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_D DATA FIRST_RESID 7 DATA SEQUENCE NVFYATNAFT GEALPLAFPV HTEVEVNQAA TAAAKVARDF RRLNNSKRAS DATA SEQUENCE LLRTIASELE ARSDDIIARA HLETALPEVR LTGEIARTAN QLRLFADVVN DATA SEQUENCE SGSYHQAILD TPNPTRAPLP KPDIRRQQIA LGPVAVFGAS NFPLAFSAAG DATA SEQUENCE GDTASALAAG CPVIVKGHTA HPGTSQIVAE CIEQALKQEQ LPQAIFTLLQ DATA SEQUENCE GNQRALGQAL VSHPEIKAVG FTGSVGGGRA LFNLAHERPE PIPFYGELGA DATA SEQUENCE INPTFIFPSA MRAKADLADQ FVASMTMGCG QFCTKPGVVF ALNTPETQAF DATA SEQUENCE IETAQSLIRQ QSPSTLLTPG IRDSYQSQVV SRGSDDGIDV TFSQAESPCV DATA SEQUENCE ASALFVTSSE NWRKHPAWEE EIFGPQSLIV VCENVADMLS LSEMLAGSLT DATA SEQUENCE ATIHATEEDY PQVSQLIPRL EEIAGRLVFN GWPTGVEVGY AMVHGGPYPA DATA SEQUENCE STHSASTSVG AEAIHRWLRP VAYQALPESL LPDSLKAENP LEIARAVDGK DATA SEQUENCE AA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 7 N HA 0.000 nan 4.740 nan 0.000 0.220 7 N C 0.000 175.536 175.510 0.044 0.000 1.280 7 N CA 0.000 53.075 53.050 0.042 0.000 0.885 7 N CB 0.000 38.515 38.487 0.046 0.000 1.341 8 V N -0.907 119.038 119.914 0.052 0.000 3.160 8 V HA 0.945 5.065 4.120 -0.000 0.000 0.310 8 V C -1.170 175.001 176.094 0.129 0.000 1.181 8 V CA -0.658 61.657 62.300 0.025 0.000 1.047 8 V CB 1.924 33.657 31.823 -0.149 0.000 1.068 8 V HN 0.635 nan 8.190 nan 0.000 0.441 9 F N -0.374 119.474 119.950 -0.171 0.000 2.662 9 F HA 0.914 5.440 4.527 -0.001 0.000 0.312 9 F C -1.939 173.759 175.800 -0.171 0.000 1.113 9 F CA -1.462 56.500 58.000 -0.064 0.000 0.951 9 F CB 1.358 40.376 39.000 0.029 0.000 1.344 9 F HN 0.587 nan 8.300 nan 0.000 0.462 10 Y N 1.238 121.584 120.300 0.077 0.000 2.524 10 Y HA 0.772 5.322 4.550 -0.001 0.000 0.344 10 Y C 0.363 176.328 175.900 0.107 0.000 1.012 10 Y CA -1.065 57.044 58.100 0.016 0.000 1.068 10 Y CB 1.800 40.288 38.460 0.046 0.000 1.249 10 Y HN 1.004 nan 8.280 nan 0.000 0.468 11 A N 0.727 123.706 122.820 0.265 0.000 2.332 11 A HA 0.588 4.907 4.320 -0.000 0.000 0.258 11 A C -0.254 177.446 177.584 0.194 0.000 1.087 11 A CA -0.342 51.808 52.037 0.190 0.000 0.802 11 A CB 0.032 19.107 19.000 0.125 0.000 1.042 11 A HN 0.691 nan 8.150 nan 0.000 0.489 12 T N 2.353 116.994 114.554 0.145 0.000 2.795 12 T HA 0.202 4.552 4.350 -0.000 0.000 0.282 12 T C 0.319 175.060 174.700 0.068 0.000 0.980 12 T CA -0.495 61.669 62.100 0.106 0.000 1.012 12 T CB 0.416 69.338 68.868 0.090 0.000 0.936 12 T HN 0.665 nan 8.240 nan 0.000 0.457 13 N N 2.236 120.976 118.700 0.066 0.000 2.438 13 N HA 0.061 4.801 4.740 -0.000 0.000 0.267 13 N C 1.181 176.696 175.510 0.007 0.000 1.222 13 N CA -0.195 52.892 53.050 0.062 0.000 0.930 13 N CB 0.974 39.515 38.487 0.091 0.000 1.083 13 N HN 0.735 nan 8.380 nan 0.000 0.476 14 A N 4.278 127.039 122.820 -0.099 0.000 2.070 14 A HA -0.111 4.208 4.320 -0.000 0.000 0.220 14 A C 1.411 178.804 177.584 -0.318 0.000 1.159 14 A CA 1.065 52.946 52.037 -0.259 0.000 0.656 14 A CB -0.404 18.327 19.000 -0.448 0.000 0.800 14 A HN 0.700 nan 8.150 nan 0.000 0.453 15 F N -0.286 119.631 119.950 -0.056 0.000 2.473 15 F HA 0.024 4.551 4.527 -0.000 0.000 0.294 15 F C 2.596 178.381 175.800 -0.025 0.000 1.103 15 F CA 1.533 59.503 58.000 -0.049 0.000 1.442 15 F CB -0.061 38.900 39.000 -0.064 0.000 1.097 15 F HN 0.324 nan 8.300 nan 0.000 0.547 16 T N -4.948 109.698 114.554 0.153 0.000 2.969 16 T HA 0.431 4.780 4.350 -0.000 0.000 0.250 16 T C 1.797 176.530 174.700 0.054 0.000 1.021 16 T CA 0.583 62.738 62.100 0.092 0.000 1.003 16 T CB 0.432 69.347 68.868 0.079 0.000 1.040 16 T HN 0.319 nan 8.240 nan 0.000 0.492 17 G N 1.461 110.288 108.800 0.045 0.000 2.176 17 G HA2 -0.209 3.750 3.960 -0.000 0.000 0.253 17 G HA3 -0.209 3.750 3.960 -0.000 0.000 0.253 17 G C -0.225 174.699 174.900 0.040 0.000 0.979 17 G CA 0.186 45.308 45.100 0.036 0.000 0.641 17 G HN 0.680 nan 8.290 nan 0.000 0.530 18 E N 0.288 120.512 120.200 0.040 0.000 2.250 18 E HA 0.634 4.983 4.350 -0.000 0.000 0.269 18 E C 0.654 177.276 176.600 0.036 0.000 1.018 18 E CA -0.291 56.126 56.400 0.028 0.000 0.873 18 E CB 1.379 31.090 29.700 0.018 0.000 1.134 18 E HN 0.608 nan 8.360 nan 0.000 0.403 19 A N 2.512 125.339 122.820 0.013 0.000 2.462 19 A HA 0.212 4.532 4.320 -0.000 0.000 0.243 19 A C -0.138 177.462 177.584 0.026 0.000 1.076 19 A CA -0.057 51.994 52.037 0.023 0.000 0.773 19 A CB 0.044 18.992 19.000 -0.087 0.000 1.010 19 A HN 0.510 nan 8.150 nan 0.000 0.493 20 L N 3.539 124.822 121.223 0.100 0.000 2.399 20 L HA 0.411 4.751 4.340 -0.000 0.000 0.265 20 L C -1.557 175.394 176.870 0.134 0.000 1.089 20 L CA -2.006 52.898 54.840 0.107 0.000 0.802 20 L CB 1.188 43.331 42.059 0.140 0.000 1.180 20 L HN 0.577 nan 8.230 nan 0.000 0.454 21 P HA 0.168 nan 4.420 nan 0.000 0.271 21 P C -0.933 176.424 177.300 0.094 0.000 1.244 21 P CA -0.222 62.931 63.100 0.088 0.000 0.793 21 P CB 0.766 32.490 31.700 0.040 0.000 0.984 22 L N -2.859 118.377 121.223 0.021 0.000 2.178 22 L HA -0.126 4.214 4.340 -0.000 0.000 0.544 22 L C -0.081 176.422 176.870 -0.612 0.000 1.001 22 L CA -0.248 54.427 54.840 -0.275 0.000 1.227 22 L CB -1.602 40.248 42.059 -0.349 0.000 1.826 22 L HN 0.641 nan 8.230 nan 0.000 0.953 23 A N 4.120 126.487 122.820 -0.756 0.000 2.304 23 A HA 0.921 5.240 4.320 -0.000 0.000 0.301 23 A C -0.806 176.072 177.584 -1.176 0.000 1.132 23 A CA -0.142 51.206 52.037 -1.150 0.000 0.819 23 A CB 0.595 19.094 19.000 -0.836 0.000 1.094 23 A HN 0.403 nan 8.150 nan 0.000 0.492 24 F N 1.594 121.126 119.950 -0.697 0.000 2.546 24 F HA 0.538 5.065 4.527 -0.000 0.000 0.320 24 F C -2.005 173.596 175.800 -0.331 0.000 1.076 24 F CA -2.326 55.357 58.000 -0.529 0.000 0.928 24 F CB 2.127 40.669 39.000 -0.763 0.000 1.189 24 F HN 0.355 nan 8.300 