 28.738 0.223 0.000 0.902 182 Q HN 0.535 nan 8.270 nan 0.000 0.421 183 I N -0.157 120.467 120.570 0.090 0.000 2.226 183 I HA -0.271 3.899 4.170 -0.000 0.000 0.245 183 I C 2.228 178.365 176.117 0.032 0.000 1.100 183 I CA 0.811 62.147 61.300 0.060 0.000 1.374 183 I CB -0.232 37.800 38.000 0.053 0.000 1.057 183 I HN 0.108 nan 8.210 nan 0.000 0.413 184 V N 1.083 121.015 119.914 0.029 0.000 2.343 184 V HA -0.294 3.825 4.120 -0.000 0.000 0.247 184 V C 2.702 178.768 176.094 -0.048 0.000 1.051 184 V CA 1.990 64.281 62.300 -0.015 0.000 1.036 184 V CB -1.006 30.814 31.823 -0.006 0.000 0.654 184 V HN 0.505 nan 8.190 nan 0.000 0.451 185 A N -0.558 122.286 122.820 0.041 0.000 1.969 185 A HA -0.221 4.098 4.320 -0.000 0.000 0.218 185 A C 2.175 179.786 177.584 0.046 0.000 1.169 185 A CA 1.708 53.808 52.037 0.105 0.000 0.635 185 A CB -0.419 18.738 19.000 0.263 0.000 0.810 185 A HN 0.618 nan 8.150 nan 0.000 0.445 186 E N -0.838 119.386 120.200 0.039 0.000 2.106 186 E HA -0.167 4.183 4.350 -0.000 0.000 0.192 186 E C 2.013 178.605 176.600 -0.012 0.000 0.984 186 E CA 1.185 57.599 56.400 0.024 0.000 0.806 186 E CB -0.330 29.388 29.700 0.030 0.000 0.750 186 E HN 0.702 nan 8.360 nan 0.000 0.458 187 C N 0.476 119.753 119.300 -0.038 0.000 2.453 187 C HA -0.096 4.363 4.460 -0.000 0.000 0.277 187 C C 2.550 177.481 174.990 -0.097 0.000 1.262 187 C CA 0.338 59.319 59.018 -0.061 0.000 1.718 187 C CB -0.711 26.987 27.740 -0.069 0.000 2.031 187 C HN 0.404 nan 8.230 nan 0.000 0.480 188 I N 0.801 121.268 120.570 -0.171 0.000 2.315 188 I HA -0.198 3.972 4.170 -0.000 0.000 0.248 188 I C 2.691 178.737 176.117 -0.118 0.000 1.117 188 I CA 1.569 62.724 61.300 -0.242 0.000 1.404 188 I CB -0.634 37.007 38.000 -0.597 0.000 1.071 188 I HN 0.485 nan 8.210 nan 0.000 0.419 189 E N 0.700 120.870 120.200 -0.050 0.000 2.077 189 E HA -0.273 4.077 4.350 -0.000 0.000 0.193 189 E C 2.207 178.798 176.600 -0.016 0.000 0.989 189 E CA 1.142 57.540 56.400 -0.003 0.000 0.800 189 E CB 0.109 29.823 29.700 0.024 0.000 0.746 189 E HN 0.372 nan 8.360 nan 0.000 0.452 190 Q N 0.114 119.899 119.800 -0.024 0.000 2.079 190 Q HA -0.093 4.247 4.340 -0.000 0.000 0.200 190 Q C 2.064 178.050 176.000 -0.023 0.000 0.974 190 Q CA 1.468 57.259 55.803 -0.019 0.000 0.840 190 Q CB -0.461 28.266 28.738 -0.019 0.000 0.898 190 Q HN 0.394 nan 8.270 nan 0.000 0.430 191 A N 0.524 123.321 122.820 -0.038 0.000 1.902 191 A HA -0.148 4.171 4.320 -0.000 0.000 0.217 191 A C 2.254 179.824 177.584 -0.023 0.000 1.181 191 A CA 1.191 53.207 52.037 -0.035 0.000 0.623 191 A CB -0.742 18.224 19.000 -0.057 0.000 0.818 191 A HN 0.354 nan 8.150 nan 0.000 0.443 192 L N -0.841 120.364 121.223 -0.029 0.000 2.083 192 L HA -0.196 4.144 4.340 -0.000 0.000 0.209 192 L C 2.595 179.460 176.870 -0.008 0.000 1.083 192 L CA 1.600 56.429 54.840 -0.018 0.000 0.752 192 L CB -0.382 41.661 42.059 -0.027 0.000 0.899 192 L HN 0.368 nan 8.230 nan 0.000 0.433 193 K N -0.474 119.921 120.400 -0.008 0.000 2.025 193 K HA -0.235 4.085 4.320 -0.000 0.000 0.207 193 K C 2.166 178.766 176.600 -0.000 0.000 1.049 193 K CA 1.306 57.591 56.287 -0.004 0.000 0.933 193 K CB -0.107 32.390 32.500 -0.004 0.000 0.714 193 K HN 0.088 nan 8.250 nan 0.000 0.438 194 Q N 1.277 121.076 119.800 -0.002 0.000 2.084 194 Q HA -0.153 4.187 4.340 -0.000 0.000 0.202 194 Q C 1.472 177.476 176.000 0.006 0.000 0.978 194 Q CA 1.567 57.370 55.803 0.001 0.000 0.844 194 Q CB 0.139 28.876 28.738 -0.002 0.000 0.898 194 Q HN 0.178 nan 8.270 nan 0.000 0.426 195 E N 0.196 120.402 120.200 0.009 0.000 2.481 195 E HA -0.057 4.293 4.350 -0.000 0.000 0.195 195 E C -0.341 176.273 176.600 0.022 0.000 1.047 195 E CA 0.283 56.694 56.400 0.019 0.000 0.867 195 E CB 0.161 29.877 29.700 0.028 0.000 0.858 195 E HN 0.468 nan 8.360 nan 0.000 0.513 196 Q N 0.050 119.859 119.800 0.015 0.000 2.460 196 Q HA -0.191 4.149 4.340 -0.000 0.000 0.311 196 Q C -0.617 175.395 176.000 0.020 0.000 1.396 196 Q CA 0.392 56.203 55.803 0.014 0.000 0.838 196 Q CB -1.829 26.919 28.738 0.016 0.000 1.140 196 Q HN 0.242 nan 8.270 nan 0.000 0.415 197 L N -0.510 120.723 121.223 0.016 0.000 2.323 197 L HA 0.637 4.977 4.340 -0.000 0.000 0.265 197 L C -2.049 174.814 176.870 -0.011 0.000 1.012 197 L CA -2.582 52.269 54.840 0.019 0.000 0.820 197 L CB 1.336 43.419 42.059 0.039 0.000 1.334 197 L HN -0.123 nan 8.230 nan 0.000 0.427 198 P HA -0.005 nan 4.420 nan 0.000 0.264 198 P C -0.082 177.176 177.300 -0.070 0.000 1.183 198 P CA -0.151 62.921 63.100 -0.045 0.000 0.763 198 P CB 0.489 32.158 31.700 -0.052 0.000 0.807 199 Q N 2.558 122.327 119.800 -0.051 0.000 2.224 199 Q HA -0.114 4.226 4.340 -0.000 0.000 0.203 199 Q C 1.872 177.830 176.000 -0.071 0.000 0.970 199 Q CA 1.511 57.288 55.803 -0.043 0.000 0.865 199 Q CB -0.687 28.035 28.738 -0.026 0.000 0.922 199 Q HN 0.578 nan 8.270 nan 0.000 0.445 200 A N 0.377 123.139 122.820 -0.098 0.000 2.225 200 A HA -0.082 4.238 4.320 -0.000 0.000 0.215 200 A C 1.963 179.433 177.584 -0.190 0.000 1.164 200 A CA 0.400 52.357 52.037 -0.132 0.000 0.710 200 A CB -0.633 18.299 19.000 -0.114 0.000 0.780 200 A HN 0.309 nan 8.150 nan 0.000 0.473 201 I N -2.359 118.072 120.570 -0.232 0.000 2.394 201 I HA -0.070 4.100 4.170 -0.000 0.000 0.251 201 I C 0.598 176.572 176.117 -0.239 0.000 1.136 201 I CA 0.898 61.951 61.300 -0.411 0.000 1.425 201 I CB 0.026 37.665 38.000 -0.603 0.000 1.079 201 I HN 0.430 nan 8.210 nan 0.000 0.425 202 F N 0.056 119.850 119.950 -0.259 0.000 2.574 202 F HA 0.435 4.962 4.527 -0.000 0.000 0.313 202 F C -0.841 174.868 175.800 -0.151 0.000 1.130 202 F CA -0.379 57.502 58.000 -0.199 0.000 0.936 202 F CB 1.701 40.600 39.000 -0.168 0.000 1.219 202 F HN -0.403 nan 8.300 nan 0.000 0.445 203 T N 6.881 120.822 114.554 -1.022 0.000 2.971 203 T HA 0.480 4.830 4.350 -0.000 0.000 0.304 203 T C -1.744 172.467 174.700 -0.815 0.000 1.038 203 T CA -0.478 61.216 62.100 -0.677 0.000 1.007 203 T CB 1.648 70.276 68.868 -0.400 0.000 1.055 203 T HN 0.612 nan 8.240 nan 0.000 0.451 204 L N 4.362 125.329 121.223 -0.427 0.000 2.287 204 L HA 0.684 5.024 4.340 -0.000 0.000 0.287 204 L C -1.371 175.454 176.870 -0.074 0.000 1.022 204 L CA -0.472 54.236 54.840 -0.219 0.000 0.814 204 L CB 0.466 42.549 42.059 0.041 0.000 1.217 204 L HN 0.603 nan 8.230 nan 0.000 0.420 205 L N 4.998 126.183 121.223 -0.063 0.000 2.334 205 L HA 0.603 4.942 4.340 -0.000 0.000 0.276 205 L C -0.270 176.703 176.870 0.171 0.000 1.014 205 L CA -0.674 54.246 54.840 0.133 0.000 0.815 205 L CB 1.730 43.782 42.059 -0.011 0.000 1.268 205 L HN 0.593 nan 8.230 nan 0.000 0.428 206 Q N 1.457 121.424 119.800 0.279 0.000 2.433 206 Q HA 0.816 5.156 4.340 -0.000 0.000 0.279 206 Q C -0.519 175.496 176.000 0.025 0.000 1.105 206 Q CA -0.841 55.015 55.803 0.089 0.000 0.815 206 Q CB 3.152 31.948 28.738 0.097 0.000 1.403 206 Q HN 0.830 nan 8.270 nan 0.000 0.435 207 G N 1.283 110.079 108.800 -0.006 0.000 2.322 207 G HA2 -0.010 3.950 3.960 -0.000 0.000 0.289 207 G HA3 -0.010 3.950 3.960 -0.000 0.000 0.289 207 G C -0.610 173.954 174.900 -0.559 0.000 1.687 207 G CA -0.648 44.293 45.100 -0.265 0.000 0.944 207 G HN 0.613 nan 8.290 nan 0.000 0.718 208 N N -0.236 117.996 118.700 -0.779 0.000 2.235 208 N HA 0.065 4.805 4.740 -0.000 0.000 0.209 208 N C 0.213 175.561 175.510 -0.269 0.000 1.122 208 N CA -0.024 52.672 53.050 -0.590 0.000 0.845 208 N CB 0.655 38.712 38.487 -0.717 0.000 1.004 208 N HN 0.651 nan 8.380 nan 0.000 0.499 209 Q N 0.588 120.277 119.800 -0.186 0.000 2.340 209 Q HA 0.333 4.673 4.340 -0.000 0.000 0.259 209 Q C 0.437 176.408 176.000 -0.047 0.000 0.964 209 Q CA -0.789 54.962 55.803 -0.087 0.000 0.900 209 Q CB 1.682 30.388 28.738 -0.053 0.000 1.228 209 Q HN -0.026 nan 8.270 nan 0.000 0.449 210 R N 1.448 121.932 120.500 -0.026 0.000 2.211 210 R HA -0.169 4.171 4.340 -0.000 0.000 0.240 210 R C 1.673 177.994 176.300 0.035 0.000 1.144 210 R CA 1.193 57.300 56.100 0.011 0.000 0.992 210 R CB -0.769 29.536 30.300 0.009 0.000 0.869 210 R HN 0.720 nan 8.270 nan 0.000 0.462 211 A N 1.146 123.979 122.820 0.022 0.000 2.024 211 A HA -0.168 4.151 4.320 -0.000 0.000 0.220 211 A C 2.141 179.756 177.584 0.052 0.000 1.164 211 A CA 1.130 53.186 52.037 0.032 0.000 0.643 211 A CB -0.417 18.596 19.000 0.021 0.000 0.806 211 A HN 0.241 nan 8.150 nan 0.000 0.451 212 L N 0.044 121.297 121.223 0.050 0.000 1.976 212 L HA -0.032 4.308 4.340 -0.000 0.000 0.209 212 L C 2.425 179.359 176.870 0.107 0.000 1.071 212 L CA 2.612 57.488 54.840 0.061 0.000 0.746 212 L CB -1.290 40.793 42.059 0.039 0.000 0.890 212 L HN 0.270 nan 8.230 nan 0.000 0.432 213 G N -1.605 107.301 108.800 0.176 0.000 2.442 213 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.219 213 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.219 213 G C 1.467 176.567 174.900 0.332 0.000 1.141 213 G CA 0.886 46.219 45.100 0.389 0.000 0.763 213 G HN 0.577 nan 8.290 nan 0.000 0.554 214 Q N 0.128 120.035 119.800 0.179 0.000 2.084 214 Q HA 0.074 4.413 4.340 -0.000 0.000 0.202 214 Q C 2.985 179.052 176.000 0.112 0.000 0.978 214 Q CA 1.324 57.197 55.803 0.116 0.000 0.844 214 Q CB -0.248 28.525 28.738 0.059 0.000 0.898 214 Q HN 0.477 nan 8.270 nan 0.000 0.426 215 A N 0.588 123.470 122.820 0.104 0.000 1.930 215 A HA -0.157 4.163 4.320 -0.000 0.000 0.217 215 A C 2.016 179.681 177.584 0.134 0.000 1.175 215 A CA 1.027 53.122 52.037 0.096 0.000 0.627 215 A CB -0.563 18.485 19.000 0.081 0.000 0.815 215 A HN 0.351 nan 8.150 nan 0.000 0.443 216 L N -0.041 121.266 121.223 0.139 0.000 2.017 216 L HA -0.103 4.237 4.340 -0.000 0.000 0.208 216 L C 2.343 179.324 176.870 0.186 0.000 1.073 216 L CA 1.960 56.877 54.840 0.128 0.000 0.745 216 L CB -0.547 41.556 42.059 0.073 0.000 0.894 216 L HN 0.140 nan 8.230 nan 0.000 0.432 217 V N -0.990 119.074 119.914 0.251 0.000 2.594 217 V HA -0.197 3.922 4.120 -0.000 0.000 0.253 217 V C 2.284 178.464 176.094 0.144 0.000 1.069 217 V CA 1.795 64.243 62.300 0.246 0.000 1.082 217 V CB -0.446 31.538 31.823 0.268 0.000 0.680 217 V HN 0.503 nan 8.190 nan 0.000 0.469 218 S N -2.424 113.342 115.700 0.110 0.000 2.548 218 S HA 0.063 4.533 4.470 -0.000 0.000 0.215 218 S C 0.841 175.466 174.600 0.043 0.000 0.976 218 S CA -0.249 57.981 58.200 0.050 0.000 0.908 218 S CB -0.297 62.914 63.200 0.019 0.000 0.781 218 S HN 0.630 nan 8.310 nan 0.000 0.519 219 H N 2.848 121.930 119.070 0.019 0.000 2.929 219 H HA 0.089 4.644 4.556 -0.000 0.000 0.317 219 H C -2.054 173.274 175.328 0.000 0.000 1.031 219 H CA -1.316 54.734 56.048 0.004 0.000 1.466 219 H CB 1.178 30.939 29.762 -0.002 0.000 1.482 219 H HN -0.012 nan 8.280 nan 0.000 0.561 220 P HA -0.149 nan 4.420 nan 0.000 0.218 220 P C 0.920 178.289 177.300 0.116 0.000 1.146 220 P CA 1.097 64.180 63.100 -0.030 0.000 0.813 220 P CB 0.439 32.063 31.700 -0.125 0.000 0.778 221 E N -1.196 119.211 120.200 0.345 0.000 2.435 221 E HA 0.029 4.379 4.350 -0.000 0.000 0.195 221 E C 0.763 177.431 176.600 0.114 0.000 1.029 221 E CA 0.279 56.801 56.400 0.204 0.000 0.865 221 E CB -0.070 29.731 29.700 0.168 0.000 0.833 221 E HN 0.257 nan 8.360 nan 0.000 0.510 222 I N 2.023 122.675 120.570 0.136 0.000 2.416 222 I HA 0.005 4.175 4.170 -0.000 0.000 0.288 222 I C 1.228 177.395 176.117 0.082 0.000 1.051 222 I CA 0.097 61.443 61.300 0.076 0.000 1.375 222 I CB 0.948 39.003 38.000 0.092 0.000 1.407 222 I HN -0.240 nan 8.210 nan 0.000 0.516 223 K N 4.513 124.962 120.400 0.081 0.000 