nan 0.000 0.465 25 P HA 0.119 nan 4.420 nan 0.000 0.274 25 P C -0.779 176.483 177.300 -0.062 0.000 1.231 25 P CA -0.163 62.867 63.100 -0.116 0.000 0.790 25 P CB 1.651 33.200 31.700 -0.253 0.000 0.951 26 V N 3.709 123.612 119.914 -0.019 0.000 2.259 26 V HA 0.166 4.286 4.120 -0.000 0.000 0.267 26 V C 0.651 176.745 176.094 0.000 0.000 1.051 26 V CA -0.376 61.924 62.300 0.001 0.000 0.830 26 V CB -1.141 30.703 31.823 0.034 0.000 1.080 26 V HN 0.549 nan 8.190 nan 0.000 0.467 27 H N 2.429 121.525 119.070 0.043 0.000 2.679 27 H HA 0.498 5.054 4.556 -0.001 0.000 0.369 27 H C 0.860 176.187 175.328 -0.002 0.000 1.178 27 H CA 0.352 56.408 56.048 0.013 0.000 1.419 27 H CB 1.257 31.018 29.762 -0.001 0.000 1.458 27 H HN 0.721 nan 8.280 nan 0.000 0.605 28 T N -2.028 112.609 114.554 0.139 0.000 2.645 28 T HA 0.157 4.507 4.350 -0.000 0.000 0.273 28 T C 0.952 175.677 174.700 0.042 0.000 0.960 28 T CA -0.976 61.165 62.100 0.068 0.000 1.051 28 T CB 1.021 69.921 68.868 0.053 0.000 1.366 28 T HN 0.647 nan 8.240 nan 0.000 0.536 29 E N -0.083 120.140 120.200 0.037 0.000 2.209 29 E HA -0.097 4.253 4.350 -0.000 0.000 0.196 29 E C 2.061 178.677 176.600 0.027 0.000 0.993 29 E CA 0.976 57.400 56.400 0.039 0.000 0.819 29 E CB -0.378 29.347 29.700 0.041 0.000 0.745 29 E HN 0.416 nan 8.360 nan 0.000 0.477 30 V N 1.216 121.140 119.914 0.016 0.000 2.261 30 V HA -0.258 3.862 4.120 -0.000 0.000 0.246 30 V C 1.895 177.968 176.094 -0.035 0.000 1.047 30 V CA 2.042 64.342 62.300 0.001 0.000 1.015 30 V CB -0.370 31.456 31.823 0.006 0.000 0.642 30 V HN 0.165 nan 8.190 nan 0.000 0.446 31 E N -0.075 120.086 120.200 -0.066 0.000 2.150 31 E HA -0.119 4.230 4.350 -0.000 0.000 0.193 31 E C 2.088 178.585 176.600 -0.172 0.000 0.985 31 E CA 0.887 57.186 56.400 -0.169 0.000 0.814 31 E CB -0.463 29.031 29.700 -0.344 0.000 0.752 31 E HN 0.408 nan 8.360 nan 0.000 0.466 32 V N 1.632 121.480 119.914 -0.109 0.000 2.261 32 V HA -0.291 3.828 4.120 -0.000 0.000 0.246 32 V C 1.752 177.744 176.094 -0.170 0.000 1.047 32 V CA 1.883 64.112 62.300 -0.118 0.000 1.015 32 V CB -0.541 31.269 31.823 -0.022 0.000 0.642 32 V HN 0.295 nan 8.190 nan 0.000 0.446 33 N N -0.053 118.616 118.700 -0.052 0.000 2.069 33 N HA -0.238 4.502 4.740 -0.000 0.000 0.191 33 N C 1.885 177.331 175.510 -0.106 0.000 1.031 33 N CA 1.850 54.896 53.050 -0.007 0.000 0.852 33 N CB -0.444 38.104 38.487 0.101 0.000 1.018 33 N HN 0.631 nan 8.380 nan 0.000 0.423 34 Q N 0.300 120.041 119.800 -0.099 0.000 2.020 34 Q HA -0.061 4.279 4.340 -0.000 0.000 0.202 34 Q C 1.931 177.839 176.000 -0.153 0.000 0.982 34 Q CA 1.740 57.479 55.803 -0.106 0.000 0.838 34 Q CB -0.115 28.563 28.738 -0.100 0.000 0.899 34 Q HN 0.375 nan 8.270 nan 0.000 0.423 35 A N 0.744 123.445 122.820 -0.198 0.000 1.877 35 A HA -0.152 4.168 4.320 -0.000 0.000 0.216 35 A C 2.284 179.722 177.584 -0.245 0.000 1.186 35 A CA 1.862 53.765 52.037 -0.224 0.000 0.620 35 A CB -1.098 17.749 19.000 -0.255 0.000 0.822 35 A HN 0.567 nan 8.150 nan 0.000 0.443 36 A N -1.159 121.460 122.820 -0.334 0.000 1.933 36 A HA -0.072 4.248 4.320 -0.000 0.000 0.218 36 A C 2.299 179.730 177.584 -0.253 0.000 1.175 36 A CA 2.288 54.087 52.037 -0.396 0.000 0.628 36 A CB -1.239 17.231 19.000 -0.883 0.000 0.814 36 A HN 0.444 nan 8.150 nan 0.000 0.444 37 T N 0.273 114.706 114.554 -0.201 0.000 2.708 37 T HA -0.013 4.337 4.350 -0.000 0.000 0.266 37 T C 2.234 176.890 174.700 -0.074 0.000 1.037 37 T CA 1.587 63.639 62.100 -0.080 0.000 1.146 37 T CB -0.433 68.412 68.868 -0.039 0.000 0.865 37 T HN 0.590 nan 8.240 nan 0.000 0.435 38 A N 1.392 124.153 122.820 -0.098 0.000 1.902 38 A HA 0.193 4.513 4.320 -0.000 0.000 0.217 38 A C 2.635 180.163 177.584 -0.093 0.000 1.181 38 A CA 1.767 53.751 52.037 -0.087 0.000 0.623 38 A CB -1.067 17.873 19.000 -0.100 0.000 0.818 38 A HN 0.499 nan 8.150 nan 0.000 0.443 39 A N -0.028 122.719 122.820 -0.122 0.000 1.902 39 A HA 0.148 4.467 4.320 -0.000 0.000 0.217 39 A C 2.511 180.052 177.584 -0.071 0.000 1.181 39 A CA 2.110 54.073 52.037 -0.122 0.000 0.623 39 A CB -1.054 17.854 19.000 -0.154 0.000 0.818 39 A HN 1.077 nan 8.150 nan 0.000 0.443 40 A N -0.431 122.356 122.820 -0.054 0.000 1.933 40 A HA -0.186 4.133 4.320 -0.000 0.000 0.218 40 A C 2.116 179.700 177.584 -0.001 0.000 1.175 40 A CA 1.997 54.027 52.037 -0.013 0.000 0.628 40 A CB -0.455 18.546 19.000 0.002 0.000 0.814 40 A HN 0.538 nan 8.150 nan 0.000 0.444 41 K N -0.208 120.183 120.400 -0.014 0.000 2.209 41 K HA -0.101 4.219 4.320 -0.000 0.000 0.204 41 K C 1.471 178.073 176.600 0.003 0.000 1.048 41 K CA 1.649 57.933 56.287 -0.005 0.000 0.940 41 K CB -0.146 32.345 32.500 -0.016 0.000 0.729 41 K HN 0.513 nan 8.250 nan 0.000 0.451 42 V N -3.905 116.005 119.914 -0.007 0.000 3.578 42 V HA 0.319 4.439 4.120 -0.000 0.000 0.290 42 V C 1.707 177.838 176.094 0.061 0.000 1.376 42 V CA 0.581 62.887 62.300 0.010 0.000 1.083 42 V CB 0.228 32.026 31.823 -0.041 0.000 0.911 42 V HN 0.153 nan 8.190 nan 0.000 0.433 43 A N 1.598 124.454 122.820 0.059 0.000 1.873 43 A HA -0.246 4.074 4.320 -0.000 0.000 0.218 43 A C 2.421 180.092 177.584 0.144 0.000 1.193 43 A CA 2.474 54.579 52.037 0.113 0.000 0.629 43 A CB -0.662 18.384 19.000 0.077 0.000 0.826 43 A HN 0.580 nan 8.150 nan 0.000 0.447 44 R N -0.582 119.980 120.500 0.102 0.000 2.073 44 R HA -0.174 4.166 4.340 -0.000 0.000 0.234 44 R C 1.590 177.954 176.300 0.107 0.000 1.134 44 R CA 1.923 58.081 56.100 0.096 0.000 0.952 44 R CB -0.386 29.958 30.300 0.073 0.000 0.850 44 R HN 0.481 nan 8.270 nan 0.000 0.433 45 D N -0.161 120.306 120.400 0.112 0.000 2.144 45 D HA -0.182 4.458 4.640 -0.000 0.000 0.199 45 D C 1.594 177.998 