2.358 223 K HA 0.488 4.808 4.320 -0.000 0.000 0.200 223 K C 0.092 176.783 176.600 0.151 0.000 1.030 223 K CA 0.090 56.437 56.287 0.100 0.000 1.097 223 K CB 0.952 33.512 32.500 0.100 0.000 0.862 223 K HN 0.695 nan 8.250 nan 0.000 0.534 224 A N -0.127 122.807 122.820 0.189 0.000 2.583 224 A HA 0.597 4.916 4.320 -0.000 0.000 0.292 224 A C -1.529 176.242 177.584 0.312 0.000 1.045 224 A CA -0.638 51.591 52.037 0.320 0.000 0.672 224 A CB 1.230 20.583 19.000 0.589 0.000 1.283 224 A HN -0.149 nan 8.150 nan 0.000 0.419 225 V N 0.027 120.164 119.914 0.372 0.000 2.789 225 V HA 0.805 4.925 4.120 -0.000 0.000 0.311 225 V C 0.485 176.761 176.094 0.304 0.000 1.073 225 V CA -0.031 62.407 62.300 0.231 0.000 0.921 225 V CB 2.157 34.010 31.823 0.051 0.000 1.009 225 V HN 1.641 nan 8.190 nan 0.000 0.426 226 G N 2.328 111.322 108.800 0.325 0.000 2.478 226 G HA2 0.710 4.670 3.960 -0.000 0.000 0.317 226 G HA3 0.710 4.670 3.960 -0.000 0.000 0.317 226 G C -1.652 173.448 174.900 0.334 0.000 1.259 226 G CA -0.363 44.993 45.100 0.427 0.000 0.933 226 G HN 0.540 nan 8.290 nan 0.000 0.478 227 F N 1.774 121.774 119.950 0.084 0.000 2.578 227 F HA 0.722 5.249 4.527 -0.000 0.000 0.311 227 F C -0.626 175.293 175.800 0.198 0.000 1.094 227 F CA -0.559 57.515 58.000 0.123 0.000 0.923 227 F CB 2.662 41.620 39.000 -0.070 0.000 1.230 227 F HN 0.387 nan 8.300 nan 0.000 0.450 228 T N 4.240 118.472 114.554 -0.537 0.000 2.965 228 T HA 0.747 5.097 4.350 -0.000 0.000 0.306 228 T C -0.276 174.040 174.700 -0.640 0.000 0.991 228 T CA -0.324 61.612 62.100 -0.275 0.000 1.001 228 T CB 1.047 69.931 68.868 0.027 0.000 0.984 228 T HN 1.122 nan 8.240 nan 0.000 0.446 229 G N 1.893 110.488 108.800 -0.342 0.000 2.392 229 G HA2 0.518 4.478 3.960 -0.000 0.000 0.260 229 G HA3 0.518 4.478 3.960 -0.000 0.000 0.260 229 G C -0.568 174.440 174.900 0.180 0.000 1.226 229 G CA -0.207 44.803 45.100 -0.149 0.000 0.913 229 G HN 0.898 nan 8.290 nan 0.000 0.483 230 S N -0.780 115.054 115.700 0.224 0.000 2.593 230 S HA 0.381 4.850 4.470 -0.000 0.000 0.269 230 S C 1.474 176.180 174.600 0.177 0.000 1.334 230 S CA 0.413 58.705 58.200 0.152 0.000 1.015 230 S CB 1.606 64.867 63.200 0.102 0.000 0.912 230 S HN 1.838 nan 8.310 nan 0.000 0.541 231 V N 2.850 122.811 119.914 0.078 0.000 2.427 231 V HA 0.078 4.198 4.120 -0.000 0.000 0.248 231 V C 2.126 178.227 176.094 0.011 0.000 1.051 231 V CA 2.542 64.853 62.300 0.019 0.000 1.048 231 V CB -1.413 30.399 31.823 -0.019 0.000 0.666 231 V HN 1.066 nan 8.190 nan 0.000 0.456 232 G N -0.246 108.570 108.800 0.028 0.000 2.453 232 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.215 232 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.215 232 G C 1.586 176.476 174.900 -0.018 0.000 1.201 232 G CA 0.820 45.927 45.100 0.012 0.000 0.784 232 G HN 0.684 nan 8.290 nan 0.000 0.545 233 G N 0.585 109.389 108.800 0.006 0.000 2.394 233 G HA2 0.124 4.084 3.960 -0.000 0.000 0.215 233 G HA3 0.124 4.084 3.960 -0.000 0.000 0.215 233 G C 1.782 176.531 174.900 -0.252 0.000 1.165 233 G CA 1.339 46.415 45.100 -0.040 0.000 0.784 233 G HN 0.612 nan 8.290 nan 0.000 0.535 234 G N 0.688 109.295 108.800 -0.321 0.000 2.421 234 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.216 234 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.216 234 G C 1.896 176.536 174.900 -0.433 0.000 1.171 234 G CA 1.199 45.828 45.100 -0.784 0.000 0.775 234 G HN 0.428 nan 8.290 nan 0.000 0.543 235 R N 1.183 121.565 120.500 -0.198 0.000 2.092 235 R HA 0.168 4.508 4.340 -0.000 0.000 0.231 235 R C 2.727 178.952 176.300 -0.126 0.000 1.119 235 R CA 1.659 57.694 56.100 -0.107 0.000 0.970 235 R CB -0.918 29.383 30.300 0.002 0.000 0.864 235 R HN 0.245 nan 8.270 nan 0.000 0.440 236 A N 0.479 123.208 122.820 -0.152 0.000 1.877 236 A HA -0.106 4.213 4.320 -0.000 0.000 0.216 236 A C 2.245 179.702 177.584 -0.212 0.000 1.186 236 A CA 1.574 53.528 52.037 -0.137 0.000 0.620 236 A CB -0.655 18.282 19.000 -0.106 0.000 0.822 236 A HN 0.349 nan 8.150 nan 0.000 0.443 237 L N -2.065 118.957 121.223 -0.334 0.000 2.141 237 L HA -0.120 4.220 4.340 -0.000 0.000 0.209 237 L C 2.470 178.918 176.870 -0.704 0.000 1.094 237 L CA 1.380 55.987 54.840 -0.389 0.000 0.763 237 L CB -0.515 41.325 42.059 -0.364 0.000 0.908 237 L HN 0.537 nan 8.230 nan 0.000 0.437 238 F N 1.487 120.695 119.950 -1.236 0.000 2.102 238 F HA -0.223 4.304 4.527 -0.000 0.000 0.298 238 F C 2.354 177.882 175.800 -0.454 0.000 1.105 238 F CA 1.649 58.857 58.000 -1.321 0.000 1.239 238 F CB -0.250 38.213 39.000 -0.895 0.000 0.991 238 F HN 0.103 nan 8.300 nan 0.000 0.474 239 N N 0.819 119.378 118.700 -0.234 0.000 2.166 239 N HA -0.177 4.563 4.740 -0.000 0.000 0.186 239 N C 1.887 177.276 175.510 -0.202 0.000 1.019 239 N CA 1.403 54.346 53.050 -0.178 0.000 0.856 239 N CB -0.821 37.630 38.487 -0.060 0.000 0.993 239 N HN 0.333 nan 8.380 nan 0.000 0.426 240 L N 1.222 122.325 121.223 -0.199 0.000 2.017 240 L HA -0.044 4.296 4.340 -0.000 0.000 0.208 240 L C 2.082 178.858 176.870 -0.156 0.000 1.073 240 L CA 1.523 56.279 54.840 -0.140 0.000 0.745 240 L CB -0.982 41.017 42.059 -0.101 0.000 0.894 240 L HN 0.148 nan 8.230 nan 0.000 0.432 241 A N -1.671 121.019 122.820 -0.216 0.000 1.972 241 A HA -0.236 4.083 4.320 -0.000 0.000 0.219 241 A C 1.797 179.108 177.584 -0.455 0.000 1.169 241 A CA 1.856 53.750 52.037 -0.238 0.000 0.635 241 A CB -0.910 18.008 19.000 -0.137 0.000 0.810 241 A HN 0.687 nan 8.150 nan 0.000 0.446 242 H N -1.060 117.775 119.070 -0.392 0.000 2.551 242 H HA 0.251 4.807 4.556 -0.001 0.000 0.271 242 H C 1.210 176.416 175.328 -0.203 0.000 0.984 242 H CA 0.561 56.412 56.048 -0.329 0.000 1.164 242 H CB 0.349 29.815 29.762 -0.493 0.000 1.437 242 H HN 0.618 nan 8.280 nan 0.000 0.550 243 E N 0.161 120.290 120.200 -0.119 0.000 2.476 243 E HA 0.102 4.452 4.350 -0.000 0.000 0.199 243 E C 0.249 176.800 176.600 -0.081 0.000 1.021 243 E CA -0.169 56.182 56.400 -0.082 0.000 0.907 243 E CB 0.598 30.254 29.700 -0.073 0.000 0.974 243 E HN 0.314 nan 8.360 nan 0.000 0.489 244 R N 1.030 121.467 120.500 -0.105 0.000 2.784 244 R HA 0.020 4.360 4.340 -0.000 0.000 0.266 244 R C -1.631 174.625 176.300 -0.073 0.000 1.044 244 R CA -1.010 55.038 56.100 -0.086 0.000 1.151 244 R CB -0.085 30.157 30.300 -0.097 0.000 1.037 244 R HN -0.104 nan 8.270 nan 0.000 0.478 245 P HA -0.183 nan 4.420 nan 0.000 0.216 245 P C -0.378 176.893 177.300 -0.047 0.000 1.150 245 P CA 1.351 64.423 63.100 -0.047 0.000 0.837 245 P CB 0.235 31.910 31.700 -0.043 0.000 0.786 246 E N -0.356 119.812 120.200 -0.053 0.000 2.255 246 E HA 0.274 4.624 4.350 -0.000 0.000 0.245 246 E C -2.599 173.949 176.600 -0.086 0.000 0.909 246 E CA -2.862 53.507 56.400 -0.052 0.000 0.747 246 E CB 0.887 30.568 29.700 -0.031 0.000 1.215 246 E HN -0.019 nan 8.360 nan 0.000 0.424 247 P HA 0.070 nan 4.420 nan 0.000 0.267 247 P C -0.583 176.579 177.300 -0.229 0.000 1.200 247 P CA 0.224 63.182 63.100 -0.236 0.000 0.772 247 P CB 0.398 31.976 31.700 -0.203 0.000 0.855 248 I N -0.877 119.488 120.570 -0.341 0.000 2.785 248 I HA 0.657 4.827 4.170 -0.000 0.000 0.302 248 I C -2.849 173.144 176.117 -0.207 0.000 1.069 248 I CA -3.567 57.628 61.300 -0.175 0.000 1.045 248 I CB 2.238 40.211 38.000 -0.044 0.000 1.236 248 I HN 0.043 nan 8.210 nan 0.000 0.429 249 P HA 0.121 nan 4.420 nan 0.000 0.265 249 P C -1.336 175.925 177.300 -0.064 0.000 1.193 249 P CA 0.467 63.479 63.100 -0.147 0.000 0.765 249 P CB 0.103 31.702 31.700 -0.169 0.000 0.823 250 F N 4.097 123.918 119.950 -0.215 0.000 2.496 250 F HA 0.397 4.923 4.527 -0.001 0.000 0.341 250 F C -1.168 174.607 175.800 -0.042 0.000 1.134 250 F CA -0.834 57.192 58.000 0.044 0.000 0.968 250 F CB 0.834 39.997 39.000 0.272 0.000 1.205 250 F HN 0.222 nan 8.300 nan 0.000 0.436 251 Y N 4.655 125.004 120.300 0.081 0.000 2.717 251 Y HA 0.551 5.100 4.550 -0.001 0.000 0.329 251 Y C 0.620 176.619 175.900 0.164 0.000 1.017 251 Y CA -0.966 57.229 58.100 0.158 0.000 1.275 251 Y CB 1.220 39.704 38.460 0.040 0.000 1.109 251 Y HN 0.689 nan 8.280 nan 0.000 0.511 252 G N 1.780 110.843 108.800 0.439 0.000 2.470 252 G HA2 0.527 4.486 3.960 -0.000 0.000 0.320 252 G HA3 0.527 4.486 3.960 -0.000 0.000 0.320 252 G C -1.066 174.078 174.900 0.407 0.000 1.245 252 G CA -0.775 44.641 45.100 0.527 0.000 0.935 252 G HN 0.338 nan 8.290 nan 0.000 0.476 253 E N 1.992 122.419 120.200 0.379 0.000 2.046 253 E HA 0.321 4.671 4.350 -0.000 0.000 0.279 253 E C 0.953 177.689 176.600 0.226 0.000 0.989 253 E CA -0.346 56.189 56.400 0.224 0.000 0.798 253 E CB 1.585 31.402 29.700 0.196 0.000 1.086 253 E HN 0.373 nan 8.360 nan 0.000 0.399 254 L N 1.339 122.637 121.223 0.125 0.000 2.463 254 L HA 0.462 4.802 4.340 -0.000 0.000 0.219 254 L C 0.944 177.836 176.870 0.037 0.000 1.088 254 L CA 0.148 55.047 54.840 0.098 0.000 0.849 254 L CB 0.127 42.163 42.059 -0.039 0.000 1.012 254 L HN 0.597 nan 8.230 nan 0.000 0.468 255 G N -0.231 108.576 108.800 0.012 0.000 2.350 255 G HA2 0.497 4.457 3.960 -0.000 0.000 0.305 255 G HA3 0.497 4.457 3.960 -0.000 0.000 0.305 255 G C -1.964 172.958 174.900 0.038 0.000 1.479 255 G CA -0.112 45.013 45.100 0.041 0.000 0.949 255 G HN 0.247 nan 8.290 nan 0.000 0.651 256 A N -0.992 121.884 122.820 0.094 0.000 2.583 256 A HA 0.740 5.060 4.320 -0.000 0.000 0.292 256 A C -0.007 177.670 177.584 0.155 0.000 1.045 256 A CA 0.232 52.334 52.037 0.107 0.000 0.672 256 A CB 0.588 19.644 19.000 0.092 0.000 1.283 256 A HN 2.212 nan 8.150 nan 0.000 0.419 257 I N -1.705 118.968 120.570 0.171 0.000 4.082 257 I HA 0.302 4.472 4.170 -0.000 0.000 0.337 257 I C 0.231 176.458 176.117 0.183 0.000 1.352 257 I CA -0.735 60.677 61.300 0.186 0.000 1.097 257 I CB -0.498 37.629 38.000 0.210 0.000 1.048 257 I HN 0.432 nan 8.210 nan 0.000 0.393 258 N N 2.382 121.193 118.700 0.184 0.000 2.629 258 N HA -0.117 4.623 4.740 -0.000 0.000 0.278 258 N C -2.216 173.408 175.510 0.190 0.000 1.102 258 N CA 0.723 53.888 53.050 0.192 0.000 0.759 258 N CB -1.150 37.459 38.487 0.205 0.000 0.911 258 N HN 0.411 nan 8.380 nan 0.000 0.553 259 P HA 0.016 nan 4.420 nan 0.000 0.265 259 P C -0.303 177.088 177.300 0.152 0.000 1.193 259 P CA 0.550 63.756 63.100 0.177 0.000 0.765 259 P CB 0.710 32.610 31.700 0.333 0.000 0.823 260 T N 3.986 118.528 114.554 -0.019 0.000 2.841 260 T HA 0.484 4.834 4.350 -0.000 0.000 0.285 260 T C -0.575 174.038 174.700 -0.145 0.000 0.991 260 T CA -0.095 62.029 62.100 0.039 0.000 0.966 260 T CB 0.264 69.195 68.868 0.104 0.000 0.962 260 T HN 0.088 nan 8.240 nan 0.000 0.438 261 F N 3.121 123.127 119.950 0.094 0.000 2.388 261 F HA 0.567 5.093 4.527 -0.000 0.000 0.358 261 F C 0.265 176.067 175.800 0.003 0.000 1.122 261 F CA -1.152 56.870 58.000 0.037 0.000 1.056 261 F CB 0.837 39.860 39.000 0.040 0.000 1.155 261 F HN 0.339 nan 8.300 nan 0.000 0.461 262 I N 4.568 125.126 120.570 -0.019 0.000 2.382 262 I HA 0.295 4.465 4.170 -0.000 0.000 0.286 262 I C -0.697 175.358 176.117 -0.103 0.000 1.002 262 I CA -0.593 60.680 61.300 -0.045 0.000 1.135 262 I CB 0.941 38.762 38.000 -0.298 0.000 1.288 262 I HN 0.334 nan 8.210 nan 0.000 0.448 263 F N 7.345 127.282 119.950 -0.020 0.000 2.382 263 F HA 0.306 4.832 4.527 -0.001 0.000 0.331 263 F C -1.274 174.500 175.800 -0.043 0.000 1.121 263 F CA -1.671 56.322 58.000 -0.011 0.000 1.183 263 F CB 0.264 39.279 39.000 0.026 0.000 1.207 263 F HN 0.312 nan 8.300 nan 0.000 0.555 264 P HA -0.222 nan 4.420 nan 0.000 0.215 264 P C 1.631 178.973 177.300 0.069 0.000 1.157 264 P CA 2.437 65.571 63.100 0.057 0.000 0.874 264 P CB -0.016 31.717 31.700 0.055 0.000 0.790 265 S N -0.668 115.091 115.700 0.100 0.000 2.399 265 S HA -0.155 4.315 4.470 -0.000 0.000 0.231 265 S C 2.072 176.706 174.600 0.057 0.000 1.022 265 S CA 1.255 59.492 58.200 0.062 0.000 0.983 265 S CB -1.416 61.809 63.200 0.041 0.000 0.803 265 S HN 0.128 nan 8.310 nan 0.000 0.480 266 A N 1.839 124.706 122.820 0.078 0.000 1.930 266 A HA 0.167 4.487 4.320 -0.000 0.000 0.217 266 A C 2.345 179.959 177.584 0.051 0.000 1.175 266 A CA 1.465 53.540 52.037 0.064 0.000 0.627 266 A CB -0.695 18.357 19.000 0.086 0.000 0.815 266 A HN 0.593 nan 8.150 nan 0.000 0.443 267 M N -1.177 118.443 119.600 0.034 0.000 2.319 267 M HA -0.082 4.397 4.480 -0.000 0.000 0.265 267 M C 2.250 178.588 176.300 0.063 0.000 1.068 267 M CA 1.072 56.399 55.300 0.045 0.000 1.118 267 M CB -0.196 32.405 32.600 0.002 0.000 1.395 267 M HN 0.359 nan 8.290 nan 0.000 0.435 268 R N -0.078 120.451 120.500 0.049 0.000 2.119 268 R HA 0.063 4.403 4.340 -0.000 0.000 0.222 268 R C 2.281 178.608 176.300 0.044 0.000 1.088 268 R CA 1.186 57.313 56.100 0.044 0.000 0.984 268 R CB -0.301 30.020 30.300 0.034 0.000 0.884 268 R HN 0.301 nan 8.270 nan 0.000 0.447 269 A N 1.358 124.206 122.820 0.046 0.000 1.968 269 A HA -0.037 4.283 4.320 -0.000 0.000 0.217 269 A C 0.601 178.219 177.584 0.057 0.000 1.169 269 A CA 0.911 52.975 52.037 0.045 0.000 0.638 269 A CB 0.168 19.192 19.000 0.041 0.000 0.812 269 A HN 0.088 nan 8.150 nan 0.000 0.446 270 K N -0.443 120.000 120.400 0.072 0.000 2.572 270 K HA 0.526 4.846 4.320 -0.000 0.000 0.244 270 K C 0.492 177.147 176.600 0.092 0.000 0.965 270 K CA 0.180 56.519 56.287 0.086 0.000 0.943 270 K CB 1.602 34.168 32.500 0.110 0.000 1.154 270 K HN 0.158 nan 8.250 nan 0.000 0.447 271 A N 2.325 125.187 122.820 0.071 0.000 2.019 271 A HA -0.157 4.162 4.320 -0.000 0.000 0.219 271 A C 1.227 178.847 177.584 0.060 0.000 1.164 271 A CA 1.651 53.725 52.037 0.063 0.000 0.644 271 A CB -0.195 18.829 19.000 0.041 0.000 0.805 271 A HN 0.788 nan 8.150 nan 0.000 0.449 272 D N -0.800 119.638 120.400 0.064 0.000 2.395 272 D HA 0.088 4.727 4.640 -0.000 0.000 0.226 272 D C 1.160 177.508 176.300 0.079 0.000 1.146 272 D CA -0.288 53.739 54.000 0.044 0.000 0.830 272 D CB -0.166 40.653 40.800 0.032 0.000 0.958 272 D HN 0.213 nan 8.370 nan 0.000 0.501 273 L N 1.407 122.720 121.223 0.152 0.000 2.046 273 L HA -0.036 4.304 4.340 -0.000 0.000 0.208 273 L C 2.373 179.396 176.870 0.255 0.000 1.077 273 L CA 1.832 56.837 54.840 0.276 0.000 0.747 273 L CB -0.801 41.457 42.059 0.332 0.000 0.896 273 L HN 0.158 nan 8.230 nan 0.000 0.432 274 A N -0.888 121.919 122.820 -0.022 0.000 1.933 274 A HA -0.251 4.069 4.320 -0.000 0.000 0.218 274 A C 1.921 179.338 177.584 -0.278 0.000 1.175 274 A CA 2.000 53.690 52.037 -0.578 0.000 0.628 274 A CB -0.905 17.622 19.000 -0.789 0.000 0.814 274 A HN 0.548 nan 8.150 nan 0.000 0.444 275 D N -0.622 119.674 120.400 -0.172 0.000 2.117 275 D HA -0.147 4.493 4.640 -0.000 0.000 0.197 275 D C 2.210 178.384 176.300 -0.211 0.000 0.987 275 D CA 1.482 55.380 54.000 -0.169 0.000 0.829 275 D CB -0.181 40.556 40.800 -0.104 0.000 0.961 275 D HN 0.593 nan 8.370 nan 0.000 0.460 276 Q N -0.711 118.996 119.800 -0.156 0.000 2.079 276 Q HA -0.136 4.204 4.340 -0.000 0.000 0.200 276 Q C 1.880 177.420 176.000 -0.766 0.000 0.974 276 Q CA 0.736 56.359 55.803 -0.301 0.000 0.840 276 Q CB -0.155 28.607 28.738 0.040 0.000 0.898 276 Q HN 0.322 nan 8.270 nan 0.000 0.430 277 F N 0.968 120.440 119.950 -0.797 0.000 2.069 277 F HA -0.219 4.307 4.527 -0.001 0.000 0.298 277 F C 1.952 177.382 175.800 -0.617 0.000 1.113 277 F CA 1.195 58.626 58.000 -0.949 0.000 1.214 277 F CB -0.613 38.213 39.000 -0.290 0.000 0.978 277 F HN -0.204 nan 8.300 nan 0.000 0.474 278 V N 0.865 120.320 119.914 -0.765 0.000 2.392 278 V HA -0.301 3.818 4.120 -0.000 0.000 0.249 278 V C 2.807 178.563 176.094 -0.564 0.000 1.059 278 V CA 1.797 63.660 62.300 -0.729 0.000 1.051 278 V CB -1.716 29.836 31.823 -0.451 0.000 0.658 278 V HN 0.534 nan 8.190 nan 0.000 0.455 279 A N -0.825 121.705 122.820 -0.484 0.000 1.933 279 A HA -0.220 4.100 4.320 -0.000 0.000 0.218 279 A C 2.555 179.882 177.584 -0.429 0.000 1.175 279 A CA 2.166 53.971 52.037 -0.386 0.000 0.628 279 A CB -0.681 18.132 19.000 -0.312 0.000 0.814 279 A HN 0.487 nan 8.150 nan 0.000 0.444 280 S N -0.018 115.345 115.700 -0.562 0.000 2.355 280 S HA -0.179 4.291 4.470 -0.000 0.000 0.222 280 S C 2.177 176.541 174.600 -0.394 0.000 1.031 280 S CA 1.786 59.706 58.200 -0.467 0.000 0.993 280 S CB -0.505 62.376 63.200 -0.532 0.000 0.859 280 S HN 0.681 nan 8.310 nan 0.000 0.453 281 M N 0.881 120.193 119.600 -0.481 0.000 2.476 281 M HA 0.070 4.550 4.480 -0.000 0.000 0.262 281 M C 1.503 177.611 176.300 -0.320 0.000 1.079 281 M CA 1.687 56.760 55.300 -0.379 0.000 1.104 281 M CB -0.737 31.538 32.600 -0.543 0.000 1.409 281 M HN 0.349 nan 8.290 nan 0.000 0.467 282 T N -2.602 111.745 114.554 -0.345 0.000 3.054 282 T HA 0.339 4.689 4.350 -0.000 0.000 0.255 282 T C 0.561 175.115 174.700 -0.243 0.000 1.035 282 T CA -0.475 61.464 62.100 -0.269 0.000 0.941 282 T CB -0.094 68.623 68.868 -0.252 0.000 1.026 282 T HN 0.434 nan 8.240 nan 0.000 0.533 283 M N 2.358 121.771 119.600 -0.312 0.000 2.252 283 M HA 0.356 4.836 4.480 -0.000 0.000 0.348 283 M C 1.259 177.451 176.300 -0.181 0.000 1.334 283 M CA 1.335 56.429 55.300 -0.343 0.000 1.071 283 M CB -0.097 32.113 32.600 -0.650 0.000 1.763 283 M HN 0.593 nan 8.290 nan 0.000 0.452 284 G N 3.750 112.549 108.800 -0.002 0.000 2.283 284 G HA2 -0.284 3.675 3.960 -0.000 0.000 0.280 284 G HA3 -0.284 3.675 3.960 -0.000 0.000 0.280 284 G C 0.435 175.331 174.900 -0.006 0.000 1.029 284 G CA 0.069 45.249 45.100 0.132 0.000 0.840 284 G HN 1.105 nan 8.290 nan 0.000 0.505 285 C N -2.226 117.019 119.300 -0.092 0.000 4.365 285 C HA 0.002 4.462 4.460 -0.000 0.000 0.299 285 C C 2.406 177.260 174.990 -0.226 0.000 1.409 285 C CA 1.391 60.310 59.018 -0.164 0.000 2.007 285 C CB -1.843 25.795 27.740 -0.169 0.000 1.264 285 C HN 2.725 nan 8.230 nan 0.000 0.777 286 G N -0.526 108.164 108.800 -0.182 0.000 2.155 286 G HA2 -0.319 3.640 3.960 -0.000 0.000 0.257 286 G HA3 -0.319 3.640 3.960 -0.000 0.000 0.257 286 G C 0.139 174.860 174.900 -0.297 0.000 0.983 286 G CA 0.713 45.689 45.100 -0.207 0.000 0.676 286 G HN 0.852 nan 8.290 nan 0.000 0.528 287 Q N -0.485 119.177 119.800 -0.230 0.000 2.642 287 Q HA 0.496 4.836 4.340 -0.000 0.000 0.319 287 Q C -0.575 175.498 176.000 0.122 0.000 1.030 287 Q CA -0.035 55.502 55.803 -0.443 0.000 0.943 287 Q CB 0.078 28.672 28.738 -0.241 0.000 1.323 287 Q HN 0.412 nan 8.270 nan 0.000 0.419 288 F N -0.731 119.220 119.950 0.001 0.000 2.495 288 F HA 0.147 4.673 4.527 -0.000 0.000 0.327 288 F C 1.225 177.188 175.800 0.272 0.000 1.103 288 F CA -1.683 56.455 58.000 0.231 0.000 0.949 288 F CB 1.052 40.153 39.000 0.169 0.000 1.142 288 F HN 0.269 nan 8.300 nan 0.000 0.457 289 C N -1.485 118.046 119.300 0.385 0.000 2.432 289 C HA -0.044 4.416 4.460 -0.000 0.000 0.282 289 C C 1.881 177.043 174.990 0.286 0.000 1.388 289 C CA 0.894 60.097 59.018 0.308 0.000 1.777 289 C CB -1.948 25.890 27.740 0.163 0.000 1.882 289 C HN 0.870 nan 8.230 nan 0.000 0.520 290 T N -2.384 112.375 114.554 0.342 0.000 3.122 290 T HA 0.116 4.466 4.350 -0.000 0.000 0.250 290 T C 0.474 175.348 174.700 0.289 0.000 1.067 290 T CA -0.202 62.084 62.100 0.311 0.000 0.966 290 T CB -0.311 68.765 68.868 0.347 0.000 1.002 290 T HN 0.664 nan 8.240 nan 0.000 0.542 291 K N 3.509 124.078 120.400 0.282 0.000 2.484 291 K HA 0.086 4.405 4.320 -0.000 0.000 0.280 291 K C -2.401 174.320 176.600 0.201 0.000 1.013 291 K CA -1.525 54.875 56.287 0.189 0.000 1.029 291 K CB 0.410 32.989 32.500 0.131 0.000 0.902 291 K HN 0.107 nan 8.250 nan 0.000 0.481 292 P HA 0.023 nan 4.420 nan 0.000 0.268 292 P C 0.126 177.577 177.300 0.251 0.000 1.282 292 P CA 0.020 63.300 63.100 0.300 0.000 0.880 292 P CB 0.749 32.747 31.700 0.498 0.000 0.971 293 G N 2.738 111.650 108.800 0.187 0.000 2.683 293 G HA2 0.122 4.082 3.960 -0.000 0.000 0.213 293 G HA3 0.122 4.082 3.960 -0.000 0.000 0.213 293 G C 0.060 175.006 174.900 0.076 0.000 1.142 293 G CA 0.206 45.395 45.100 0.149 0.000 0.793 293 G HN 0.516 nan 8.290 nan 0.000 0.534 294 V N 0.260 120.163 119.914 -0.018 0.000 2.817 294 V HA 0.576 4.696 4.120 -0.000 0.000 0.303 294 V C -1.537 174.267 176.094 -0.483 0.000 1.151 294 V CA -0.683 61.432 62.300 -0.309 0.000 0.929 294 V CB 2.367 33.888 31.823 -0.503 0.000 1.030 294 V HN -0.104 nan 8.190 nan 0.000 0.427 295 V N 7.324 126.866 119.914 -0.620 0.000 2.448 295 V HA 0.580 4.700 4.120 -0.000 0.000 0.295 295 V C -0.715 174.869 176.094 -0.850 0.000 1.025 295 V CA -0.442 61.484 62.300 -0.624 0.000 0.859 295 V CB 1.607 33.094 31.823 -0.559 0.000 0.988 295 V HN 0.723 nan 8.190 nan 0.000 0.431 296 F N 3.370 122.963 119.950 -0.595 0.000 2.415 296 F HA 0.820 5.347 4.527 -0.000 0.000 0.348 296 F C 0.523 176.071 175.800 -0.421 0.000 1.119 296 F CA -0.241 57.428 58.000 -0.550 0.000 1.069 296 F CB 1.727 40.287 39.000 -0.734 0.000 1.124 296 F HN 0.597 nan 8.300 nan 0.000 0.472 297 A N 3.545 126.247 122.820 -0.196 0.000 2.566 297 A HA 0.838 5.157 4.320 -0.000 0.000 0.292 297 A C -1.224 176.264 177.584 -0.161 0.000 1.112 297 A CA -0.823 51.072 52.037 -0.236 0.000 0.707 297 A CB 1.288 20.088 19.000 -0.332 0.000 1.302 297 A HN 0.690 nan 8.150 nan 0.000 0.409 298 L N 0.663 121.789 121.223 -0.161 0.000 2.421 298 L HA 0.325 4.665 4.340 -0.000 0.000 0.263 298 L C 0.953 177.783 176.870 -0.066 0.000 1.122 298 L CA -0.402 54.379 54.840 -0.099 0.000 0.804 298 L CB 0.756 42.761 42.059 -0.089 0.000 1.150 298 L HN 0.910 nan 8.230 nan 0.000 0.457 299 N N 0.897 119.576 118.700 -0.035 0.000 3.050 299 N HA 0.041 4.781 4.740 -0.000 0.000 0.289 299 N C -0.603 174.901 175.510 -0.010 0.000 1.209 299 N CA -0.270 52.770 53.050 -0.017 0.000 1.154 299 N CB 0.149 38.635 38.487 -0.001 0.000 1.444 299 N HN 0.705 nan 8.380 nan 0.000 0.529 300 T N -1.518 113.027 114.554 -0.015 0.000 2.888 300 T HA 0.404 4.754 4.350 -0.000 0.000 0.288 300 T C -2.130 172.572 174.700 0.003 0.000 1.063 300 T CA -1.727 60.371 62.100 -0.004 0.000 1.010 300 T CB 1.731 70.597 68.868 -0.004 0.000 1.214 300 T HN -0.117 nan 8.240 nan 0.000 0.533 301 P HA -0.013 nan 4.420 nan 0.000 0.217 301 P C 1.112 178.429 177.300 0.027 0.000 1.150 301 P CA 0.985 64.095 63.100 0.018 0.000 0.832 301 P CB 0.055 31.765 31.700 0.018 0.000 0.787 302 E N -1.133 119.082 120.200 0.025 0.000 2.085 302 E HA -0.141 4.209 4.350 -0.000 0.000 0.194 302 E C 1.975 178.608 176.600 0.055 0.000 0.994 302 E CA 1.692 58.115 56.400 0.039 0.000 0.801 302 E CB -1.327 28.386 29.700 0.022 0.000 0.743 302 E HN 0.215 nan 8.360 nan 0.000 0.453 303 T N 1.121 115.680 114.554 0.008 0.000 2.777 303 T HA -0.197 4.153 4.350 -0.000 0.000 0.266 303 T C 1.855 176.600 174.700 0.076 0.000 1.040 303 T CA 1.570 63.667 62.100 -0.005 0.000 1.141 303 T CB -0.296 68.532 68.868 -0.067 0.000 0.868 303 T HN 0.413 nan 8.240 nan 0.000 0.444 304 Q N 1.137 120.965 119.800 0.047 0.000 2.170 304 Q HA 0.023 4.363 4.340 -0.000 0.000 0.203 304 Q C 2.380 178.417 176.000 0.062 0.000 0.976 304 Q CA 1.459 57.290 55.803 0.047 0.000 0.858 304 Q CB -0.413 28.340 28.738 0.026 0.000 0.907 304 Q HN 0.486 nan 8.270 nan 0.000 0.433 