176.300 0.173 0.000 0.984 45 D CA 0.954 55.024 54.000 0.118 0.000 0.834 45 D CB -0.308 40.553 40.800 0.102 0.000 0.955 45 D HN 0.177 nan 8.370 nan 0.000 0.465 46 F N 2.246 122.207 119.950 0.019 0.000 2.134 46 F HA -0.141 4.386 4.527 -0.000 0.000 0.299 46 F C 2.281 178.096 175.800 0.026 0.000 1.097 46 F CA 1.366 59.374 58.000 0.013 0.000 1.264 46 F CB -0.159 38.839 39.000 -0.003 0.000 1.001 46 F HN -0.073 nan 8.300 nan 0.000 0.479 47 R N -0.150 120.351 120.500 0.000 0.000 2.236 47 R HA 0.018 4.358 4.340 -0.000 0.000 0.208 47 R C 1.895 178.189 176.300 -0.010 0.000 1.036 47 R CA 1.050 57.102 56.100 -0.080 0.000 1.001 47 R CB -0.556 29.765 30.300 0.035 0.000 0.896 47 R HN 0.184 nan 8.270 nan 0.000 0.464 48 R N 0.678 121.196 120.500 0.030 0.000 2.297 48 R HA 0.242 4.581 4.340 -0.000 0.000 0.197 48 R C 0.175 176.497 176.300 0.036 0.000 0.943 48 R CA -0.159 55.971 56.100 0.049 0.000 1.038 48 R CB 0.025 30.361 30.300 0.060 0.000 0.957 48 R HN 0.168 nan 8.270 nan 0.000 0.484 49 L N 1.844 123.071 121.223 0.006 0.000 2.482 49 L HA -0.027 4.312 4.340 -0.000 0.000 0.273 49 L C 0.480 177.361 176.870 0.019 0.000 1.228 49 L CA -0.107 54.739 54.840 0.011 0.000 0.827 49 L CB 0.118 42.170 42.059 -0.012 0.000 1.099 49 L HN 0.123 nan 8.230 nan 0.000 0.494 50 N N 1.692 120.412 118.700 0.032 0.000 2.441 50 N HA -0.032 4.708 4.740 -0.000 0.000 0.251 50 N C 0.707 176.247 175.510 0.049 0.000 1.242 50 N CA 0.188 53.266 53.050 0.048 0.000 0.898 50 N CB 0.314 38.826 38.487 0.040 0.000 1.100 50 N HN 0.537 nan 8.380 nan 0.000 0.443 51 N N 0.264 119.021 118.700 0.094 0.000 2.104 51 N HA -0.208 4.532 4.740 -0.000 0.000 0.190 51 N C 1.641 177.182 175.510 0.053 0.000 1.024 51 N CA 1.516 54.627 53.050 0.101 0.000 0.853 51 N CB 0.003 38.602 38.487 0.186 0.000 1.008 51 N HN 0.581 nan 8.380 nan 0.000 0.424 52 S N 0.942 116.674 115.700 0.053 0.000 2.382 52 S HA -0.157 4.312 4.470 -0.000 0.000 0.228 52 S C 1.850 176.467 174.600 0.028 0.000 1.027 52 S CA 1.077 59.301 58.200 0.039 0.000 0.991 52 S CB -0.161 63.061 63.200 0.037 0.000 0.823 52 S HN 0.145 nan 8.310 nan 0.000 0.469 53 K N 1.687 122.103 120.400 0.026 0.000 2.031 53 K HA 0.122 4.442 4.320 -0.000 0.000 0.205 53 K C 2.395 179.009 176.600 0.024 0.000 1.049 53 K CA 1.280 57.584 56.287 0.028 0.000 0.939 53 K CB -0.475 32.046 32.500 0.034 0.000 0.717 53 K HN 0.396 nan 8.250 nan 0.000 0.438 54 R N -0.470 120.024 120.500 -0.011 0.000 2.115 54 R HA 0.021 4.360 4.340 -0.000 0.000 0.230 54 R C 2.024 178.313 176.300 -0.019 0.000 1.111 54 R CA 1.193 57.268 56.100 -0.042 0.000 0.976 54 R CB -0.298 29.880 30.300 -0.204 0.000 0.870 54 R HN 0.295 nan 8.270 nan 0.000 0.445 55 A N -0.403 122.410 122.820 -0.012 0.000 1.902 55 A HA -0.171 4.149 4.320 -0.000 0.000 0.217 55 A C 2.095 179.688 177.584 0.015 0.000 1.181 55 A CA 1.848 53.888 52.037 0.004 0.000 0.623 55 A CB -0.773 18.238 19.000 0.019 0.000 0.818 55 A HN 0.408 nan 8.150 nan 0.000 0.443 56 S N -0.591 115.120 115.700 0.019 0.000 2.368 56 S HA -0.171 4.299 4.470 -0.000 0.000 0.225 56 S C 1.967 176.579 174.600 0.020 0.000 1.030 56 S CA 1.603 59.815 58.200 0.020 0.000 0.999 56 S CB -0.516 62.698 63.200 0.022 0.000 0.844 56 S HN 0.560 nan 8.310 nan 0.000 0.459 57 L N 1.776 123.018 121.223 0.031 0.000 2.013 57 L HA -0.036 4.304 4.340 -0.000 0.000 0.212 57 L C 2.145 179.023 176.870 0.014 0.000 1.073 57 L CA 1.837 56.698 54.840 0.036 0.000 0.753 57 L CB -0.804 41.307 42.059 0.086 0.000 0.890 57 L HN 0.420 nan 8.230 nan 0.000 0.432 58 L N -0.811 120.422 121.223 0.016 0.000 2.042 58 L HA -0.216 4.124 4.340 -0.000 0.000 0.210 58 L C 2.808 179.677 176.870 -0.002 0.000 1.076 58 L CA 1.534 56.377 54.840 0.004 0.000 0.749 58 L CB -0.560 41.511 42.059 0.020 0.000 0.893 58 L HN 0.271 nan 8.230 nan 0.000 0.432 59 R N -0.837 119.665 120.500 0.004 0.000 2.092 59 R HA -0.098 4.242 4.340 -0.000 0.000 0.231 59 R C 2.245 178.541 176.300 -0.007 0.000 1.119 59 R CA 1.687 57.787 56.100 0.000 0.000 0.970 59 R CB -0.586 29.717 30.300 0.005 0.000 0.864 59 R HN 0.334 nan 8.270 nan 0.000 0.440 60 T N 1.438 115.987 114.554 -0.007 0.000 2.821 60 T HA -0.040 4.310 4.350 -0.000 0.000 0.267 60 T C 1.900 176.583 174.700 -0.028 0.000 1.046 60 T CA 0.938 63.030 62.100 -0.013 0.000 1.139 60 T CB -0.070 68.793 68.868 -0.008 0.000 0.871 60 T HN 0.143 nan 8.240 nan 0.000 0.454 61 I N 1.277 121.822 120.570 -0.041 0.000 2.226 61 I HA -0.176 3.994 4.170 -0.000 0.000 0.245 61 I C 2.886 178.968 176.117 -0.058 0.000 1.100 61 I CA 1.012 62.270 61.300 -0.070 0.000 1.374 61 I CB -0.429 37.510 38.000 -0.102 0.000 1.057 61 I HN 0.193 nan 8.210 nan 0.000 0.413 62 A N 0.050 122.847 122.820 -0.039 0.000 1.902 62 A HA -0.207 4.113 4.320 -0.000 0.000 0.217 62 A C 2.481 180.051 177.584 -0.024 0.000 1.181 62 A CA 2.286 54.306 52.037 -0.029 0.000 0.623 62 A CB -0.717 18.273 19.000 -0.017 0.000 0.818 62 A HN 0.390 nan 8.150 nan 0.000 0.443 63 S N -0.362 115.326 115.700 -0.020 0.000 2.368 63 S HA -0.110 4.360 4.470 -0.000 0.000 0.224 63 S C 1.910 176.499 174.600 -0.018 0.000 1.029 63 S CA 1.198 59.389 58.200 -0.015 0.000 0.988 63 S CB -0.269 62.924 63.200 -0.011 0.000 0.838 63 S HN 0.568 nan 8.310 nan 0.000 0.462 64 E N 1.363 121.547 120.200 -0.026 0.000 2.110 64 E HA -0.050 4.299 4.350 -0.000 0.000 0.193 64 E C 2.093 178.676 176.600 -0.028 0.000 0.988 64 E CA 0.645 57.029 56.400 -0.027 0.000 0.804 64 E CB -0.453 29.225 29.700 -0.038 0.000 0.745 64 E HN 0.453 nan 8.360 nan 0.000 0.458 65 L N 0.724 121.926 121.223 -0.035 0.000 2.017 65 L HA -0.196 4.143 4.340 -0.000 0.000 0.208 65 L C 2.391 179.250 176.870 -0.018 0.000 1.073 65 L CA 1.316 56.137 54.840 -0.031 0.000 0.745 65 L CB -0.328 41.708 42.059 -0.039 0.000 0.894 65 L HN 0.101 nan 8.230 nan 0.000 0.432 66 E N -0.130 120.060 120.200 -0.015 0.000 2.118 66 E HA -0.229 4.120 4.350 -0.000 0.000 0.195 66 E C 2.210 178.806 176.600 -0.007 0.000 0.992 66 E CA 1.102 57.497 56.400 -0.009 0.000 0.804 66 E CB -0.157 29.538 29.700 -0.008 0.000 0.741 66 E HN 0.508 nan 8.360 nan 0.000 0.458 67 A N 0.839 123.654 122.820 -0.008 0.000 2.067 67 A HA -0.088 4.231 4.320 -0.000 0.000 0.219 67 A C 1.761 179.343 177.584 -0.004 0.000 1.158 67 A CA 0.906 52.939 52.037 -0.006 0.000 0.661 67 A CB 0.050 19.046 19.000 -0.007 0.000 0.801 67 A HN -0.013 nan 8.150 nan 0.000 0.452 68 R N -0.024 120.473 120.500 -0.004 0.000 2.468 68 R HA 0.084 4.423 4.340 -0.000 0.000 0.280 68 R C 1.835 178.137 176.300 0.003 0.000 0.963 68 R CA 0.816 56.916 56.100 0.001 0.000 1.083 68 R CB -0.555 29.745 30.300 0.001 0.000 1.200 68 R HN 0.706 nan 8.270 nan 0.000 0.541 69 S N 0.670 116.370 115.700 -0.000 0.000 2.392 69 S HA -0.217 4.253 4.470 -0.000 0.000 0.232 69 S C 1.313 175.916 174.600 0.003 0.000 1.041 69 S CA 1.602 59.803 58.200 0.000 0.000 1.026 69 S CB -0.063 63.136 63.200 -0.002 0.000 0.845 69 S HN 0.138 nan 8.310 nan 0.000 0.465 70 D N 2.118 122.520 120.400 0.003 0.000 2.087 70 D HA -0.089 4.550 4.640 -0.000 0.000 0.192 70 D C 1.788 178.097 176.300 0.014 0.000 0.993 70 D CA 1.636 55.639 54.000 0.005 0.000 0.828 70 D CB -0.681 40.121 40.800 0.004 0.000 0.968 70 D HN 0.435 nan 8.370 nan 0.000 0.448 71 D N 0.172 120.583 120.400 0.017 0.000 2.123 71 D HA -0.107 4.533 4.640 -0.000 0.000 0.196 71 D C 2.364 178.685 176.300 0.035 0.000 0.992 71 D CA 0.444 54.460 54.000 0.028 0.000 0.833 71 D CB -0.302 40.514 40.800 0.027 0.000 0.954 71 D HN 0.293 nan 8.370 nan 0.000 0.455 72 I N 0.811 121.396 120.570 0.026 0.000 2.127 72 I HA -0.250 3.920 4.170 -0.000 0.000 0.241 72 I C 2.493 178.628 176.117 0.031 0.000 1.075 72 I CA 0.869 62.184 61.300 0.026 0.000 1.334 72 I CB -0.220 37.786 38.000 0.010 0.000 1.040 72 I HN -0.048 nan 8.210 nan 0.000 0.405 73 I N 0.800 121.385 120.570 0.025 0.000 2.179 73 I HA -0.300 3.870 4.170 -0.000 0.000 0.242 73 I C 2.847 179.004 176.117 0.067 0.000 1.088 73 I CA 1.426 62.745 61.300 0.030 0.000 1.357 73 I CB -0.567 37.435 38.000 0.004 0.000 1.051 73 I HN 0.198 nan 8.210 nan 0.000 0.409 74 A N 0.751 123.607 122.820 0.059 0.000 1.908 74 A HA -0.274 4.046 4.320 -0.000 0.000 0.218 74 A C 2.354 180.015 177.584 0.129 0.000 1.181 74 A CA 2.177 54.267 52.037 0.089 0.000 0.627 74 A CB -0.551 18.484 19.000 0.059 0.000 0.818 74 A HN 0.304 nan 8.150 nan 0.000 0.445 75 R N -0.174 120.386 120.500 0.100 0.000 2.062 75 R HA 0.095 4.434 4.340 -0.000 0.000 0.229 75 R C 2.220 178.580 176.300 0.101 0.000 1.128 75 R CA 1.780 57.942 56.100 0.104 0.000 0.960 75 R CB -0.884 29.473 30.300 0.095 0.000 0.855 75 R HN 0.366 nan 8.270 nan 0.000 0.432 76 A N -0.370 122.497 122.820 0.079 0.000 1.940 76 A HA -0.233 4.087 4.320 -0.000 0.000 0.219 76 A C 2.068 179.696 177.584 0.075 0.000 1.176 76 A CA 1.993 54.056 52.037 0.044 0.000 0.631 76 A CB -0.972 18.027 19.000 -0.003 0.000 0.814 76 A HN 0.652 nan 8.150 nan 0.000 0.446 77 H N -0.011 119.083 119.070 0.040 0.000 2.353 77 H HA -0.019 4.537 4.556 -0.001 0.000 0.300 77 H C 1.660 177.088 175.328 0.167 0.000 1.090 77 H CA 2.062 58.164 56.048 0.092 0.000 1.327 77 H CB -0.253 29.575 29.762 0.110 0.000 1.383 77 H HN 0.382 nan 8.280 nan 0.000 0.508 78 L N -0.186 121.085 121.223 0.080 0.000 2.179 78 L HA -0.044 4.296 4.340 -0.000 0.000 0.208 78 L C 2.218 179.090 176.870 0.002 0.000 1.096 78 L CA 1.201 56.086 54.840 0.075 0.000 0.779 78 L CB -0.264 41.874 42.059 0.130 0.000 0.922 78 L HN 0.388 nan 8.230 nan 0.000 0.443 79 E N -0.552 119.654 120.200 0.009 0.000 2.216 79 E HA -0.125 4.225 4.350 -0.000 0.000 0.192 79 E C 1.844 178.407 176.600 -0.062 0.000 0.988 79 E CA 1.620 58.023 56.400 0.004 0.000 0.834 79 E CB 0.167 29.900 29.700 0.055 0.000 0.772 79 E HN 0.540 nan 8.360 nan 0.000 0.479 80 T N -3.924 110.557 114.554 -0.122 0.000 2.958 80 T HA 0.486 4.836 4.350 -0.000 0.000 0.256 80 T C 1.225 175.741 174.700 -0.307 0.000 0.983 80 T CA 0.387 62.386 62.100 -0.168 0.000 0.924 80 T CB 0.883 69.676 68.868 -0.126 0.000 1.136 80 T HN 0.118 nan 8.240 nan 0.000 0.506 81 A N 0.724 123.261 122.820 -0.470 0.000 3.172 81 A HA -0.100 4.219 4.320 -0.000 0.000 0.263 81 A C 0.270 177.723 177.584 -0.217 0.000 1.215 81 A CA 0.880 52.454 52.037 -0.771 0.000 1.065 81 A CB -2.675 15.674 19.000 -1.085 0.000 1.148 81 A HN 0.634 nan 8.150 nan 0.000 0.904 82 L N 1.429 122.604 121.223 -0.080 0.000 2.380 82 L HA 0.339 4.678 4.340 -0.000 0.000 0.273 82 L C -1.450 175.555 176.870 0.225 0.000 1.138 82 L CA -1.830 53.020 54.840 0.016 0.000 0.832 82 L CB 0.450 42.470 42.059 -0.066 0.000 1.124 82 L HN 0.202 nan 8.230 nan 0.000 0.454 83 P HA -0.010 nan 4.420 nan 0.000 0.267 83 P C -0.061 177.264 177.300 0.043 0.000 1.200 83 P CA -0.042 63.149 63.100 0.151 0.000 0.772 83 P CB 0.711 32.456 31.700 0.075 0.000 0.855 84 E N 1.043 121.174 120.200 -0.114 0.000 2.160 84 E HA -0.139 4.211 4.350 -0.000 0.000 0.195 84 E C 1.670 178.238 176.600 -0.053 0.000 0.991 84 E CA 0.846 57.170 56.400 -0.127 0.000 0.810 84 E CB -0.208 29.356 29.700 -0.228 0.000 0.742 84 E HN 0.213 nan 8.360 nan 0.000 0.466 85 V N 1.265 121.156 119.914 -0.038 0.000 2.453 85 V HA -0.211 3.909 4.120 -0.000 0.000 0.247 85 V C 2.393 178.489 176.094 0.003 0.000 1.048 85 V CA 1.910 64.201 62.300 -0.015 0.000 1.049 85 V CB -0.132 31.685 31.823 -0.010 0.000 0.672 85 V HN 0.125 nan 8.190 nan 0.000 0.457 86 R N 0.386 120.890 120.500 0.008 0.000 2.075 86 