305 A N 0.720 123.585 122.820 0.075 0.000 1.929 305 A HA -0.059 4.261 4.320 -0.000 0.000 0.216 305 A C 1.859 179.501 177.584 0.096 0.000 1.176 305 A CA 0.813 52.890 52.037 0.067 0.000 0.628 305 A CB -0.786 18.251 19.000 0.062 0.000 0.816 305 A HN 0.505 nan 8.150 nan 0.000 0.444 306 F N 0.930 120.868 119.950 -0.021 0.000 2.069 306 F HA -0.205 4.322 4.527 -0.000 0.000 0.298 306 F C 1.986 177.774 175.800 -0.019 0.000 1.113 306 F CA 1.981 59.968 58.000 -0.022 0.000 1.214 306 F CB -0.208 38.766 39.000 -0.045 0.000 0.978 306 F HN 0.184 nan 8.300 nan 0.000 0.474 307 I N 0.336 121.033 120.570 0.212 0.000 2.163 307 I HA -0.313 3.857 4.170 -0.000 0.000 0.243 307 I C 2.275 178.378 176.117 -0.022 0.000 1.085 307 I CA 1.882 63.234 61.300 0.087 0.000 1.347 307 I CB -0.650 37.400 38.000 0.083 0.000 1.044 307 I HN 0.256 nan 8.210 nan 0.000 0.408 308 E N 0.147 120.337 120.200 -0.016 0.000 2.110 308 E HA -0.173 4.177 4.350 -0.000 0.000 0.193 308 E C 2.133 178.688 176.600 -0.074 0.000 0.988 308 E CA 1.745 58.121 56.400 -0.040 0.000 0.804 308 E CB -0.155 29.532 29.700 -0.021 0.000 0.745 308 E HN 0.487 nan 8.360 nan 0.000 0.458 309 T N 0.931 115.425 114.554 -0.100 0.000 2.737 309 T HA -0.116 4.234 4.350 -0.000 0.000 0.265 309 T C 2.038 176.629 174.700 -0.180 0.000 1.038 309 T CA 1.193 63.211 62.100 -0.136 0.000 1.144 309 T CB -0.193 68.580 68.868 -0.158 0.000 0.866 309 T HN 0.244 nan 8.240 nan 0.000 0.434 310 A N 1.376 124.050 122.820 -0.243 0.000 1.902 310 A HA -0.168 4.152 4.320 -0.000 0.000 0.217 310 A C 2.284 179.775 177.584 -0.155 0.000 1.181 310 A CA 1.582 53.484 52.037 -0.224 0.000 0.623 310 A CB -0.714 18.172 19.000 -0.190 0.000 0.818 310 A HN 0.526 nan 8.150 nan 0.000 0.443 311 Q N -0.776 118.951 119.800 -0.122 0.000 2.096 311 Q HA -0.161 4.178 4.340 -0.000 0.000 0.204 311 Q C 2.469 178.404 176.000 -0.109 0.000 0.982 311 Q CA 1.745 57.479 55.803 -0.114 0.000 0.850 311 Q CB -0.249 28.432 28.738 -0.095 0.000 0.901 311 Q HN 0.681 nan 8.270 nan 0.000 0.422 312 S N 0.228 115.868 115.700 -0.100 0.000 2.368 312 S HA -0.091 4.379 4.470 -0.000 0.000 0.225 312 S C 1.873 176.415 174.600 -0.096 0.000 1.030 312 S CA 0.769 58.917 58.200 -0.086 0.000 0.999 312 S CB -0.122 63.032 63.200 -0.076 0.000 0.844 312 S HN 0.291 nan 8.310 nan 0.000 0.459 313 L N 1.059 122.210 121.223 -0.120 0.000 2.056 313 L HA -0.068 4.271 4.340 -0.000 0.000 0.207 313 L C 2.436 179.228 176.870 -0.130 0.000 1.078 313 L CA 0.786 55.548 54.840 -0.130 0.000 0.749 313 L CB -0.531 41.428 42.059 -0.167 0.000 0.901 313 L HN 0.337 nan 8.230 nan 0.000 0.433 314 I N 0.154 120.639 120.570 -0.141 0.000 2.163 314 I HA -0.283 3.887 4.170 -0.000 0.000 0.243 314 I C 2.713 178.776 176.117 -0.090 0.000 1.085 314 I CA 1.597 62.818 61.300 -0.132 0.000 1.347 314 I CB -1.061 36.849 38.000 -0.151 0.000 1.044 314 I HN 0.319 nan 8.210 nan 0.000 0.408 315 R N 0.394 120.846 120.500 -0.080 0.000 2.105 315 R HA -0.206 4.133 4.340 -0.000 0.000 0.239 315 R C 2.150 178.423 176.300 -0.046 0.000 1.135 315 R CA 1.305 57.374 56.100 -0.051 0.000 0.967 315 R CB -0.323 29.947 30.300 -0.050 0.000 0.861 315 R HN 0.573 nan 8.270 nan 0.000 0.442 316 Q N 0.413 120.178 119.800 -0.059 0.000 2.245 316 Q HA -0.089 4.251 4.340 -0.000 0.000 0.201 316 Q C 0.525 176.492 176.000 -0.056 0.000 0.955 316 Q CA 0.152 55.922 55.803 -0.055 0.000 0.870 316 Q CB 0.044 28.745 28.738 -0.062 0.000 0.945 316 Q HN 0.101 nan 8.270 nan 0.000 0.461 317 Q N 2.040 121.799 119.800 -0.069 0.000 2.368 317 Q HA -0.081 4.259 4.340 -0.000 0.000 0.331 317 Q C -0.476 175.493 176.000 -0.052 0.000 1.086 317 Q CA 0.177 55.937 55.803 -0.072 0.000 1.031 317 Q CB 0.473 29.159 28.738 -0.086 0.000 1.125 317 Q HN 0.271 nan 8.270 nan 0.000 0.389 318 S N 4.070 119.739 115.700 -0.052 0.000 2.600 318 S HA 0.553 5.022 4.470 -0.000 0.000 0.265 318 S C -2.276 172.303 174.600 -0.035 0.000 1.325 318 S CA -1.259 56.919 58.200 -0.037 0.000 1.002 318 S CB 0.589 63.769 63.200 -0.033 0.000 0.921 318 S HN 0.570 nan 8.310 nan 0.000 0.554 319 P HA 0.274 nan 4.420 nan 0.000 0.268 319 P C -0.878 176.404 177.300 -0.030 0.000 1.205 319 P CA -0.090 62.997 63.100 -0.021 0.000 0.771 319 P CB 0.598 32.293 31.700 -0.009 0.000 0.858 320 S N 1.119 116.787 115.700 -0.052 0.000 2.501 320 S HA 0.496 4.966 4.470 -0.000 0.000 0.301 320 S C -0.321 174.231 174.600 -0.081 0.000 1.096 320 S CA -0.524 57.628 58.200 -0.081 0.000 1.063 320 S CB 0.981 64.094 63.200 -0.144 0.000 1.042 320 S HN 0.283 nan 8.310 nan 0.000 0.494 321 T N 3.728 118.231 114.554 -0.085 0.000 2.770 321 T HA 0.418 4.767 4.350 -0.000 0.000 0.297 321 T C 0.134 174.735 174.700 -0.165 0.000 0.997 321 T CA -0.452 61.578 62.100 -0.116 0.000 0.949 321 T CB 0.049 68.831 68.868 -0.144 0.000 0.941 321 T HN 0.348 nan 8.240 nan 0.000 0.457 322 L N 3.216 124.354 121.223 -0.142 0.000 2.456 322 L HA 0.360 4.700 4.340 -0.000 0.000 0.257 322 L C 1.876 178.675 176.870 -0.119 0.000 1.162 322 L CA -0.744 54.022 54.840 -0.124 0.000 0.808 322 L CB 0.345 42.354 42.059 -0.084 0.000 1.136 322 L HN 0.591 nan 8.230 nan 0.000 0.466 323 L N 0.072 121.253 121.223 -0.070 0.000 2.051 323 L HA -0.175 4.165 4.340 -0.000 0.000 0.214 323 L C 1.061 177.890 176.870 -0.068 0.000 1.076 323 L CA 1.792 56.586 54.840 -0.076 0.000 0.758 323 L CB -0.811 41.239 42.059 -0.015 0.000 0.890 323 L HN 0.890 nan 8.230 nan 0.000 0.433 324 T N -7.320 107.223 114.554 -0.019 0.000 2.843 324 T HA 0.361 4.710 4.350 -0.000 0.000 0.302 324 T C -2.421 172.290 174.700 0.018 0.000 1.232 324 T CA -1.561 60.539 62.100 0.001 0.000 1.009 324 T CB 1.792 70.683 68.868 0.039 0.000 1.254 324 T HN -0.355 nan 8.240 nan 0.000 0.504 325 P HA 0.063 nan 4.420 nan 0.000 0.217 325 P C 1.760 179.092 177.300 0.054 0.000 1.150 325 P CA 1.361 64.481 63.100 0.034 0.000 0.832 325 P CB -0.324 31.397 31.700 0.036 0.000 0.787 326 G N -0.153 108.684 108.800 0.063 0.000 2.421 326 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.216 326 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.216 326 G C 1.523 176.481 174.900 0.096 0.000 1.171 326 G CA 0.489 45.633 45.100 0.074 0.000 0.775 326 G HN 0.221 nan 8.290 nan 0.000 0.543 327 I N 0.348 120.982 120.570 0.106 0.000 2.361 327 I HA -0.145 4.025 4.170 -0.000 0.000 0.251 327 I C 2.829 179.049 176.117 0.170 0.000 1.133 327 I CA 1.052 62.445 61.300 0.156 0.000 1.413 327 I CB -0.190 37.915 38.000 0.175 0.000 1.073 327 I HN 0.153 nan 8.210 nan 0.000 0.424 328 R N 1.142 121.710 120.500 0.114 0.000 2.070 328 R HA -0.200 4.139 4.340 -0.000 0.000 0.233 328 R C 1.832 178.227 176.300 0.159 0.000 1.137 328 R CA 2.147 58.316 56.100 0.115 0.000 0.945 328 R CB -0.244 30.090 30.300 0.058 0.000 0.845 328 R HN 0.277 nan 8.270 nan 0.000 0.430 329 D N 0.205 120.674 120.400 0.115 0.000 2.092 329 D HA -0.118 4.522 4.640 -0.000 0.000 0.193 329 D C 2.038 178.407 176.300 0.114 0.000 0.994 329 D CA 1.609 55.668 54.000 0.098 0.000 0.828 329 D CB -0.422 40.421 40.800 0.071 0.000 0.963 329 D HN 0.180 nan 8.370 nan 0.000 0.450 330 S N -0.070 115.709 115.700 0.132 0.000 2.374 330 S HA -0.217 4.253 4.470 -0.000 0.000 0.227 330 S C 1.829 176.523 174.600 0.158 0.000 1.037 330 S CA 0.966 59.247 58.200 0.134 0.000 1.024 330 S CB -0.461 62.828 63.200 0.150 0.000 0.861 330 S HN 0.352 nan 8.310 nan 0.000 0.456 331 Y N 2.207 122.568 120.300 0.101 0.000 2.114 331 Y HA -0.218 4.331 4.550 -0.001 0.000 0.284 331 Y C 2.447 178.402 175.900 0.093 0.000 1.143 331 Y CA 1.847 60.011 58.100 0.106 0.000 1.135 331 Y CB -0.673 37.842 38.460 0.092 0.000 0.980 331 Y HN 0.263 nan 8.280 nan 0.000 0.499 332 Q N -0.764 119.079 119.800 0.071 0.000 2.061 332 Q HA -0.239 4.101 4.340 -0.000 0.000 0.204 332 Q C 2.578 178.533 176.000 -0.075 0.000 0.984 332 Q CA 1.950 57.729 55.803 -0.041 0.000 0.846 332 Q CB -0.494 28.273 28.738 0.048 0.000 0.902 332 Q HN 0.472 nan 8.270 nan 0.000 0.421 333 S N 0.377 116.069 115.700 -0.014 0.000 2.356 333 S HA -0.220 4.250 4.470 -0.000 0.000 0.223 333 S C 1.905 176.499 174.600 -0.009 0.000 1.032 333 S CA 1.501 59.700 58.200 -0.002 0.000 1.005 333 S CB -0.021 63.194 63.200 0.025 0.000 0.867 333 S HN 0.344 nan 8.310 nan 0.000 0.449 334 Q N 0.300 120.085 119.800 -0.025 0.000 2.123 334 Q HA -0.054 4.286 4.340 -0.000 0.000 0.199 334 Q C 2.395 178.370 176.000 -0.041 0.000 0.966 334 Q CA 1.730 57.519 55.803 -0.024 0.000 0.845 334 Q CB -0.400 28.335 28.738 -0.005 0.000 0.907 334 Q HN 0.717 nan 8.270 nan 0.000 0.439 335 V N -1.351 118.502 119.914 -0.102 0.000 2.427 335 V HA -0.164 3.956 4.120 -0.000 0.000 0.248 335 V C 2.290 178.549 176.094 0.275 0.000 1.051 335 V CA 1.420 63.784 62.300 0.108 0.000 1.048 335 V CB -1.306 30.508 31.823 -0.015 0.000 0.666 335 V HN 0.307 nan 8.190 nan 0.000 0.456 336 V N -1.038 118.950 119.914 0.123 0.000 2.358 336 V HA -0.126 3.994 4.120 -0.000 0.000 0.246 336 V C 2.471 178.643 176.094 0.130 0.000 1.047 336 V CA 2.248 64.633 62.300 0.142 0.000 1.035 336 V CB -1.340 30.495 31.823 0.020 0.000 0.658 336 V HN 0.477 nan 8.190 nan 0.000 0.452 337 S N 0.276 116.022 115.700 0.077 0.000 2.359 337 S HA -0.202 4.268 4.470 -0.000 0.000 0.224 337 S C 2.140 176.786 174.600 0.076 0.000 1.035 337 S CA 2.203 60.445 58.200 0.070 0.000 1.018 337 S CB -0.529 62.702 63.200 0.051 0.000 0.876 337 S HN 0.695 nan 8.310 nan 0.000 0.448 338 R N 0.693 121.210 120.500 0.029 0.000 2.092 338 R HA -0.055 4.285 4.340 -0.000 0.000 0.231 338 R C 2.333 178.621 176.300 -0.019 0.000 1.119 338 R CA 1.270 57.313 56.100 -0.095 0.000 0.970 338 R CB -0.601 29.432 30.300 -0.445 0.000 0.864 338 R HN 0.440 nan 8.270 nan 0.000 0.440 339 G N -1.042 107.905 108.800 0.245 0.000 2.509 339 G HA2 -0.150 3.809 3.960 -0.000 0.000 0.218 339 G HA3 -0.150 3.809 3.960 -0.000 0.000 0.218 339 G C 1.132 176.122 174.900 0.151 0.000 1.124 339 G CA 0.574 45.860 45.100 0.311 0.000 0.776 339 G HN 0.294 nan 8.290 nan 0.000 0.547 340 S N 0.371 116.150 115.700 0.131 0.000 2.528 340 S HA 0.087 4.557 4.470 -0.000 0.000 0.219 340 S C 0.589 175.255 174.600 0.110 0.000 0.985 340 S CA -0.274 57.990 58.200 0.107 0.000 0.914 340 S CB 0.072 63.330 63.200 0.097 0.000 0.776 340 S HN 0.325 nan 8.310 nan 0.000 0.526 341 D N 3.172 123.647 120.400 0.126 0.000 2.378 341 D HA 0.048 4.688 4.640 -0.000 0.000 0.238 341 D C -0.034 176.365 176.300 0.165 0.000 1.180 341 D CA 0.148 54.257 54.000 0.180 0.000 0.895 341 D CB 0.331 41.316 40.800 0.308 0.000 1.192 341 D HN 0.334 nan 8.370 nan 0.000 0.438 342 D N -0.745 119.767 120.400 0.187 0.000 2.351 342 D HA 0.260 4.900 4.640 -0.000 0.000 0.251 342 D C 0.983 177.399 176.300 0.194 0.000 1.137 342 D CA -0.335 53.767 54.000 0.170 0.000 0.879 342 D CB 0.969 41.879 40.800 0.184 0.000 1.181 342 D HN 0.563 nan 8.370 nan 0.000 0.448 343 G N 1.914 110.817 108.800 0.171 0.000 2.143 343 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.248 343 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.248 343 G C 0.015 175.041 174.900 0.210 0.000 0.991 343 G CA 0.227 45.448 45.100 0.202 0.000 0.689 343 G HN 0.678 nan 8.290 nan 0.000 0.522 344 I N 0.627 121.257 120.570 0.101 0.000 2.499 344 I HA 0.431 4.601 4.170 -0.000 0.000 0.288 344 I C -1.090 175.015 176.117 -0.020 0.000 1.048 344 I CA -1.014 60.252 61.300 -0.057 0.000 1.062 344 I CB 1.523 39.285 38.000 -0.397 0.000 1.238 344 I HN 0.124 nan 8.210 nan 0.000 0.426 345 D N 6.675 127.055 120.400 -0.032 0.000 2.163 345 D HA 0.429 5.068 4.640 -0.000 0.000 0.248 345 D C -1.663 174.540 176.300 -0.161 0.000 1.035 345 D CA -0.210 53.750 54.000 -0.067 0.000 0.872 345 D CB 2.544 43.308 40.800 -0.060 0.000 1.183 345 D HN 0.334 nan 8.370 nan 0.000 0.445 346 V N 2.267 122.001 119.914 -0.299 0.000 2.841 346 V HA 0.500 4.620 4.120 -0.000 0.000 0.310 346 V C -1.048 174.651 176.094 -0.659 0.000 1.090 346 V CA -0.259 61.627 62.300 -0.691 0.000 0.930 346 V CB 2.360 33.560 31.823 -1.038 0.000 1.014 346 V HN 0.690 nan 8.190 nan 0.000 0.425 347 T N 7.068 121.179 114.554 -0.739 0.000 2.812 347 T HA 0.668 5.018 4.350 -0.000 0.000 0.282 347 T C -1.086 173.276 174.700 -0.564 0.000 0.990 347 T CA 0.017 61.826 62.100 -0.484 0.000 0.960 347 T CB 0.845 69.540 68.868 -0.287 0.000 0.948 347 T HN 0.411 nan 8.240 nan 0.000 0.438 348 F N 1.782 121.628 119.950 -0.174 0.000 2.507 348 F HA 0.617 5.143 4.527 -0.001 0.000 0.327 348 F C 1.148 176.889 175.800 -0.098 0.000 1.068 348 F CA -0.949 56.968 58.000 -0.139 0.000 0.965 348 F CB 1.602 40.535 39.000 -0.112 0.000 1.192 348 F HN 0.572 nan 8.300 nan 0.000 0.476 349 S N 0.540 116.331 115.700 0.152 0.000 2.713 349 S HA 0.390 4.860 4.470 -0.000 0.000 0.277 349 S C -0.566 174.062 174.600 0.047 0.000 1.168 349 S CA -0.889 57.342 58.200 0.051 0.000 0.994 349 S CB 1.179 64.389 63.200 0.016 0.000 1.054 349 S HN 0.692 nan 8.310 nan 0.000 0.555 350 Q N 0.193 119.999 119.800 0.010 0.000 2.278 350 Q HA 0.604 4.944 4.340 -0.000 0.000 0.257 350 Q C -1.012 174.980 176.000 -0.013 0.000 0.928 350 Q CA -0.646 55.154 55.803 -0.005 0.000 0.932 350 Q CB 0.989 29.721 28.738 -0.010 0.000 1.221 350 Q HN 0.940 nan 8.270 nan 0.000 0.434 351 A N 3.916 126.722 122.820 -0.025 0.000 2.604 351 A HA 0.576 4.896 4.320 -0.000 0.000 0.295 351 A C -1.639 175.926 177.584 -0.031 0.000 1.067 351 A CA -0.811 51.213 52.037 -0.022 0.000 0.683 351 A CB 1.823 20.814 19.000 -0.014 0.000 1.281 351 A HN 0.686 nan 8.150 nan 0.000 0.407 352 E N 0.794 120.982 120.200 -0.020 0.000 2.222 352 E HA 0.430 4.779 4.350 -0.000 0.000 0.267 352 E C -0.352 176.243 176.600 -0.010 0.000 0.884 352 E CA -0.527 55.861 56.400 -0.020 0.000 0.764 352 E CB 2.070 31.762 29.700 -0.015 0.000 1.169 352 E HN 0.612 nan 8.360 nan 0.000 0.413 353 S N 2.849 118.543 115.700 -0.010 0.000 2.554 353 S HA 0.007 4.477 4.470 -0.000 0.000 0.290 353 S C -1.034 173.569 174.600 0.007 0.000 1.309 353 S CA -0.712 57.488 58.200 0.001 0.000 1.047 353 S CB 0.326 63.526 63.200 0.000 0.000 0.828 353 S HN 0.359 nan 8.310 nan 0.000 0.509 354 P HA 0.117 nan 4.420 nan 0.000 0.237 354 P C 0.062 177.367 177.300 0.009 0.000 1.178 354 P CA 0.032 63.140 63.100 0.014 0.000 0.766 354 P CB -0.341 31.369 31.700 0.017 0.000 0.876 355 C N 1.108 120.412 119.300 0.007 0.000 2.604 355 C HA 0.349 4.808 4.460 -0.000 0.000 0.396 355 C C 1.037 176.029 174.990 0.002 0.000 1.282 355 C CA -0.530 58.487 59.018 -0.002 0.000 2.292 355 C CB 0.887 28.627 27.740 0.001 0.000 2.633 355 C HN 0.207 nan 8.230 nan 0.000 0.620 356 V N 0.649 120.560 119.914 -0.006 0.000 2.919 356 V HA 0.938 5.058 4.120 -0.000 0.000 0.316 356 V C 0.004 176.121 176.094 0.040 0.000 1.077 356 V CA -0.667 61.660 62.300 0.045 0.000 0.977 356 V CB 1.409 33.282 31.823 0.084 0.000 1.039 356 V HN 1.108 nan 8.190 nan 0.000 0.441 357 A N 2.347 125.231 122.820 0.107 0.000 2.303 357 A HA 0.774 5.094 4.320 -0.000 0.000 0.317 357 A C 0.435 178.152 177.584 0.221 0.000 1.149 357 A CA -0.412 51.690 52.037 0.107 0.000 0.822 357 A CB 0.669 19.705 19.000 0.060 0.000 1.131 357 A HN 1.076 nan 8.150 nan 0.000 0.493 358 S N -0.138 115.636 115.700 0.123 0.000 2.592 358 S HA 0.605 5.075 4.470 -0.000 0.000 0.271 358 S C 0.211 174.900 174.600 0.149 0.000 1.326 358 S CA 0.241 58.500 58.200 0.098 0.000 1.024 358 S CB 1.138 64.319 63.200 -0.032 0.000 0.921 358 S HN 1.425 nan 8.310 nan 0.000 0.527 359 A N 1.422 124.285 122.820 0.073 0.000 2.515 359 A HA 0.745 5.065 4.320 -0.000 0.000 0.298 359 A C -1.640 175.763 177.584 -0.302 0.000 1.059 359 A CA -0.605 51.307 52.037 -0.209 0.000 0.698 359 A CB 1.191 20.018 19.000 -0.288 0.000 1.289 359 A HN 0.628 nan 8.150 nan 0.000 0.404 360 L N 2.034 122.959 121.223 -0.496 0.000 2.372 360 L HA 0.794 5.133 4.340 -0.000 0.000 0.273 360 L C -1.760 174.838 176.870 -0.453 0.000 0.989 360 L CA -0.360 54.300 54.840 -0.301 0.000 0.841 360 L CB 0.534 42.488 42.059 -0.175 0.000 1.225 360 L HN 0.548 nan 8.230 nan 0.000 0.414 361 F N 4.182 124.019 119.950 -0.188 0.000 2.397 361 F HA 0.735 5.262 4.527 -0.000 0.000 0.331 361 F C 0.181 175.870 175.800 -0.185 0.000 1.090 361 F CA -0.587 57.269 58.000 -0.241 0.000 1.065 361 F CB 1.791 40.604 39.000 -0.312 0.000 1.184 361 F HN 0.130 nan 8.300 nan 0.000 0.499 362 V N 1.242 121.153 119.914 -0.006 0.000 2.760 362 V HA 0.727 4.846 4.120 -0.000 0.000 0.309 362 V C -0.322 175.759 176.094 -0.023 0.000 1.077 362 V CA -0.454 61.829 62.300 -0.028 0.000 0.910 362 V CB 2.074 33.877 31.823 -0.033 0.000 1.008 362 V HN 0.913 nan 8.190 nan 0.000 0.424 363 T N 1.856 116.411 114.554 0.002 0.000 2.711 363 T HA 0.571 4.920 4.350 -0.000 0.000 0.302 363 T C -0.721 174.045 174.700 0.110 0.000 1.373 363 T CA 0.192 62.342 62.100 0.082 0.000 1.000 363 T CB 1.967 70.933 68.868 0.163 0.000 1.483 363 T HN 1.031 nan 8.240 nan 0.000 0.499 364 S N 0.356 116.162 115.700 0.177 0.000 2.690 364 S HA 0.471 4.940 4.470 -0.000 0.000 0.291 364 S C 1.562 176.305 174.600 0.239 0.000 1.138 364 S CA 0.186 58.480 58.200 0.157 0.000 1.013 364 S CB 1.315 64.597 63.200 0.136 0.000 1.053 364 S HN 1.033 nan 8.310 nan 0.000 0.539 365 S N -0.144 115.677 115.700 0.201 0.000 2.423 365 S HA -0.159 4.311 4.470 -0.000 0.000 0.231 365 S C 1.513 176.293 174.600 0.300 0.000 1.014 365 S CA 1.049 59.415 58.200 0.278 0.000 0.965 365 S CB -0.733 62.583 63.200 0.192 0.000 0.785 365 S HN 0.851 nan 8.310 nan 0.000 0.495 366 E N 1.992 122.318 120.200 0.209 0.000 2.051 366 E HA -0.186 4.164 4.350 -0.000 0.000 0.192 366 E C 1.817 178.524 176.600 0.178 0.000 0.991 366 E CA 1.420 57.918 56.400 0.162 0.000 0.799 366 E CB -0.323 29.448 29.700 0.118 0.000 0.748 366 E HN 0.759 nan 8.360 nan 0.000 0.449 367 N N 0.023 118.865 118.700 0.238 0.000 2.270 367 N HA -0.133 4.606 4.740 -0.000 0.000 0.181 367 N C 1.558 177.197 175.510 0.214 0.000 1.016 367 N CA 0.672 53.869 53.050 0.245 0.000 0.870 367 N CB -0.220 38.470 38.487 0.338 0.000 0.979 367 N HN 0.383 nan 8.380 nan 0.000 0.431 368 W N 2.765 124.186 121.300 0.202 0.000 2.335 368 W HA -0.134 4.525 4.660 -0.001 0.000 0.311 368 W C 1.470 178.029 176.519 0.067 0.000 1.213 368 W CA 1.242 58.722 57.345 0.224 0.000 1.274 368 W CB -0.213 29.426 29.460 0.299 0.000 1.148 368 W HN 0.030 nan 8.180 nan 0.000 0.498 369 R N 0.362 120.924 120.500 0.104 0.000 2.152 369 R HA -0.133 4.207 4.340 -0.000 0.000 0.232 369 R C 2.195 178.376 176.300 -0.199 0.000 1.117 369 R CA 1.468 57.529 56.100 -0.066 0.000 0.981 369 R CB -0.243 30.095 30.300 0.063 0.000 0.870 369 R HN 0.211 nan 8.270 nan 0.000 0.451 370 K N -0.614 119.666 120.400 -0.199 0.000 2.365 370 K HA -0.018 4.302 4.320 -0.000 0.000 0.197 370 K C -0.134 176.036 176.600 -0.716 0.000 1.042 370 K CA 0.681 56.751 56.287 -0.361 0.000 0.987 370 K CB 0.260 32.589 32.500 -0.285 0.000 0.779 370 K HN 0.235 nan 8.250 nan 0.000 0.484 371 H N 0.278 118.912 119.070 -0.728 0.000 2.530 371 H HA 0.114 4.670 4.556 -0.000 0.000 0.246 371 H C -1.950 172.883 175.328 -0.824 0.000 1.346 371 H CA -1.936 53.523 56.048 -0.982 0.000 1.424 371 H CB 0.999 29.490 29.762 -2.119 0.000 1.445 371 H HN -0.023 nan 8.280 nan 0.000 0.511 372 P HA -0.157 nan 4.420 nan 0.000 0.220 372 P C 1.278 178.415 177.300 -0.272 0.000 1.148 372 P CA 0.991 63.843 63.100 -0.414 0.000 0.803 372 P CB 0.394 31.929 31.700 -0.275 0.000 0.782 373 A N -1.006 121.700 122.820 -0.190 0.000 2.121 373 A HA -0.109 4.211 4.320 -0.000 0.000 0.218 373 A C 1.802 179.466 177.584 0.133 0.000 1.154 373 A CA 0.645 52.670 52.037 -0.021 0.000 0.679 373 A CB -1.575 17.437 19.000 0.020 0.000 0.795 373 A HN 0.154 nan 8.150 nan 0.000 0.458 374 W N 0.222 121.437 121.300 -0.142 0.000 2.611 374 W HA 0.032 4.692 4.660 -0.000 0.000 0.251 374 W C 1.903 178.432 176.519 0.017 0.000 1.265 374 W CA 0.660 57.953 57.345 -0.086 0.000 1.295 374 W CB -0.493 28.938 29.460 -0.048 0.000 1.129 374 W HN 0.639 nan 8.180 nan 0.000 0.630 375 E N 0.381 120.643 120.200 0.103 0.000 2.435 375 E HA -0.063 4.287 4.350 -0.000 0.000 0.195 375 E C 0.094 176.819 176.600 0.208 0.000 1.029 375 E CA 0.182 56.733 56.400 0.252 0.000 0.865 375 E CB 0.133 29.907 29.700 0.123 0.000 0.833 375 E HN 0.138 nan 8.360 nan 0.000 0.510 376 E N 1.773 122.059 120.200 0.144 0.000 2.373 376 E HA -0.019 4.331 4.350 -0.000 0.000 0.267 376 E C -0.341 176.341 176.600 0.136 0.000 1.032 376 E CA -0.065 56.407 56.400 0.120 0.000 0.889 376 E CB 0.826 30.581 29.700 0.092 0.000 0.984 376 E HN 0.195 nan 8.360 nan 0.000 0.425 377 E N 3.619 123.903 120.200 0.140 0.000 2.360 377 E HA 0.060 4.410 4.350 -0.000 0.000 0.269 377 E C -0.781 175.926 176.600 0.179 0.000 1.022 377 E CA -0.113 56.389 56.400 0.169 0.000 0.887 377 E CB 0.560 30.375 29.700 0.191 0.000 0.990 377 E HN 0.421 nan 8.360 nan 0.000 0.426 378 I N 5.755 126.442 120.570 0.195 0.000 2.405 378 I HA 0.131 4.300 4.170 -0.000 0.000 0.280 378 I C -0.506 175.811 176.117 0.334 0.000 1.027 378 I CA -0.854 60.580 61.300 0.224 0.000 1.161 378 I CB 0.589 38.671 38.000 0.136 0.000 1.300 378 I HN 0.555 nan 8.210 nan 0.000 0.463 379 F N 6.451 126.524 119.950 0.205 0.000 2.518 379 F HA 0.477 5.004 4.527 -0.000 0.000 0.375 379 F C 0.851 176.776 175.800 0.208 0.000 1.097 379 F CA 0.680 58.790 58.000 0.183 0.000 1.108 379 F CB -0.140 38.939 39.000 0.133 0.000 1.078 379 F HN 0.529 nan 8.300 nan 0.000 0.564 380 G N 5.814 114.459 108.800 -0.258 0.000 2.324 380 G HA2 0.146 4.106 3.960 -0.000 0.000 0.293 380 G HA3 0.146 4.106 3.960 -0.000 0.000 0.293 380 G C -3.176 171.545 174.900 -0.298 0.000 1.297 380 G CA -0.942 43.878 45.100 -0.466 0.000 0.853 380 G HN 0.199 nan 8.290 nan 0.000 0.535 381 P HA 0.156 nan 4.420 nan 0.000 0.226 381 P C -0.593 176.725 177.300 0.031 0.000 1.783 381 P CA 0.496 63.486 63.100 -0.184 0.000 0.980 381 P CB 0.585 32.148 31.700 -0.228 0.000 1.967 382 Q N 0.737 120.622 119.800 0.142 0.000 2.389 382 Q HA 0.620 4.959 4.340 -0.000 0.000 0.277 382 Q C -1.825 174.275 176.000 0.168 0.000 1.082 382 Q CA -0.687 55.260 55.803 0.240 0.000 0.810 382 Q CB 2.591 31.617 28.738 0.481 0.000 1.374 382 Q HN 0.102 nan 8.270 nan 0.000 0.422 383 S N 2.183 117.996 115.700 0.189 0.000 2.596 383 S HA 0.762 5.232 4.470 -0.000 0.000 0.270 383 S C -2.063 172.687 174.600 0.251 0.000 1.155 383 S CA -0.570 57.751 58.200 0.203 0.000 0.827 383 S CB 1.305 64.634 63.200 0.214 0.000 1.130 383 S HN 0.584 nan 8.310 nan 0.000 0.467 384 L N 2.788 124.101 121.223 0.149 0.000 2.386 384 L HA 0.752 5.091 4.340 -0.000 0.000 0.271 384 L C -1.645 175.162 176.870 -0.105 0.000 0.993 384 L CA -0.339 54.525 54.840 0.040 0.000 0.819 384 L CB 1.508 43.524 42.059 -0.072 0.000 1.294 384 L HN 0.718 nan 8.230 nan 0.000 0.414 385 I N 5.228 125.732 120.570 -0.110 0.000 2.378 385 I HA 0.446 4.616 4.170 -0.000 0.000 0.291 385 I C -0.866 175.104 176.117 -0.245 0.000 0.992 385 I CA -0.886 60.284 61.300 -0.217 0.000 1.154 385 I CB 1.922 39.862 38.000 -0.099 0.000 1.315 385 I HN 0.281 nan 8.210 nan 0.000 0.448 386 V N 7.374 127.043 119.914 -0.407 0.000 2.334 386 V HA 