R HA -0.040 4.300 4.340 -0.000 0.000 0.232 86 R C 1.949 178.246 176.300 -0.004 0.000 1.126 86 R CA 2.101 58.208 56.100 0.011 0.000 0.963 86 R CB -1.033 29.268 30.300 0.001 0.000 0.858 86 R HN 0.510 nan 8.270 nan 0.000 0.435 87 L N 0.016 121.233 121.223 -0.010 0.000 2.141 87 L HA -0.075 4.265 4.340 -0.000 0.000 0.209 87 L C 2.115 178.984 176.870 -0.001 0.000 1.094 87 L CA 1.738 56.570 54.840 -0.013 0.000 0.763 87 L CB -0.579 41.480 42.059 -0.001 0.000 0.908 87 L HN 0.275 nan 8.230 nan 0.000 0.437 88 T N -0.425 114.128 114.554 -0.001 0.000 2.821 88 T HA -0.114 4.235 4.350 -0.000 0.000 0.267 88 T C 1.828 176.537 174.700 0.016 0.000 1.046 88 T CA 1.347 63.449 62.100 0.003 0.000 1.139 88 T CB -0.420 68.446 68.868 -0.004 0.000 0.871 88 T HN 0.554 nan 8.240 nan 0.000 0.454 89 G N 0.613 109.428 108.800 0.026 0.000 2.421 89 G HA2 -0.141 3.819 3.960 -0.000 0.000 0.217 89 G HA3 -0.141 3.819 3.960 -0.000 0.000 0.217 89 G C 1.379 176.315 174.900 0.060 0.000 1.143 89 G CA 0.519 45.646 45.100 0.045 0.000 0.784 89 G HN 0.510 nan 8.290 nan 0.000 0.541 90 E N -0.139 120.095 120.200 0.057 0.000 2.152 90 E HA 0.002 4.351 4.350 -0.000 0.000 0.192 90 E C 2.407 179.041 176.600 0.057 0.000 0.983 90 E CA 0.227 56.676 56.400 0.082 0.000 0.818 90 E CB -0.096 29.643 29.700 0.064 0.000 0.758 90 E HN 0.493 nan 8.360 nan 0.000 0.467 91 I N 0.663 121.251 120.570 0.029 0.000 2.252 91 I HA -0.236 3.934 4.170 -0.000 0.000 0.245 91 I C 2.490 178.617 176.117 0.015 0.000 1.102 91 I CA 0.893 62.202 61.300 0.015 0.000 1.385 91 I CB -0.265 37.739 38.000 0.005 0.000 1.064 91 I HN 0.145 nan 8.210 nan 0.000 0.414 92 A N 0.805 123.637 122.820 0.021 0.000 1.902 92 A HA -0.241 4.078 4.320 -0.000 0.000 0.217 92 A C 2.448 180.043 177.584 0.019 0.000 1.181 92 A CA 1.652 53.700 52.037 0.017 0.000 0.623 92 A CB -0.628 18.384 19.000 0.021 0.000 0.818 92 A HN 0.347 nan 8.150 nan 0.000 0.443 93 R N -0.682 119.839 120.500 0.036 0.000 2.073 93 R HA -0.133 4.206 4.340 -0.000 0.000 0.234 93 R C 2.124 178.430 176.300 0.010 0.000 1.134 93 R CA 2.147 58.268 56.100 0.034 0.000 0.952 93 R CB -0.708 29.639 30.300 0.078 0.000 0.850 93 R HN 0.478 nan 8.270 nan 0.000 0.433 94 T N 0.745 115.309 114.554 0.016 0.000 2.684 94 T HA -0.139 4.211 4.350 -0.000 0.000 0.267 94 T C 1.848 176.542 174.700 -0.011 0.000 1.036 94 T CA 1.520 63.618 62.100 -0.003 0.000 1.148 94 T CB -0.341 68.528 68.868 0.002 0.000 0.863 94 T HN 0.487 nan 8.240 nan 0.000 0.436 95 A N 2.423 125.239 122.820 -0.008 0.000 1.873 95 A HA -0.122 4.197 4.320 -0.000 0.000 0.215 95 A C 2.242 179.818 177.584 -0.013 0.000 1.186 95 A CA 1.371 53.401 52.037 -0.012 0.000 0.616 95 A CB -0.574 18.420 19.000 -0.009 0.000 0.823 95 A HN 0.394 nan 8.150 nan 0.000 0.442 96 N N -0.491 118.200 118.700 -0.015 0.000 2.381 96 N HA -0.154 4.586 4.740 -0.000 0.000 0.182 96 N C 1.824 177.301 175.510 -0.055 0.000 1.025 96 N CA 1.377 54.410 53.050 -0.029 0.000 0.888 96 N CB -0.321 38.151 38.487 -0.025 0.000 0.965 96 N HN 0.799 nan 8.380 nan 0.000 0.438 97 Q N 0.781 120.554 119.800 -0.044 0.000 2.079 97 Q HA 0.003 4.343 4.340 -0.000 0.000 0.200 97 Q C 2.036 178.054 176.000 0.030 0.000 0.974 97 Q CA 0.879 56.650 55.803 -0.053 0.000 0.840 97 Q CB -0.029 28.698 28.738 -0.019 0.000 0.898 97 Q HN 0.266 nan 8.270 nan 0.000 0.430 98 L N 0.077 121.334 121.223 0.056 0.000 2.083 98 L HA -0.182 4.158 4.340 -0.000 0.000 0.209 98 L C 2.611 179.517 176.870 0.060 0.000 1.083 98 L CA 1.389 56.283 54.840 0.092 0.000 0.752 98 L CB -0.224 41.848 42.059 0.022 0.000 0.899 98 L HN 0.164 nan 8.230 nan 0.000 0.433 99 R N -0.700 119.801 120.500 0.001 0.000 2.115 99 R HA -0.151 4.188 4.340 -0.000 0.000 0.230 99 R C 2.131 178.398 176.300 -0.055 0.000 1.111 99 R CA 0.944 57.035 56.100 -0.015 0.000 0.976 99 R CB -0.355 29.934 30.300 -0.020 0.000 0.870 99 R HN 0.182 nan 8.270 nan 0.000 0.445 100 L N -0.052 121.084 121.223 -0.145 0.000 2.017 100 L HA -0.103 4.236 4.340 -0.000 0.000 0.208 100 L C 1.590 178.268 176.870 -0.320 0.000 1.073 100 L CA 1.802 56.461 54.840 -0.301 0.000 0.745 100 L CB -0.452 41.285 42.059 -0.537 0.000 0.894 100 L HN -0.005 nan 8.230 nan 0.000 0.432 101 F N 0.079 119.964 119.950 -0.108 0.000 2.293 101 F HA -0.048 4.478 4.527 -0.001 0.000 0.300 101 F C 2.474 178.222 175.800 -0.086 0.000 1.086 101 F CA 0.963 58.898 58.000 -0.109 0.000 1.375 101 F CB -1.202 37.727 39.000 -0.118 0.000 1.045 101 F HN 0.222 nan 8.300 nan 0.000 0.516 102 A N -0.043 122.824 122.820 0.078 0.000 1.898 102 A HA -0.168 4.152 4.320 -0.000 0.000 0.216 102 A C 2.039 179.645 177.584 0.036 0.000 1.181 102 A CA 1.928 53.989 52.037 0.042 0.000 0.620 102 A CB -0.683 18.333 19.000 0.026 0.000 0.819 102 A HN 0.235 nan 8.150 nan 0.000 0.442 103 D N -0.172 120.243 120.400 0.025 0.000 2.117 103 D HA -0.097 4.543 4.640 -0.000 0.000 0.198 103 D C 2.131 178.481 176.300 0.084 0.000 0.982 103 D CA 1.420 55.451 54.000 0.051 0.000 0.828 103 D CB -0.512 40.325 40.800 0.061 0.000 0.967 103 D HN 0.211 nan 8.370 nan 0.000 0.464 104 V N 0.986 120.943 119.914 0.072 0.000 2.255 104 V HA -0.231 3.889 4.120 -0.000 0.000 0.247 104 V C 2.729 178.912 176.094 0.149 0.000 1.051 104 V CA 1.217 63.590 62.300 0.122 0.000 1.018 104 V CB -0.579 31.300 31.823 0.093 0.000 0.641 104 V HN 0.048 nan 8.190 nan 0.000 0.445 105 V N 0.349 120.301 119.914 0.063 0.000 2.295 105 V HA -0.294 3.826 4.120 -0.000 0.000 0.246 105 V C 2.305 178.491 176.094 0.153 0.000 1.049 105 V CA 2.519 64.830 62.300 0.018 0.000 1.024 105 V CB -1.037 30.710 31.823 -0.127 0.000 0.648 105 V HN 0.605 nan 8.190 nan 0.000 0.447 106 N N 0.625 119.385 118.700 0.100 0.000 2.149 106 N HA -0.174 4.566 