0.252 4.371 4.120 -0.000 0.000 0.281 386 V C 0.087 176.085 176.094 -0.161 0.000 1.016 386 V CA -0.714 61.412 62.300 -0.289 0.000 0.832 386 V CB 1.635 33.141 31.823 -0.529 0.000 0.999 386 V HN 0.379 nan 8.190 nan 0.000 0.439 387 V N 4.714 124.592 119.914 -0.061 0.000 2.427 387 V HA 0.209 4.329 4.120 -0.000 0.000 0.268 387 V C 0.359 176.457 176.094 0.008 0.000 1.046 387 V CA -0.231 62.047 62.300 -0.038 0.000 0.970 387 V CB 0.737 32.550 31.823 -0.016 0.000 1.001 387 V HN 0.967 nan 8.190 nan 0.000 0.476 388 C N 3.646 122.945 119.300 -0.002 0.000 2.364 388 C HA 0.274 4.734 4.460 -0.000 0.000 0.356 388 C C 1.972 176.968 174.990 0.010 0.000 1.201 388 C CA -0.464 58.567 59.018 0.022 0.000 2.227 388 C CB 1.148 28.898 27.740 0.017 0.000 2.387 388 C HN 1.038 nan 8.230 nan 0.000 0.546 389 E N 1.594 121.809 120.200 0.025 0.000 2.072 389 E HA -0.149 4.200 4.350 -0.000 0.000 0.191 389 E C 0.446 177.051 176.600 0.009 0.000 0.985 389 E CA 1.630 58.042 56.400 0.020 0.000 0.801 389 E CB 0.188 29.906 29.700 0.030 0.000 0.750 389 E HN 0.910 nan 8.360 nan 0.000 0.452 390 N N -3.271 115.432 118.700 0.004 0.000 3.308 390 N HA 0.028 4.768 4.740 -0.000 0.000 0.276 390 N C 0.181 175.684 175.510 -0.012 0.000 1.533 390 N CA -0.161 52.889 53.050 -0.000 0.000 0.878 390 N CB 0.940 39.435 38.487 0.014 0.000 1.566 390 N HN -0.188 nan 8.380 nan 0.000 0.546 391 V N -0.207 119.706 119.914 -0.000 0.000 2.343 391 V HA -0.162 3.958 4.120 -0.000 0.000 0.247 391 V C 2.434 178.534 176.094 0.009 0.000 1.051 391 V CA 2.557 64.858 62.300 0.002 0.000 1.036 391 V CB -1.442 30.434 31.823 0.089 0.000 0.654 391 V HN 0.848 nan 8.190 nan 0.000 0.451 392 A N 0.150 122.980 122.820 0.018 0.000 1.940 392 A HA -0.317 4.003 4.320 -0.000 0.000 0.219 392 A C 2.077 179.666 177.584 0.008 0.000 1.176 392 A CA 2.225 54.270 52.037 0.014 0.000 0.631 392 A CB -0.687 18.324 19.000 0.017 0.000 0.814 392 A HN 0.591 nan 8.150 nan 0.000 0.446 393 D N -0.829 119.577 120.400 0.010 0.000 2.117 393 D HA -0.184 4.456 4.640 -0.000 0.000 0.197 393 D C 1.929 178.231 176.300 0.003 0.000 0.987 393 D CA 1.710 55.721 54.000 0.018 0.000 0.829 393 D CB -0.286 40.531 40.800 0.028 0.000 0.961 393 D HN 0.445 nan 8.370 nan 0.000 0.460 394 M N -0.518 119.073 119.600 -0.015 0.000 2.086 394 M HA -0.130 4.350 4.480 -0.000 0.000 0.261 394 M C 2.113 178.389 176.300 -0.041 0.000 1.067 394 M CA 1.253 56.538 55.300 -0.024 0.000 1.116 394 M CB -0.086 32.494 32.600 -0.034 0.000 1.348 394 M HN 0.079 nan 8.290 nan 0.000 0.407 395 L N -0.748 120.445 121.223 -0.051 0.000 2.131 395 L HA -0.199 4.141 4.340 -0.000 0.000 0.210 395 L C 2.661 179.498 176.870 -0.054 0.000 1.092 395 L CA 1.334 56.128 54.840 -0.077 0.000 0.759 395 L CB -0.512 41.522 42.059 -0.042 0.000 0.903 395 L HN 0.389 nan 8.230 nan 0.000 0.435 396 S N -0.151 115.535 115.700 -0.023 0.000 2.356 396 S HA -0.140 4.330 4.470 -0.000 0.000 0.223 396 S C 1.988 176.593 174.600 0.009 0.000 1.032 396 S CA 1.128 59.327 58.200 -0.001 0.000 1.005 396 S CB -0.194 63.017 63.200 0.018 0.000 0.867 396 S HN 0.320 nan 8.310 nan 0.000 0.449 397 L N 1.756 122.977 121.223 -0.004 0.000 2.079 397 L HA -0.111 4.228 4.340 -0.000 0.000 0.210 397 L C 2.812 179.674 176.870 -0.014 0.000 1.081 397 L CA 1.565 56.407 54.840 0.003 0.000 0.752 397 L CB -0.819 41.136 42.059 -0.173 0.000 0.896 397 L HN 0.506 nan 8.230 nan 0.000 0.433 398 S N -1.034 114.635 115.700 -0.051 0.000 2.419 398 S HA -0.158 4.312 4.470 -0.000 0.000 0.233 398 S C 1.710 176.319 174.600 0.015 0.000 1.016 398 S CA 0.774 58.969 58.200 -0.008 0.000 0.974 398 S CB -0.289 62.801 63.200 -0.182 0.000 0.786 398 S HN 0.399 nan 8.310 nan 0.000 0.492 399 E N 1.792 121.996 120.200 0.005 0.000 2.265 399 E HA -0.062 4.288 4.350 -0.000 0.000 0.196 399 E C 1.797 178.423 176.600 0.044 0.000 0.996 399 E CA 1.287 57.697 56.400 0.016 0.000 0.832 399 E CB -0.293 29.412 29.700 0.008 0.000 0.756 399 E HN 0.888 nan 8.360 nan 0.000 0.491 400 M N -0.676 118.969 119.600 0.075 0.000 2.346 400 M HA 0.274 4.754 4.480 -0.000 0.000 0.280 400 M C 0.413 176.791 176.300 0.131 0.000 1.075 400 M CA -0.114 55.239 55.300 0.088 0.000 0.989 400 M CB 0.229 32.876 32.600 0.078 0.000 1.447 400 M HN -0.209 nan 8.290 nan 0.000 0.511 401 L N 2.366 123.687 121.223 0.163 0.000 2.514 401 L HA 0.271 4.610 4.340 -0.000 0.000 0.280 401 L C 0.984 177.954 176.870 0.166 0.000 1.223 401 L CA -0.415 54.556 54.840 0.219 0.000 0.864 401 L CB 0.348 42.548 42.059 0.235 0.000 1.118 401 L HN 0.343 nan 8.230 nan 0.000 0.494 402 A N 2.555 125.482 122.820 0.178 0.000 2.280 402 A HA 0.539 4.859 4.320 -0.000 0.000 0.268 402 A C 0.603 178.262 177.584 0.126 0.000 1.111 402 A CA 0.062 52.180 52.037 0.134 0.000 0.814 402 A CB 0.128 19.202 19.000 0.124 0.000 1.093 402 A HN 0.791 nan 8.150 nan 0.000 0.498 403 G N -0.501 108.358 108.800 0.099 0.000 2.414 403 G HA2 0.439 4.399 3.960 -0.000 0.000 0.236 403 G HA3 0.439 4.399 3.960 -0.000 0.000 0.236 403 G C 0.081 175.025 174.900 0.073 0.000 1.293 403 G CA 0.811 45.959 45.100 0.080 0.000 0.869 403 G HN 1.133 nan 8.290 nan 0.000 0.556 404 S N 0.749 116.495 115.700 0.077 0.000 2.579 404 S HA 0.371 4.840 4.470 -0.000 0.000 0.272 404 S C 1.173 175.808 174.600 0.058 0.000 1.141 404 S CA -0.845 57.405 58.200 0.083 0.000 0.843 404 S CB 1.314 64.593 63.200 0.132 0.000 1.122 404 S HN 0.418 nan 8.310 nan 0.000 0.468 405 L N 1.754 123.002 121.223 0.042 0.000 2.056 405 L HA 0.098 4.438 4.340 -0.000 0.000 0.207 405 L C 1.327 178.231 176.870 0.056 0.000 1.078 405 L CA 1.421 56.258 54.840 -0.005 0.000 0.749 405 L CB -0.418 41.609 42.059 -0.053 0.000 0.901 405 L HN 0.879 nan 8.230 nan 0.000 0.433 406 T N -3.440 111.178 114.554 0.106 0.000 2.838 406 T HA 0.785 5.135 4.350 -0.000 0.000 0.292 406 T C -0.916 173.877 174.700 0.155 0.000 1.113 406 T CA -0.457 61.721 62.100 0.131 0.000 1.008 406 T CB 2.594 71.557 68.868 0.157 0.000 1.259 406 T HN 0.054 nan 8.240 nan 0.000 0.520 407 A N 0.915 123.830 122.820 0.158 0.000 2.459 407 A HA 0.731 5.051 4.320 -0.000 0.000 0.296 407 A C -0.403 177.286 177.584 0.175 0.000 1.039 407 A CA -0.774 51.386 52.037 0.204 0.000 0.698 407 A CB 1.576 20.694 19.000 0.197 0.000 1.261 407 A HN 0.916 nan 8.150 nan 0.000 0.405 408 T N 2.212 116.885 114.554 0.198 0.000 2.887 408 T HA 0.709 5.059 4.350 -0.000 0.000 0.288 408 T C -0.523 174.245 174.700 0.114 0.000 1.021 408 T CA -0.184 61.963 62.100 0.079 0.000 1.000 408 T CB 1.006 69.871 68.868 -0.006 0.000 1.034 408 T HN 0.480 nan 8.240 nan 0.000 0.467 409 I N 2.471 123.001 120.570 -0.066 0.000 2.499 409 I HA 0.334 4.504 4.170 -0.000 0.000 0.288 409 I C -0.610 175.218 176.117 -0.481 0.000 1.048 409 I CA -0.858 60.422 61.300 -0.034 0.000 1.062 409 I CB 1.754 39.836 38.000 0.136 0.000 1.238 409 I HN 0.507 nan 8.210 nan 0.000 0.426 410 H N 5.270 124.227 119.070 -0.188 0.000 2.587 410 H HA 0.801 5.357 4.556 -0.000 0.000 0.325 410 H C -0.666 174.581 175.328 -0.136 0.000 1.012 410 H CA -0.357 55.503 56.048 -0.314 0.000 1.213 410 H CB 1.955 31.567 29.762 -0.251 0.000 1.431 410 H HN 0.797 nan 8.280 nan 0.000 0.492 411 A N 2.479 125.163 122.820 -0.227 0.000 2.564 411 A HA 0.616 4.936 4.320 -0.000 0.000 0.291 411 A C -0.322 177.272 177.584 0.016 0.000 1.102 411 A CA -0.511 51.493 52.037 -0.055 0.000 0.660 411 A CB 1.479 20.394 19.000 -0.142 0.000 1.283 411 A HN 0.585 nan 8.150 nan 0.000 0.430 412 T N -2.396 112.183 114.554 0.041 0.000 2.910 412 T HA 0.589 4.939 4.350 -0.000 0.000 0.287 412 T C 0.480 175.027 174.700 -0.256 0.000 1.050 412 T CA 0.047 62.145 62.100 -0.003 0.000 1.011 412 T CB 1.157 69.997 68.868 -0.046 0.000 1.195 412 T HN 0.497 nan 8.240 nan 0.000 0.540 413 E N 0.187 120.015 120.200 -0.620 0.000 2.219 413 E HA -0.165 4.185 4.350 -0.000 0.000 0.198 413 E C 1.796 178.012 176.600 -0.640 0.000 0.998 413 E CA 1.403 57.051 56.400 -1.253 0.000 0.818 413 E CB -0.161 29.094 29.700 -0.740 0.000 0.741 413 E HN 0.829 nan 8.360 nan 0.000 0.477 414 E N 0.553 120.564 120.200 -0.315 0.000 2.204 414 E HA -0.212 4.137 4.350 -0.000 0.000 0.195 414 E C 0.647 177.173 176.600 -0.125 0.000 0.990 414 E CA 1.186 57.488 56.400 -0.164 0.000 0.821 414 E CB 0.139 29.786 29.700 -0.088 0.000 0.750 414 E HN 0.294 nan 8.360 nan 0.000 0.477 415 D N -0.692 119.614 120.400 -0.156 0.000 2.367 415 D HA -0.067 4.573 4.640 -0.000 0.000 0.207 415 D C 1.197 177.442 176.300 -0.092 0.000 1.034 415 D CA 0.011 53.878 54.000 -0.222 0.000 0.861 415 D CB -0.060 40.359 40.800 -0.635 0.000 0.943 415 D HN 0.243 nan 8.370 nan 0.000 0.515 416 Y N 1.108 121.300 120.300 -0.179 0.000 2.173 416 Y HA -0.155 4.395 4.550 -0.000 0.000 0.282 416 Y C -0.391 175.433 175.900 -0.127 0.000 1.192 416 Y CA 0.562 58.575 58.100 -0.144 0.000 1.176 416 Y CB -2.017 36.381 38.460 -0.103 0.000 0.969 416 Y HN 0.170 nan 8.280 nan 0.000 0.519 417 P HA -0.146 nan 4.420 nan 0.000 0.215 417 P C 1.429 178.729 177.300 0.002 0.000 1.157 417 P CA 1.912 65.024 63.100 0.021 0.000 0.868 417 P CB 0.042 31.753 31.700 0.017 0.000 0.788 418 Q N -1.089 118.709 119.800 -0.003 0.000 2.137 418 Q HA -0.043 4.297 4.340 -0.000 0.000 0.198 418 Q C 2.115 178.121 176.000 0.011 0.000 0.960 418 Q CA 0.950 56.779 55.803 0.043 0.000 0.847 418 Q CB -1.377 27.472 28.738 0.185 0.000 0.915 418 Q HN 0.060 nan 8.270 nan 0.000 0.448 419 V N 0.951 120.801 119.914 -0.107 0.000 2.407 419 V HA -0.264 3.855 4.120 -0.000 0.000 0.248 419 V C 2.220 178.255 176.094 -0.098 0.000 1.055 419 V CA 1.904 64.143 62.300 -0.102 0.000 1.049 419 V CB -0.977 30.761 31.823 -0.141 0.000 0.662 419 V HN 0.532 nan 8.190 nan 0.000 0.455 420 S N -0.287 115.350 115.700 -0.105 0.000 2.419 420 S HA -0.319 4.151 4.470 -0.000 0.000 0.233 420 S C 1.915 176.469 174.600 -0.078 0.000 1.016 420 S CA 1.897 60.031 58.200 -0.109 0.000 0.974 420 S CB -0.373 62.775 63.200 -0.087 0.000 0.786 420 S HN 0.720 nan 8.310 nan 0.000 0.492 421 Q N -0.307 119.461 119.800 -0.054 0.000 2.339 421 Q HA 0.207 4.546 4.340 -0.000 0.000 0.205 421 Q C 1.988 177.948 176.000 -0.066 0.000 0.925 421 Q CA 0.388 56.163 55.803 -0.047 0.000 0.898 421 Q CB -0.071 28.653 28.738 -0.024 0.000 1.013 421 Q HN 0.544 nan 8.270 nan 0.000 0.504 422 L N 0.508 121.684 121.223 -0.079 0.000 2.109 422 L HA -0.032 4.308 4.340 -0.000 0.000 0.207 422 L C 1.841 178.623 176.870 -0.147 0.000 1.086 422 L CA 1.360 56.112 54.840 -0.147 0.000 0.760 422 L CB -0.271 41.683 42.059 -0.176 0.000 0.910 422 L HN 0.260 nan 8.230 nan 0.000 0.437 423 I N 0.266 120.770 120.570 -0.110 0.000 2.151 423 I HA -0.266 3.904 4.170 -0.000 0.000 0.243 423 I C -0.336 175.735 176.117 -0.075 0.000 1.080 423 I CA 1.584 62.828 61.300 -0.093 0.000 1.339 423 I CB -1.545 36.392 38.000 -0.105 0.000 1.039 423 I HN 0.260 nan 8.210 nan 0.000 0.409 424 P HA -0.145 nan 4.420 nan 0.000 0.218 424 P C 1.332 178.605 177.300 -0.046 0.000 1.148 424 P CA 1.468 64.536 63.100 -0.052 0.000 0.822 424 P CB -0.073 31.598 31.700 -0.049 0.000 0.784 425 R N -0.863 119.599 120.500 -0.063 0.000 2.075 425 R HA 0.066 4.405 4.340 -0.000 0.000 0.226 425 R C 2.265 178.541 176.300 -0.041 0.000 1.114 425 R CA 0.970 57.037 56.100 -0.056 0.000 0.972 425 R CB -0.934 29.314 30.300 -0.086 0.000 0.869 425 R HN 0.247 nan 8.270 nan 0.000 0.437 426 L N 0.777 121.964 121.223 -0.060 0.000 2.217 426 L HA -0.090 4.249 4.340 -0.000 0.000 0.211 426 L C 2.064 178.940 176.870 0.011 0.000 1.107 426 L CA 1.131 55.962 54.840 -0.015 0.000 0.783 426 L CB -0.368 41.674 42.059 -0.028 0.000 0.919 426 L HN 0.224 nan 8.230 nan 0.000 0.442 427 E N 0.438 120.634 120.200 -0.007 0.000 2.160 427 E HA -0.236 4.114 4.350 -0.000 0.000 0.195 427 E C 1.864 178.470 176.600 0.010 0.000 0.991 427 E CA 1.173 57.573 56.400 0.000 0.000 0.810 427 E CB 0.032 29.723 29.700 -0.014 0.000 0.742 427 E HN 0.537 nan 8.360 nan 0.000 0.466 428 E N -0.092 120.113 120.200 0.008 0.000 2.358 428 E HA -0.113 4.237 4.350 -0.000 0.000 0.195 428 E C 1.606 178.225 176.600 0.032 0.000 1.010 428 E CA 0.685 57.094 56.400 0.015 0.000 0.856 428 E CB 0.145 29.850 29.700 0.009 0.000 0.795 428 E HN 0.374 nan 8.360 nan 0.000 0.504 429 I N -4.010 116.587 120.570 0.045 0.000 4.227 429 I HA 0.351 4.521 4.170 -0.000 0.000 0.334 429 I C 0.413 176.575 176.117 0.074 0.000 1.341 429 I CA -0.513 60.827 61.300 0.067 0.000 1.123 429 I CB 1.019 39.073 38.000 0.090 0.000 1.097 429 I HN -0.185 nan 8.210 nan 0.000 0.399 430 A N 0.630 123.490 122.820 0.067 0.000 2.413 430 A HA 0.787 5.107 4.320 -0.000 0.000 0.307 430 A C 0.946 178.562 177.584 0.053 0.000 1.087 430 A CA -0.153 51.926 52.037 0.070 0.000 0.750 430 A CB 1.090 20.146 19.000 0.094 0.000 1.296 430 A HN 0.178 nan 8.150 nan 0.000 0.423 431 G N -0.309 108.520 108.800 0.049 0.000 2.494 431 G HA2 0.252 4.212 3.960 -0.000 0.000 0.216 431 G HA3 0.252 4.212 3.960 -0.000 0.000 0.216 431 G C 0.705 175.641 174.900 0.060 0.000 1.140 431 G CA 0.630 45.758 45.100 0.046 0.000 0.801 431 G HN 0.793 nan 8.290 nan 0.000 0.536 432 R N -0.373 120.171 120.500 0.073 0.000 2.533 432 R HA 0.531 4.871 4.340 -0.000 0.000 0.288 432 R C -1.468 174.884 176.300 0.085 0.000 1.039 432 R CA -0.657 55.493 56.100 0.084 0.000 0.909 432 R CB 1.106 31.473 30.300 0.111 0.000 1.195 432 R HN 0.010 nan 8.270 nan 0.000 0.438 433 L N 4.659 125.924 121.223 0.070 0.000 2.295 433 L HA 0.570 4.910 4.340 -0.000 0.000 0.285 433 L C -0.596 176.316 176.870 0.071 0.000 1.035 433 L CA -1.193 53.689 54.840 0.069 0.000 0.806 433 L CB 1.871 43.958 42.059 0.045 0.000 1.214 433 L HN 0.330 nan 8.230 nan 0.000 0.426 434 V N 3.193 123.148 119.914 0.067 0.000 2.495 434 V HA 0.393 4.513 4.120 -0.000 0.000 0.298 434 V C -0.727 175.369 176.094 0.003 0.000 1.031 434 V CA -0.519 61.802 62.300 0.035 0.000 0.871 434 V CB 1.969 33.797 31.823 0.009 0.000 0.988 434 V HN 0.422 nan 8.190 nan 0.000 0.432 435 F N 4.541 124.396 119.950 -0.159 0.000 2.444 435 F HA 0.534 5.061 4.527 -0.000 0.000 0.342 435 F C 0.860 176.499 175.800 -0.269 0.000 1.121 435 F CA -0.582 57.291 58.000 -0.211 0.000 0.997 435 F CB 1.173 40.085 39.000 -0.147 0.000 1.130 435 F HN 0.643 nan 8.300 nan 0.000 0.454 436 N N 3.205 121.326 118.700 -0.965 0.000 2.714 436 N HA -0.193 4.547 4.740 -0.000 0.000 0.252 436 N C -0.297 174.957 175.510 -0.426 0.000 1.014 436 N CA 1.196 53.803 53.050 -0.737 0.000 0.735 436 N CB -0.970 37.272 38.487 -0.409 0.000 0.924 436 N HN 1.008 nan 8.380 nan 0.000 0.540 437 G N -1.902 106.515 108.800 -0.637 0.000 2.619 437 G HA2 0.599 4.559 3.960 -0.000 0.000 0.305 437 G HA3 0.599 4.559 3.960 -0.000 0.000 0.305 437 G C -1.759 172.795 174.900 -0.577 0.000 1.330 437 G CA -0.933 43.969 45.100 -0.330 0.000 0.789 437 G HN 0.119 nan 8.290 nan 0.000 0.487 438 W N 0.343 121.728 121.300 0.142 0.000 2.666 438 W HA 0.516 5.176 4.660 -0.000 0.000 0.334 438 W C -1.236 175.358 176.519 0.124 0.000 1.051 438 W CA -1.828 55.614 57.345 0.162 0.000 1.224 438 W CB 2.184 31.734 29.460 0.150 0.000 1.405 438 W HN 0.402 nan 8.180 nan 0.000 0.513 439 P HA -0.154 nan 4.420 nan 0.000 0.226 439 P C 1.269 178.730 177.300 0.267 0.000 1.153 439 P CA 1.705 64.961 63.100 0.259 0.000 0.777 439 P CB -0.074 31.777 31.700 0.253 0.000 0.794 440 T N -1.392 113.316 114.554 0.257 0.000 2.635 440 T HA -0.112 4.238 4.350 -0.000 0.000 0.267 440 T C 1.481 176.366 174.700 0.307 0.000 1.040 440 T CA 1.200 63.428 62.100 0.214 0.000 1.156 440 T CB -1.626 67.193 68.868 -0.083 0.000 0.863 440 T HN 0.210 nan 8.240 nan 0.000 0.430 441 G N 1.042 109.987 108.800 0.242 0.000 2.406 441 G HA2 0.461 4.421 3.960 -0.000 0.000 0.251 441 G HA3 0.461 4.421 3.960 -0.000 0.000 0.251 441 G C -0.853 174.172 174.900 0.208 0.000 1.271 441 G CA -0.566 44.679 45.100 0.241 0.000 0.859 441 G HN 0.409 nan 8.290 nan 0.000 0.540 442 V N 2.935 122.956 119.914 0.177 0.000 2.325 442 V HA 0.164 4.284 4.120 -0.000 0.000 0.280 442 V C 0.040 176.179 176.094 0.075 0.000 1.016 442 V CA -0.836 61.535 62.300 0.118 0.000 0.818 442 V CB 1.054 32.901 31.823 0.039 0.000 1.019 442 V HN 0.869 nan 8.190 nan 0.000 0.434 443 E N 3.845 124.090 120.200 0.076 0.000 2.351 443 E HA 0.129 4.479 4.350 -0.000 0.000 0.266 443 E C -0.302 176.300 176.600 0.003 0.000 1.031 443 E CA 0.073 56.501 56.400 0.046 0.000 0.911 443 E CB 1.125 30.858 29.700 0.055 0.000 0.986 443 E HN 0.442 nan 8.360 nan 0.000 0.446 444 V N 6.074 125.969 119.914 -0.032 0.000 2.276 444 V HA 0.473 4.593 4.120 -0.000 0.000 0.249 444 V C 0.803 176.809 176.094 -0.147 0.000 1.160 444 V CA 0.536 62.775 62.300 -0.101 0.000 1.042 444 V CB -0.099 31.653 31.823 -0.118 0.000 1.224 444 V HN 0.737 nan 8.190 nan 0.000 0.496 445 G N 1.414 110.128 108.800 -0.143 0.000 3.259 445 G HA2 0.379 4.339 3.960 -0.000 0.000 0.178 445 G HA3 0.379 4.339 3.960 -0.000 0.000 0.178 445 G C -0.196 174.526 174.900 -0.295 0.000 1.129 445 G CA -0.181 44.817 45.100 -0.170 0.000 0.816 445 G HN 0.292 nan 8.290 nan 0.000 0.634 446 Y N 0.045 120.321 120.300 -0.040 0.000 2.503 446 Y HA 0.368 4.917 4.550 -0.001 0.000 0.277 446 Y C 2.705 178.611 175.900 0.009 0.000 1.102 446 Y CA 0.887 58.972 58.100 -0.024 0.000 1.261 446 Y CB 0.489 38.940 38.460 -0.015 0.000 1.096 446 Y HN 0.384 nan 8.280 nan 0.000 0.546 447 A N -0.452 122.458 122.820 0.150 0.000 2.275 447 A HA 0.173 4.493 4.320 -0.000 0.000 0.212 447 A C 0.913 178.547 177.584 0.084 0.000 1.201 447 A CA -0.181 51.921 52.037 0.108 0.000 0.843 447 A CB -0.608 18.447 19.000 0.091 0.000 0.873 447 A HN 0.228 nan 8.150 nan 0.000 0.492 448 M N 0.746 120.387 119.600 0.069 0.000 2.252 448 M HA 0.277 4.757 4.480 -0.000 0.000 0.333 448 M C -0.826 175.535 176.300 0.100 0.000 1.111 448 M CA 0.463 55.812 55.300 0.081 0.000 1.140 448 M CB 0.538 33.176 32.600 0.064 0.000 1.538 448 M HN -0.047 nan 8.290 nan 0.000 0.448 449 V N 5.724 125.711 119.914 0.122 0.000 2.385 449 V HA 0.226 4.345 4.120 -0.000 0.000 0.277 449 V C -1.415 174.781 176.094 0.169 0.000 1.012 449 V CA -0.591 61.783 62.300 0.124 0.000 0.832 449 V CB 0.683 32.559 31.823 0.089 0.000 1.028 449 V HN 0.864 nan 8.190 nan 0.000 0.436 450 H N 3.316 122.443 119.070 0.096 0.000 2.673 450 H HA 0.771 5.326 4.556 -0.000 0.000 0.293 450 H C 0.281 175.685 175.328 0.126 0.000 1.065 450 H CA 0.873 56.992 56.048 0.119 0.000 1.236 450 H CB 0.982 30.831 29.762 0.144 0.000 1.389 450 H HN 0.879 nan 8.280 nan 0.000 0.481 451 G N 2.056 110.773 108.800 -0.138 0.000 2.403 451 G HA2 0.465 4.425 3.960 -0.000 0.000 0.223 451 G HA3 0.465 4.425 3.960 -0.000 0.000 0.223 451 G C -0.265 174.622 174.900 -0.020 0.000 1.287 451 G CA -0.193 44.870 45.100 -0.061 0.000 0.982 451 G HN 1.274 nan 8.290 nan 0.000 0.471 452 G N -1.284 107.528 108.800 0.021 0.000 2.346 452 G HA2 0.519 4.478 3.960 -0.000 0.000 0.294 452 G HA3 0.519 4.478 3.960 -0.000 0.000 0.294 452 G C -3.429 171.492 174.900 0.035 0.000 1.294 452 G CA 0.150 45.265 45.100 0.026 0.000 0.962 452 G HN 0.834 nan 8.290 nan 0.000 0.508 453 P HA 0.266 nan 4.420 nan 0.000 0.268 453 P C -0.349 177.002 177.300 0.085 0.000 1.208 453 P CA -0.027 63.111 63.100 0.063 0.000 0.777 453 P CB 0.191 31.928 31.700 0.061 0.000 0.875 454 Y N 5.343 125.628 120.300 -0.025 0.000 2.811 454 Y HA -0.005 4.545 4.550 0.000 0.000 0.334 454 Y C -1.030 174.865 175.900 -0.009 0.000 1.247 454 Y CA -0.625 57.450 58.100 -0.041 0.000 1.526 454 Y CB 0.209 38.616 38.460 -0.090 0.000 1.284 454 Y HN 0.407 nan 8.280 nan 0.000 0.586 455 P HA 0.058 nan 4.420 nan 0.000 0.255 455 P C 0.725 177.821 177.300 -0.341 0.000 1.248 455 P CA 1.026 63.614 63.100 -0.854 0.000 0.807 455 P CB 0.111 31.351 31.700 -0.767 0.000 1.150 456 A N 1.072 123.810 122.820 -0.136 0.000 1.958 456 A HA -0.100 4.220 4.320 -0.000 0.000 0.221 456 A C 1.277 178.845 177.584 -0.027 0.000 1.178 456 A CA 2.029 54.033 52.037 -0.054 0.000 0.642 456 A CB -0.890 18.100 19.000 -0.017 0.000 0.816 456 A HN 0.510 nan 8.150 nan 0.000 0.453 457 S N -4.291 111.405 115.700 -0.005 0.000 2.565 457 S HA 0.407 4.876 4.470 -0.000 0.000 0.269 457 S C 0.208 174.881 174.600 0.123 0.000 1.153 457 S CA 0.310 58.564 58.200 0.090 0.000 0.835 457 S CB 0.934 64.218 63.200 0.139 0.000 1.122 457 S HN 0.727 nan 8.310 nan 0.000 0.462 458 T N -1.879 112.790 114.554 0.192 0.000 3.129 458 T HA 0.216 4.566 4.350 -0.000 0.000 0.251 458 T C 0.276 175.102 174.700 0.210 0.000 1.117 458 T CA 0.906 63.080 62.100 0.124 0.000 1.034 458 T CB -0.599 68.307 68.868 0.063 0.000 0.968 458 T HN 0.893 nan 8.240 nan 0.000 0.526 459 H N 0.878 120.036 119.070 0.147 0.000 2.699 459 H HA 0.456 5.012 4.556 -0.001 0.000 0.256 459 H C 1.208 176.630 175.328 0.158 0.000 1.376 459 H CA -0.311 55.825 56.048 0.147 0.000 1.549 459 H CB 0.793 30.648 29.762 0.155 0.000 1.686 459 H HN 0.119 nan 8.280 nan 0.000 0.550 460 S N 1.944 117.594 115.700 -0.084 0.000 2.420 460 S HA -0.180 4.289 4.470 -0.000 0.000 0.237 460 S C 1.694 176.221 174.600 -0.122 0.000 1.023 460 S CA 0.793 58.954 58.200 -0.064 0.000 0.991 460 S CB -0.125 63.053 63.200 -0.037 0.000 0.792 460 S HN 0.577 nan 8.310 nan 0.000 0.488 461 A N 1.467 124.081 122.820 -0.343 0.000 2.916 461 A HA 0.597 4.917 4.320 -0.000 0.000 0.254 461 A C 0.683 178.249 177.584 -0.031 0.000 1.544 461 A CA 0.068 51.976 52.037 -0.215 0.000 1.224 461 A CB -0.952 17.899 19.000 -0.248 0.000 1.012 461 A HN 0.923 nan 8.150 nan 0.000 0.636 462 S N -1.563 114.175 115.700 0.063 0.000 2.655 462 S HA 0.706 5.176 4.470 -0.000 0.000 0.266 462 S C -0.671 173.995 174.600 0.110 0.000 1.149 462 S CA -0.061 58.226 58.200 0.145 0.000 0.818 462 S CB 1.384 64.770 63.200 0.310 0.000 1.130 462 S HN 0.755 nan 8.310 nan 0.000 0.476 463 T N 0.029 114.631 114.554 0.079 0.000 2.912 463 T HA 0.629 4.979 4.350 -0.000 0.000 0.299 463 T C 0.590 175.341 174.700 0.087 0.000 1.052 463 T CA 0.117 62.282 62.100 0.108 0.000 0.996 463 T CB 1.573 70.510 68.868 0.116 0.000 1.070 463 T HN 1.372 nan 8.240 nan 0.000 0.465 464 S N 2.190 117.994 115.700 0.174 0.000 2.556 464 S HA 0.383 4.853 4.470 -0.000 0.000 0.216 464 S C 0.202 174.871 174.600 0.116 0.000 0.970 464 S CA -0.219 58.078 58.200 0.162 0.000 0.912 464 S CB 0.130 63.503 63.200 0.288 0.000 0.790 464 S HN 0.502 nan 8.310 nan 0.000 0.504 465 V N 0.969 120.960 119.914 0.130 0.000 2.760 465 V HA 0.816 4.936 4.120 -0.000 0.000 0.309 465 V C 0.327 176.454 176.094 0.054 0.000 1.077 465 V CA 0.136 62.456 62.300 0.033 0.000 0.910 465 V CB 0.899 32.682 31.823 -0.066 0.000 1.008 465 V HN 0.740 nan 8.190 nan 0.000 0.424 466 G N 2.833 111.632 108.800 -0.001 0.000 2.570 466 G HA2 0.368 4.328 3.960 -0.000 0.000 0.686 466 G HA3 0.368 4.328 3.960 -0.000 0.000 0.686 466 G C 0.530 175.354 174.900 -0.128 0.000 1.257 466 G CA -0.181 44.858 45.100 -0.102 0.000 0.846 466 G HN 1.565 nan 8.290 nan 0.000 0.627 467 A N -0.264 122.354 122.820 -0.336 0.000 1.986 467 A HA -0.013 4.307 4.320 -0.000 0.000 0.220 467 A C 1.975 179.586 177.584 0.045 0.000 1.171 467 A CA 2.433 54.287 52.037 -0.305 0.000 0.640 467 