4.740 -0.000 0.000 0.188 106 N C 1.969 177.550 175.510 0.118 0.000 1.019 106 N CA 1.677 54.786 53.050 0.098 0.000 0.857 106 N CB -0.235 38.292 38.487 0.067 0.000 0.997 106 N HN 0.598 nan 8.380 nan 0.000 0.426 107 S N -1.413 114.364 115.700 0.128 0.000 2.453 107 S HA 0.073 4.543 4.470 -0.000 0.000 0.231 107 S C 1.640 176.322 174.600 0.137 0.000 1.005 107 S CA 0.949 59.219 58.200 0.118 0.000 0.949 107 S CB -0.550 62.719 63.200 0.115 0.000 0.774 107 S HN 0.518 nan 8.310 nan 0.000 0.510 108 G N 1.045 109.961 108.800 0.193 0.000 2.155 108 G HA2 -0.358 3.601 3.960 -0.000 0.000 0.257 108 G HA3 -0.358 3.601 3.960 -0.000 0.000 0.257 108 G C 1.043 175.974 174.900 0.050 0.000 0.983 108 G CA 1.065 46.257 45.100 0.153 0.000 0.676 108 G HN 1.293 nan 8.290 nan 0.000 0.528 109 S N -0.181 115.591 115.700 0.119 0.000 2.383 109 S HA -0.147 4.322 4.470 -0.000 0.000 0.227 109 S C 2.104 176.776 174.600 0.121 0.000 1.026 109 S CA 1.883 60.154 58.200 0.120 0.000 0.981 109 S CB -0.680 62.618 63.200 0.164 0.000 0.818 109 S HN 1.537 nan 8.310 nan 0.000 0.472 110 Y N 1.398 121.739 120.300 0.067 0.000 2.384 110 Y HA -0.065 4.485 4.550 -0.000 0.000 0.289 110 Y C 2.190 178.152 175.900 0.104 0.000 1.152 110 Y CA 1.236 59.383 58.100 0.078 0.000 1.258 110 Y CB -1.192 37.209 38.460 -0.099 0.000 0.979 110 Y HN 0.282 nan 8.280 nan 0.000 0.549 111 H N 0.946 119.640 119.070 -0.626 0.000 2.421 111 H HA -0.182 4.374 4.556 -0.001 0.000 0.298 111 H C 1.128 176.394 175.328 -0.102 0.000 1.087 111 H CA 1.693 57.479 56.048 -0.436 0.000 1.330 111 H CB -0.360 29.150 29.762 -0.420 0.000 1.388 111 H HN 0.594 nan 8.280 nan 0.000 0.526 112 Q N -0.042 119.807 119.800 0.082 0.000 2.453 112 Q HA -0.177 4.162 4.340 -0.000 0.000 0.294 112 Q C -0.594 175.438 176.000 0.053 0.000 1.295 112 Q CA 0.100 55.947 55.803 0.074 0.000 0.853 112 Q CB -1.166 27.615 28.738 0.072 0.000 1.193 112 Q HN 0.460 nan 8.270 nan 0.000 0.461 113 A N 1.278 124.119 122.820 0.035 0.000 2.548 113 A HA 0.400 4.720 4.320 -0.000 0.000 0.247 113 A C 0.206 177.797 177.584 0.011 0.000 1.067 113 A CA 0.482 52.523 52.037 0.005 0.000 0.757 113 A CB 0.166 19.142 19.000 -0.040 0.000 0.996 113 A HN 0.460 nan 8.150 nan 0.000 0.504 114 I N 3.410 123.992 120.570 0.020 0.000 2.533 114 I HA 0.356 4.526 4.170 -0.000 0.000 0.290 114 I C -0.819 175.310 176.117 0.020 0.000 1.056 114 I CA -0.599 60.713 61.300 0.019 0.000 1.057 114 I CB 1.814 39.830 38.000 0.027 0.000 1.240 114 I HN 0.378 nan 8.210 nan 0.000 0.423 115 L N 4.593 125.823 121.223 0.012 0.000 2.386 115 L HA 0.511 4.851 4.340 -0.000 0.000 0.271 115 L C -1.074 175.804 176.870 0.012 0.000 0.993 115 L CA -0.553 54.294 54.840 0.011 0.000 0.819 115 L CB 2.094 44.153 42.059 -0.001 0.000 1.294 115 L HN 0.494 nan 8.230 nan 0.000 0.414 116 D N 1.602 122.012 120.400 0.016 0.000 2.349 116 D HA 0.233 4.873 4.640 -0.000 0.000 0.232 116 D C -0.060 176.246 176.300 0.010 0.000 1.071 116 D CA -0.140 53.867 54.000 0.013 0.000 0.832 116 D CB 1.990 42.800 40.800 0.016 0.000 1.086 116 D HN 0.371 nan 8.370 nan 0.000 0.504 117 T N 4.770 119.328 114.554 0.006 0.000 2.853 117 T HA 0.190 4.539 4.350 -0.000 0.000 0.298 117 T C -1.903 172.800 174.700 0.006 0.000 0.978 117 T CA -0.874 61.229 62.100 0.004 0.000 1.152 117 T CB 0.821 69.690 68.868 0.002 0.000 0.914 117 T HN 0.237 nan 8.240 nan 0.000 0.539 118 P HA 0.200 nan 4.420 nan 0.000 0.272 118 P C -0.483 176.820 177.300 0.005 0.000 1.240 118 P CA -0.495 62.609 63.100 0.007 0.000 0.791 118 P CB 0.584 32.288 31.700 0.007 0.000 0.978 119 N N 1.221 119.924 118.700 0.005 0.000 2.732 119 N HA 0.161 4.901 4.740 -0.000 0.000 0.247 119 N C -2.000 173.513 175.510 0.004 0.000 1.305 119 N CA -2.025 51.028 53.050 0.004 0.000 0.762 119 N CB 0.564 39.053 38.487 0.003 0.000 1.361 119 N HN 0.085 nan 8.380 nan 0.000 0.545 120 P HA -0.067 nan 4.420 nan 0.000 0.225 120 P C 0.560 177.862 177.300 0.003 0.000 1.148 120 P CA 1.123 64.225 63.100 0.004 0.000 0.779 120 P CB 0.075 31.777 31.700 0.004 0.000 0.780 121 T N -3.896 110.659 114.554 0.003 0.000 3.223 121 T HA 0.187 4.537 4.350 -0.000 0.000 0.259 121 T C 0.676 175.377 174.700 0.002 0.000 1.015 121 T CA -0.588 61.513 62.100 0.002 0.000 0.908 121 T CB -0.310 68.559 68.868 0.002 0.000 1.054 121 T HN -0.014 nan 8.240 nan 0.000 0.567 122 R N 1.179 121.681 120.500 0.003 0.000 2.390 122 R HA 0.637 4.977 4.340 -0.000 0.000 0.291 122 R C -0.510 175.792 176.300 0.002 0.000 1.070 122 R CA -0.268 55.834 56.100 0.002 0.000 1.014 122 R CB 0.528 30.829 30.300 0.003 0.000 1.007 122 R HN 0.401 nan 8.270 nan 0.000 0.466 123 A N 5.058 127.880 122.820 0.002 0.000 2.340 123 A HA 0.478 4.797 4.320 -0.000 0.000 0.331 123 A C -1.828 175.757 177.584 0.002 0.000 1.140 123 A CA -1.492 50.547 52.037 0.002 0.000 0.801 123 A CB 1.141 20.142 19.000 0.002 0.000 1.234 123 A HN 0.759 nan 8.150 nan 0.000 0.469 124 P HA 0.061 nan 4.420 nan 0.000 0.215 124 P C -0.257 177.045 177.300 0.002 0.000 1.157 124 P CA 0.842 63.943 63.100 0.002 0.000 0.859 124 P CB 0.053 31.754 31.700 0.002 0.000 0.786 125 L N 0.881 122.106 121.223 0.003 0.000 2.325 125 L HA 0.423 4.763 4.340 -0.000 0.000 0.278 125 L C -2.306 174.566 176.870 0.004 0.000 1.023 125 L CA -2.596 52.246 54.840 0.003 0.000 0.811 125 L CB 1.612 43.673 42.059 0.003 0.000 1.249 125 L HN -0.127 nan 8.230 nan 0.000 0.431 126 P HA 0.036 nan 4.420 nan 0.000 0.272 126 P C -1.263 176.040 177.300 0.005 0.000 1.223 126 P CA -0.512 62.591 63.100 0.004 0.000 0.784 126 P CB 1.010 32.713 31.700 0.005 0.000 0.923 127 K N 3.628 124.031 120.400 0.006 0.000 2.285 127 K HA 0.285 4.605 4.320 -0.000 0.000 0.286 127 K C -2.010 174.595 176.600 0.008 0.000 1.072 127 K CA -2.178 54.113 56.287 0.007 0.000 0.913 127 K CB 0.351 32.855 32.500 0.006 0.000 1.067 127 K HN 0.333 nan 8.250 nan 0.000 0.479 128 P HA 0.010 nan 4.420 nan 0.000 0.274 128 P C -0.929 176.380 177.300 0.016 0.000 1.246 128 P CA -0.293 62.815 63.100 0.013 0.000 0.795 128 P CB 0.676 32.385 31.700 0.014 0.000 1.006 129 D N 1.522 121.933 120.400 0.019 0.000 2.336 129 D HA 0.273 4.913 4.640 -0.000 0.000 0.249 129 D C -0.514 175.806 176.300 0.034 0.000 1.213 129 D CA -0.070 53.943 54.000 0.021 0.000 0.870 129 D CB -0.371 40.441 40.800 0.019 0.000 1.076 129 D HN 0.210 nan 8.370 nan 0.000 0.483 130 I N 4.178 124.769 120.570 0.035 0.000 2.465 130 I HA 0.431 4.600 4.170 -0.000 0.000 0.291 130 I C 0.153 176.306 176.117 0.060 0.000 1.014 130 I CA -0.850 60.481 61.300 0.051 0.000 1.093 130 I CB 1.746 39.770 38.000 0.039 0.000 1.267 130 I HN 0.101 nan 8.210 nan 0.000 0.431 131 R N 5.693 126.254 120.500 0.100 0.000 2.621 131 R HA 0.690 5.030 4.340 -0.000 0.000 0.284 131 R C -1.087 175.330 176.300 0.195 0.000 0.998 131 R CA -1.005 55.154 56.100 0.098 0.000 0.895 131 R CB 2.927 33.254 30.300 0.046 0.000 1.195 131 R HN 0.679 nan 8.270 nan 0.000 0.450 132 R N 1.096 121.684 120.500 0.146 0.000 2.795 132 R HA 0.480 4.819 4.340 -0.000 0.000 0.275 132 R C -1.193 175.198 176.300 0.150 0.000 0.981 132 R CA -0.999 55.218 56.100 0.195 0.000 0.917 132 R CB 2.149 32.519 30.300 0.117 0.000 1.202 132 R HN 0.783 nan 8.270 nan 0.000 0.469 133 Q N 0.776 120.699 119.800 0.206 0.000 2.565 133 Q HA 0.349 4.688 4.340 -0.000 0.000 0.294 133 Q C -1.282 174.831 176.000 0.188 0.000 1.005 133 Q CA -1.266 54.630 55.803 0.156 0.000 0.771 133 Q CB 1.920 30.721 28.738 0.105 0.000 1.486 133 Q HN 0.516 nan 8.270 nan 0.000 0.422 134 Q N 1.318 121.230 119.800 0.186 0.000 2.230 134 Q HA 0.604 4.943 4.340 -0.000 0.000 0.253 134 Q C -0.336 175.810 176.000 0.244 0.000 0.919 134 Q CA -0.424 55.503 55.803 0.206 0.000 0.908 134 Q CB 1.991 30.869 28.738 0.233 0.000 1.245 134 Q HN 0.726 nan 8.270 nan 0.000 0.437 135 I N -2.360 118.345 120.570 0.224 0.000 2.969 135 I HA 0.783 4.953 4.170 -0.000 0.000 0.307 135 I C -0.497 175.734 176.117 0.191 0.000 1.149 135 I CA -1.481 59.951 61.300 0.220 0.000 1.008 135 I CB 2.009 40.126 38.000 0.195 0.000 1.232 135 I HN 0.511 nan 8.210 nan 0.000 0.435 136 A N 3.992 126.912 122.820 0.166 0.000 2.511 136 A HA 0.305 4.625 4.320 -0.000 0.000 0.242 136 A C 0.926 178.599 177.584 0.150 0.000 1.069 136 A CA -0.188 51.938 52.037 0.150 0.000 0.763 136 A CB 0.136 19.199 19.000 0.104 0.000 1.001 136 A HN 0.893 nan 8.150 nan 0.000 0.498 137 L N 2.063 123.391 121.223 0.175 0.000 2.141 137 L HA 0.169 4.509 4.340 -0.000 0.000 0.209 137 L C 1.529 178.476 176.870 0.128 0.000 1.094 137 L CA 1.385 56.322 54.840 0.161 0.000 0.763 137 L CB -0.616 41.570 42.059 0.211 0.000 0.908 137 L HN 1.128 nan 8.230 nan 0.000 0.437 138 G N -1.840 107.032 108.800 0.120 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 -2.939 171.996 174.900 0.058 0.000 1.299 138 G CA -1.142 44.011 45.100 0.089 0.000 1.018 138 G HN -0.208 nan 8.290 nan 0.000 0.478 139 P HA 0.397 nan 4.420 nan 0.000 0.264 139 P C -0.258 177.017 177.300 -0.042 0.000 1.183 139 P CA -0.045 63.035 63.100 -0.033 0.000 0.763 139 P CB 1.055 32.724 31.700 -0.051 0.000 0.807 140 V N 3.053 122.891 119.914 -0.126 0.000 2.555 140 V HA 0.633 4.752 4.120 -0.000 0.000 0.302 140 V C 0.192 176.181 176.094 -0.175 0.000 1.038 140 V CA -0.839 61.359 62.300 -0.171 0.000 0.887 140 V CB 1.749 33.282 31.823 -0.483 0.000 0.991 140 V HN 0.586 nan 8.190 nan 0.000 0.434 141 A N 4.444 127.221 122.820 -0.071 0.000 2.301 141 A HA 0.821 5.141 4.320 -0.000 0.000 0.312 141 A C -0.693 176.875 177.584 -0.027 0.000 1.182 141 A CA -0.429 51.567 52.037 -0.068 0.000 0.826 141 A CB 1.095 20.127 19.000 0.053 0.000 1.134 141 A HN 0.695 nan 8.150 nan 0.000 0.501 142 V N 2.590 122.426 119.914 -0.129 0.000 2.531 142 V HA 0.460 4.580 4.120 -0.000 0.000 0.301 142 V C -1.294 174.738 176.094 -0.103 0.000 1.034 142 V CA -0.262 62.026 62.300 -0.021 0.000 0.865 142 V CB 1.344 33.134 31.823 -0.055 0.000 0.995 142 V HN 0.725 nan 8.190 nan 0.000 0.424 143 F N 2.753 122.753 119.950 0.083 0.000 2.402 143 F HA 0.691 5.218 4.527 -0.001 0.000 0.355 143 F C 1.005 176.813 175.800 0.013 0.000 1.123 143 F CA -0.497 57.542 58.000 0.065 0.000 1.021 143 F CB 1.624 40.717 39.000 0.156 0.000 1.160 143 F HN 0.582 nan 8.300 nan 0.000 0.451 144 G N 1.353 110.268 108.800 0.192 0.000 2.572 144 G HA2 0.521 4.481 3.960 -0.000 0.000 0.261 144 G HA3 0.521 4.481 3.960 -0.000 0.000 0.261 144 G C -0.660 174.385 174.900 0.240 0.000 1.197 144 G CA -0.562 44.672 45.100 0.223 0.000 0.870 144 G HN 0.848 nan 8.290 nan 0.000 0.548 145 A N 0.052 123.005 122.820 0.223 0.000 2.327 145 A HA 0.521 4.840 4.320 -0.000 0.000 0.283 145 A C 1.553 179.194 177.584 0.095 0.000 1.127 145 A CA 0.339 52.453 52.037 0.128 0.000 0.810 145 A CB 0.859 19.911 19.000 0.087 0.000 1.066 145 A HN 1.340 nan 8.150 nan 0.000 0.492 146 S N 1.542 117.172 115.700 -0.118 0.000 2.414 146 S HA -0.144 4.325 4.470 -0.000 0.000 0.227 146 S C 1.287 175.820 174.600 -0.111 0.000 1.022 146 S CA 1.044 59.056 58.200 -0.315 0.000 0.958 146 S CB -0.438 62.476 63.200 -0.477 0.000 0.797 146 S HN 0.881 nan 8.310 nan 0.000 0.493 147 N N 0.791 119.463 118.700 -0.046 0.000 2.494 147 N HA 0.015 4.755 4.740 -0.000 0.000 0.182 147 N C -0.435 174.913 175.510 -0.269 0.000 1.076 147 N CA 0.344 53.365 53.050 -0.048 0.000 0.908 147 N CB -0.486 38.109 38.487 0.180 0.000 0.967 147 N HN 0.498 nan 8.380 nan 0.000 0.449 148 F N 1.067 120.914 119.950 -0.173 0.000 2.710 148 