A CB -0.317 18.436 19.000 -0.411 0.000 0.811 467 A HN 0.745 nan 8.150 nan 0.000 0.451 468 E N -0.180 120.078 120.200 0.096 0.000 2.478 468 E HA 0.035 4.385 4.350 -0.000 0.000 0.198 468 E C 1.982 178.651 176.600 0.115 0.000 1.046 468 E CA 0.768 57.279 56.400 0.185 0.000 0.870 468 E CB -0.488 29.337 29.700 0.209 0.000 0.818 468 E HN 0.635 nan 8.360 nan 0.000 0.527 469 A N 1.137 124.030 122.820 0.122 0.000 2.067 469 A HA -0.093 4.227 4.320 -0.000 0.000 0.219 469 A C 2.156 179.657 177.584 -0.139 0.000 1.158 469 A CA 0.498 52.544 52.037 0.016 0.000 0.661 469 A CB -0.535 18.547 19.000 0.136 0.000 0.801 469 A HN 0.292 nan 8.150 nan 0.000 0.452 470 I N -1.066 119.466 120.570 -0.063 0.000 2.394 470 I HA -0.219 3.950 4.170 -0.000 0.000 0.251 470 I C 1.920 177.894 176.117 -0.239 0.000 1.136 470 I CA 1.140 62.346 61.300 -0.157 0.000 1.425 470 I CB -0.211 37.700 38.000 -0.149 0.000 1.079 470 I HN 0.407 nan 8.210 nan 0.000 0.425 471 H N 0.963 119.997 119.070 -0.060 0.000 2.545 471 H HA -0.048 4.507 4.556 -0.000 0.000 0.282 471 H C 2.055 177.254 175.328 -0.216 0.000 1.020 471 H CA 0.767 56.779 56.048 -0.060 0.000 1.243 471 H CB -0.182 29.582 29.762 0.004 0.000 1.377 471 H HN 0.431 nan 8.280 nan 0.000 0.581 472 R N -0.202 119.985 120.500 -0.523 0.000 2.189 472 R HA -0.115 4.225 4.340 -0.000 0.000 0.223 472 R C 0.900 176.743 176.300 -0.762 0.000 1.092 472 R CA 1.134 56.628 56.100 -1.011 0.000 0.989 472 R CB -0.060 28.911 30.300 -2.215 0.000 0.876 472 R HN 0.392 nan 8.270 nan 0.000 0.457 473 W N 0.635 121.893 121.300 -0.070 0.000 3.102 473 W HA 0.345 5.004 4.660 -0.001 0.000 0.401 473 W C -0.376 176.172 176.519 0.048 0.000 1.070 473 W CA -0.676 56.667 57.345 -0.003 0.000 1.921 473 W CB 0.333 29.755 29.460 -0.062 0.000 1.118 473 W HN -0.155 nan 8.180 nan 0.000 0.647 474 L N 1.656 123.004 121.223 0.209 0.000 2.354 474 L HA 0.726 5.065 4.340 -0.000 0.000 0.264 474 L C 0.030 177.006 176.870 0.177 0.000 1.008 474 L CA -1.428 53.537 54.840 0.209 0.000 0.819 474 L CB 2.096 44.302 42.059 0.245 0.000 1.339 474 L HN -0.090 nan 8.230 nan 0.000 0.420 475 R N 0.789 121.386 120.500 0.163 0.000 2.725 475 R HA 0.667 5.006 4.340 -0.000 0.000 0.277 475 R C -3.079 173.295 176.300 0.122 0.000 0.987 475 R CA -1.826 54.352 56.100 0.129 0.000 0.901 475 R CB 1.920 32.286 30.300 0.109 0.000 1.207 475 R HN 0.200 nan 8.270 nan 0.000 0.463 476 P HA 0.242 nan 4.420 nan 0.000 0.281 476 P C -0.822 176.509 177.300 0.051 0.000 1.249 476 P CA -0.562 62.591 63.100 0.089 0.000 0.810 476 P CB 1.651 33.394 31.700 0.073 0.000 1.008 477 V N 1.229 121.170 119.914 0.044 0.000 2.686 477 V HA 0.591 4.711 4.120 -0.000 0.000 0.306 477 V C -0.007 176.000 176.094 -0.145 0.000 1.065 477 V CA -0.869 61.370 62.300 -0.102 0.000 0.894 477 V CB 1.786 33.500 31.823 -0.182 0.000 1.004 477 V HN 0.771 nan 8.190 nan 0.000 0.424 478 A N 4.043 126.731 122.820 -0.219 0.000 2.305 478 A HA 0.873 5.193 4.320 -0.000 0.000 0.322 478 A C -1.471 175.941 177.584 -0.287 0.000 1.187 478 A CA -0.329 51.643 52.037 -0.108 0.000 0.825 478 A CB 0.601 19.578 19.000 -0.039 0.000 1.164 478 A HN 0.733 nan 8.150 nan 0.000 0.498 479 Y N 0.684 120.989 120.300 0.009 0.000 2.328 479 Y HA 0.506 5.056 4.550 0.001 0.000 0.336 479 Y C 0.315 176.217 175.900 0.004 0.000 0.960 479 Y CA -0.327 57.777 58.100 0.006 0.000 1.134 479 Y CB 1.754 40.216 38.460 0.002 0.000 1.166 479 Y HN 0.741 nan 8.280 nan 0.000 0.464 480 Q N 2.481 122.344 119.800 0.105 0.000 2.333 480 Q HA 0.579 4.919 4.340 -0.000 0.000 0.265 480 Q C 0.165 176.201 176.000 0.060 0.000 0.989 480 Q CA -0.111 55.732 55.803 0.067 0.000 0.842 480 Q CB 1.174 29.930 28.738 0.031 0.000 1.262 480 Q HN 0.962 nan 8.270 nan 0.000 0.451 481 A N 3.105 125.956 122.820 0.052 0.000 2.860 481 A HA -0.202 4.117 4.320 -0.000 0.000 0.267 481 A C -0.680 176.928 177.584 0.041 0.000 1.421 481 A CA 0.533 52.592 52.037 0.038 0.000 0.831 481 A CB -1.931 17.086 19.000 0.028 0.000 1.041 481 A HN 0.605 nan 8.150 nan 0.000 0.623 482 L N 1.157 122.415 121.223 0.058 0.000 2.417 482 L HA 0.481 4.820 4.340 -0.000 0.000 0.268 482 L C -1.019 175.865 176.870 0.024 0.000 1.158 482 L CA -1.150 53.722 54.840 0.053 0.000 0.819 482 L CB 0.207 42.317 42.059 0.084 0.000 1.112 482 L HN 0.334 nan 8.230 nan 0.000 0.458 483 P HA 0.097 nan 4.420 nan 0.000 0.274 483 P C 0.039 177.333 177.300 -0.010 0.000 1.231 483 P CA -0.440 62.662 63.100 0.004 0.000 0.790 483 P CB 0.869 32.572 31.700 0.005 0.000 0.951 484 E N 1.124 121.315 120.200 -0.016 0.000 2.114 484 E HA -0.184 4.166 4.350 -0.000 0.000 0.199 484 E C 1.867 178.447 176.600 -0.033 0.000 1.008 484 E CA 2.179 58.562 56.400 -0.029 0.000 0.810 484 E CB -0.838 28.847 29.700 -0.025 0.000 0.739 484 E HN 0.622 nan 8.360 nan 0.000 0.456 485 S N 0.167 115.854 115.700 -0.021 0.000 2.442 485 S HA -0.059 4.411 4.470 -0.000 0.000 0.236 485 S C 2.003 176.590 174.600 -0.020 0.000 1.007 485 S CA 0.671 58.860 58.200 -0.019 0.000 0.965 485 S CB -0.271 62.923 63.200 -0.010 0.000 0.773 485 S HN 0.195 nan 8.310 nan 0.000 0.504 486 L N 0.181 121.393 121.223 -0.017 0.000 2.585 486 L HA 0.410 4.750 4.340 -0.000 0.000 0.226 486 L C 0.411 177.258 176.870 -0.040 0.000 1.113 486 L CA -0.089 54.745 54.840 -0.010 0.000 0.876 486 L CB -0.116 41.952 42.059 0.015 0.000 1.072 486 L HN 0.227 nan 8.230 nan 0.000 0.468 487 L N 1.699 122.874 121.223 -0.081 0.000 2.395 487 L HA 0.280 4.619 4.340 -0.000 0.000 0.269 487 L C -1.824 174.926 176.870 -0.200 0.000 1.133 487 L CA -1.808 52.923 54.840 -0.182 0.000 0.812 487 L CB 0.646 42.600 42.059 -0.174 0.000 1.125 487 L HN -0.173 nan 8.230 nan 0.000 0.452 488 P HA 0.013 nan 4.420 nan 0.000 0.272 488 P C -0.420 176.754 177.300 -0.209 0.000 1.223 488 P CA -0.343 62.620 63.100 -0.228 0.000 0.784 488 P CB 0.879 32.411 31.700 -0.280 0.000 0.923 489 D N 0.805 121.109 120.400 -0.160 0.000 2.158 489 D HA -0.160 4.480 4.640 -0.000 0.000 0.197 489 D C 1.974 178.157 176.300 -0.195 0.000 0.995 489 D CA 2.072 55.985 54.000 -0.145 0.000 0.846 489 D CB -0.628 40.110 40.800 -0.104 0.000 0.941 489 D HN 0.480 nan 8.370 nan 0.000 0.456 490 S N -0.061 115.456 115.700 -0.305 0.000 2.419 490 S HA -0.108 4.362 4.470 -0.000 0.000 0.235 490 S C 1.902 176.348 174.600 -0.256 0.000 1.019 490 S CA 0.677 58.645 58.200 -0.387 0.000 0.982 490 S CB -0.346 62.391 63.200 -0.771 0.000 0.789 490 S HN 0.297 nan 8.310 nan 0.000 0.490 491 L N -0.105 120.974 121.223 -0.240 0.000 2.693 491 L HA 0.332 4.671 4.340 -0.000 0.000 0.235 491 L C 0.460 177.246 176.870 -0.140 0.000 1.127 491 L CA -0.264 54.465 54.840 -0.185 0.000 0.914 491 L CB 0.011 41.928 42.059 -0.237 0.000 1.193 491 L HN 0.075 nan 8.230 nan 0.000 0.502 492 K N 0.610 120.932 120.400 -0.131 0.000 2.436 492 K HA 0.140 4.459 4.320 -0.000 0.000 0.275 492 K C 1.331 177.890 176.600 -0.068 0.000 0.999 492 K CA 0.253 56.484 56.287 -0.093 0.000 0.980 492 K CB 1.386 33.837 32.500 -0.082 0.000 0.919 492 K HN 0.053 nan 8.250 nan 0.000 0.484 493 A N 3.424 126.214 122.820 -0.050 0.000 1.927 493 A HA -0.258 4.062 4.320 -0.000 0.000 0.220 493 A C 1.841 179.405 177.584 -0.033 0.000 1.185 493 A CA 2.138 54.153 52.037 -0.037 0.000 0.639 493 A CB -0.578 18.405 19.000 -0.027 0.000 0.820 493 A HN 0.941 nan 8.150 nan 0.000 0.451 494 E N -1.199 118.980 120.200 -0.034 0.000 2.358 494 E HA -0.099 4.250 4.350 -0.000 0.000 0.195 494 E C 0.476 177.056 176.600 -0.033 0.000 1.010 494 E CA 0.452 56.834 56.400 -0.029 0.000 0.856 494 E CB -0.314 29.371 29.700 -0.025 0.000 0.795 494 E HN 0.397 nan 8.360 nan 0.000 0.504 495 N N 1.518 120.191 118.700 -0.044 0.000 2.681 495 N HA -0.116 4.624 4.740 -0.000 0.000 0.259 495 N C -1.672 173.814 175.510 -0.041 0.000 1.066 495 N CA 0.791 53.811 53.050 -0.050 0.000 0.717 495 N CB -0.511 37.953 38.487 -0.039 0.000 0.885 495 N HN 0.269 nan 8.380 nan 0.000 0.547 496 P HA -0.152 nan 4.420 nan 0.000 0.221 496 P C 1.484 178.768 177.300 -0.027 0.000 1.145 496 P CA 0.934 64.015 63.100 -0.033 0.000 0.795 496 P CB 0.166 31.845 31.700 -0.036 0.000 0.775 497 L N -0.767 120.434 121.223 -0.037 0.000 2.509 497 L HA 0.089 4.429 4.340 -0.000 0.000 0.222 497 L C 0.669 177.534 176.870 -0.007 0.000 1.123 497 L CA 0.336 55.164 54.840 -0.020 0.000 0.856 497 L CB -0.945 41.093 42.059 -0.036 0.000 0.985 497 L HN -0.031 nan 8.230 nan 0.000 0.456 498 E N 1.074 121.265 120.200 -0.016 0.000 2.416 498 E HA -0.222 4.128 4.350 -0.000 0.000 0.249 498 E C -0.007 176.593 176.600 0.001 0.000 1.124 498 E CA 0.376 56.772 56.400 -0.007 0.000 0.732 498 E CB -1.865 27.834 29.700 -0.000 0.000 1.286 498 E HN 0.647 nan 8.360 nan 0.000 0.394 499 I N -3.091 117.476 120.570 -0.005 0.000 2.934 499 I HA 0.656 4.825 4.170 -0.000 0.000 0.315 499 I C 0.601 176.721 176.117 0.005 0.000 0.997 499 I CA -0.990 60.317 61.300 0.012 0.000 1.184 499 I CB 1.057 39.067 38.000 0.017 0.000 1.400 499 I HN -0.006 nan 8.210 nan 0.000 0.549 500 A N 3.730 126.561 122.820 0.017 0.000 2.409 500 A HA 0.567 4.887 4.320 -0.000 0.000 0.262 500 A C -0.030 177.559 177.584 0.008 0.000 1.113 500 A CA -0.429 51.616 52.037 0.013 0.000 0.790 500 A CB 0.114 19.127 19.000 0.021 0.000 1.046 500 A HN 0.815 nan 8.150 nan 0.000 0.496 501 R N 1.256 121.756 120.500 0.000 0.000 2.673 501 R HA 0.618 4.958 4.340 -0.000 0.000 0.281 501 R C -0.887 175.413 176.300 0.000 0.000 0.991 501 R CA -0.642 55.457 56.100 -0.003 0.000 0.896 501 R CB 2.394 32.684 30.300 -0.017 0.000 1.201 501 R HN 0.767 nan 8.270 nan 0.000 0.457 502 A N 2.411 125.233 122.820 0.004 0.000 2.260 502 A HA 0.526 4.846 4.320 -0.000 0.000 0.308 502 A C -0.320 177.266 177.584 0.003 0.000 1.254 502 A CA -0.549 51.490 52.037 0.004 0.000 0.874 502 A CB 0.835 19.840 19.000 0.007 0.000 1.153 502 A HN 0.375 nan 8.150 nan 0.000 0.527 503 V N 3.274 123.189 119.914 0.001 0.000 2.417 503 V HA 0.291 4.411 4.120 -0.000 0.000 0.291 503 V C -0.243 175.853 176.094 0.002 0.000 1.024 503 V CA -0.508 61.792 62.300 0.001 0.000 0.861 503 V CB 1.232 33.054 31.823 -0.002 0.000 0.985 503 V HN 1.000 nan 8.190 nan 0.000 0.436 504 D N 4.376 124.779 120.400 0.004 0.000 2.702 504 D HA -0.230 4.409 4.640 -0.000 0.000 0.233 504 D C 1.348 177.650 176.300 0.004 0.000 1.164 504 D CA 1.523 55.525 54.000 0.004 0.000 0.638 504 D CB -0.976 39.826 40.800 0.003 0.000 1.041 504 D HN 1.391 nan 8.370 nan 0.000 0.422 505 G N -0.703 108.099 108.800 0.004 0.000 2.267 505 G HA2 -0.390 3.570 3.960 -0.000 0.000 0.257 505 G HA3 -0.390 3.570 3.960 -0.000 0.000 0.257 505 G C 0.518 175.419 174.900 0.002 0.000 0.998 505 G CA 0.700 45.802 45.100 0.003 0.000 0.620 505 G HN 0.508 nan 8.290 nan 0.000 0.529 506 K N 1.124 121.525 120.400 0.001 0.000 2.397 506 K HA 0.480 4.800 4.320 -0.000 0.000 0.265 506 K C 1.140 177.741 176.600 0.000 0.000 0.982 506 K CA 0.113 56.400 56.287 0.000 0.000 0.931 506 K CB 0.400 32.899 32.500 -0.001 0.000 0.943 506 K HN 0.707 nan 8.250 nan 0.000 0.501 507 A N 1.772 124.592 122.820 -0.001 0.000 2.531 507 A HA 0.280 4.599 4.320 -0.000 0.000 0.236 507 A C 0.506 178.091 177.584 0.001 0.000 1.062 507 A CA 0.310 52.347 52.037 -0.000 0.000 0.760 507 A CB -0.033 18.965 19.000 -0.002 0.000 0.995 507 A HN 0.806 nan 8.150 nan 0.000 0.501 508 A N 0.000 122.822 122.820 0.003 0.000 2.254 508 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 508 A CA 0.000 52.040 52.037 0.005 0.000 0.836 508 A CB 0.000 19.007 19.000 0.011 0.000 0.831 508 A HN 0.000 nan 8.150 nan 0.000 0.486