F HA 0.393 4.920 4.527 -0.000 0.000 0.345 148 F C -1.716 174.028 175.800 -0.094 0.000 1.362 148 F CA -2.143 55.783 58.000 -0.124 0.000 1.175 148 F CB 1.770 40.720 39.000 -0.083 0.000 1.561 148 F HN -0.145 nan 8.300 nan 0.000 0.593 149 P HA -0.153 nan 4.420 nan 0.000 0.224 149 P C 0.894 178.021 177.300 -0.289 0.000 1.142 149 P CA 1.554 64.298 63.100 -0.593 0.000 0.778 149 P CB 0.653 31.894 31.700 -0.766 0.000 0.764 150 L N -1.434 119.756 121.223 -0.055 0.000 2.675 150 L HA 0.293 4.632 4.340 -0.000 0.000 0.178 150 L C 2.634 179.555 176.870 0.086 0.000 1.135 150 L CA 0.796 55.641 54.840 0.008 0.000 0.855 150 L CB -1.195 40.865 42.059 0.001 0.000 1.235 150 L HN -0.269 nan 8.230 nan 0.000 0.499 151 A N -0.365 122.568 122.820 0.189 0.000 2.067 151 A HA -0.049 4.270 4.320 -0.000 0.000 0.219 151 A C 1.241 178.817 177.584 -0.013 0.000 1.158 151 A CA 1.411 53.526 52.037 0.130 0.000 0.661 151 A CB -0.366 18.779 19.000 0.242 0.000 0.801 151 A HN 0.391 nan 8.150 nan 0.000 0.452 152 F N -1.304 118.684 119.950 0.064 0.000 2.805 152 F HA 0.395 4.921 4.527 -0.001 0.000 0.317 152 F C 1.063 176.909 175.800 0.077 0.000 1.146 152 F CA -0.034 57.991 58.000 0.042 0.000 1.265 152 F CB 0.321 39.329 39.000 0.013 0.000 0.992 152 F HN 0.137 nan 8.300 nan 0.000 0.511 153 S N -0.575 115.242 115.700 0.195 0.000 4.341 153 S HA 0.682 5.152 4.470 -0.000 0.000 0.223 153 S C 1.788 176.474 174.600 0.143 0.000 1.085 153 S CA 0.426 58.745 58.200 0.199 0.000 1.732 153 S CB -0.018 63.327 63.200 0.242 0.000 0.999 153 S HN 0.039 nan 8.310 nan 0.000 0.742 154 A N 0.872 123.790 122.820 0.164 0.000 1.915 154 A HA 0.000 4.320 4.320 -0.000 0.000 0.220 154 A C 1.618 179.256 177.584 0.089 0.000 1.198 154 A CA 2.542 54.681 52.037 0.171 0.000 0.647 154 A CB -1.182 17.925 19.000 0.179 0.000 0.825 154 A HN 1.109 nan 8.150 nan 0.000 0.456 155 A N -1.068 121.752 122.820 -0.001 0.000 2.637 155 A HA 0.565 4.885 4.320 -0.000 0.000 0.293 155 A C 1.033 178.583 177.584 -0.057 0.000 1.216 155 A CA 0.565 52.551 52.037 -0.084 0.000 0.956 155 A CB -0.720 18.202 19.000 -0.131 0.000 1.174 155 A HN 0.818 nan 8.150 nan 0.000 0.525 156 G N -0.939 107.845 108.800 -0.027 0.000 2.525 156 G HA2 0.375 4.334 3.960 -0.000 0.000 0.276 156 G HA3 0.375 4.334 3.960 -0.000 0.000 0.276 156 G C 1.187 176.011 174.900 -0.126 0.000 1.388 156 G CA 0.123 45.179 45.100 -0.073 0.000 1.050 156 G HN 0.532 nan 8.290 nan 0.000 0.520 157 G N -0.707 107.950 108.800 -0.237 0.000 2.442 157 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.219 157 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.219 157 G C 1.320 176.148 174.900 -0.120 0.000 1.141 157 G CA 1.523 46.514 45.100 -0.182 0.000 0.763 157 G HN 0.485 nan 8.290 nan 0.000 0.554 158 D N 0.013 120.386 120.400 -0.046 0.000 2.097 158 D HA -0.038 4.601 4.640 -0.000 0.000 0.197 158 D C 2.779 178.987 176.300 -0.154 0.000 0.984 158 D CA 1.354 55.386 54.000 0.053 0.000 0.826 158 D CB -0.606 40.284 40.800 0.150 0.000 0.973 158 D HN 0.192 nan 8.370 nan 0.000 0.460 159 T N 0.686 115.158 114.554 -0.138 0.000 2.708 159 T HA -0.113 4.237 4.350 -0.000 0.000 0.266 159 T C 1.982 176.548 174.700 -0.223 0.000 1.037 159 T CA 1.559 63.565 62.100 -0.157 0.000 1.146 159 T CB -0.316 68.536 68.868 -0.027 0.000 0.865 159 T HN 0.176 nan 8.240 nan 0.000 0.435 160 A N 1.946 124.630 122.820 -0.227 0.000 1.883 160 A HA -0.136 4.183 4.320 -0.000 0.000 0.217 160 A C 2.597 179.831 177.584 -0.582 0.000 1.186 160 A CA 2.376 54.246 52.037 -0.278 0.000 0.624 160 A CB -0.976 17.947 19.000 -0.128 0.000 0.822 160 A HN 0.618 nan 8.150 nan 0.000 0.444 161 S N -0.003 115.176 115.700 -0.869 0.000 2.402 161 S HA 0.109 4.579 4.470 -0.000 0.000 0.229 161 S C 2.054 176.413 174.600 -0.402 0.000 1.021 161 S CA 1.226 58.818 58.200 -1.013 0.000 0.974 161 S CB -0.580 62.193 63.200 -0.712 0.000 0.800 161 S HN 0.863 nan 8.310 nan 0.000 0.484 162 A N 2.150 124.645 122.820 -0.541 0.000 1.898 162 A HA 0.226 4.545 4.320 -0.000 0.000 0.216 162 A C 2.305 179.701 177.584 -0.313 0.000 1.181 162 A CA 1.178 52.750 52.037 -0.774 0.000 0.620 162 A CB -0.824 17.490 19.000 -1.143 0.000 0.819 162 A HN 0.512 nan 8.150 nan 0.000 0.442 163 L N -0.696 120.408 121.223 -0.199 0.000 2.083 163 L HA -0.194 4.146 4.340 -0.000 0.000 0.209 163 L C 3.089 179.905 176.870 -0.089 0.000 1.083 163 L CA 1.006 55.877 54.840 0.051 0.000 0.752 163 L CB -0.579 41.522 42.059 0.071 0.000 0.899 163 L HN 0.448 nan 8.230 nan 0.000 0.433 164 A N 0.175 122.865 122.820 -0.217 0.000 1.902 164 A HA -0.167 4.153 4.320 -0.000 0.000 0.217 164 A C 2.470 179.794 177.584 -0.433 0.000 1.181 164 A CA 1.713 53.579 52.037 -0.284 0.000 0.623 164 A CB -0.644 18.205 19.000 -0.251 0.000 0.818 164 A HN 0.400 nan 8.150 nan 0.000 0.443 165 A N -1.975 120.648 122.820 -0.328 0.000 2.121 165 A HA 0.356 4.676 4.320 -0.000 0.000 0.218 165 A C 1.828 179.261 177.584 -0.251 0.000 1.154 165 A CA 1.519 53.384 52.037 -0.287 0.000 0.679 165 A CB -0.834 18.169 19.000 0.005 0.000 0.795 165 A HN 1.974 nan 8.150 nan 0.000 0.458 166 G N -2.675 105.941 108.800 -0.307 0.000 2.135 166 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.183 166 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.183 166 G C -0.084 174.809 174.900 -0.011 0.000 1.004 166 G CA -0.186 44.652 45.100 -0.436 0.000 0.677 166 G HN 0.627 nan 8.290 nan 0.000 0.512 167 C N 1.132 120.516 119.300 0.139 0.000 2.319 167 C HA 0.650 5.110 4.460 -0.000 0.000 0.335 167 C C -1.505 173.606 174.990 0.201 0.000 1.274 167 C CA -1.546 57.574 59.018 0.169 0.000 1.806 167 C CB 1.435 29.160 27.740 -0.025 0.000 2.329 167 C HN 0.339 nan 8.230 nan 0.000 0.524 168 P HA 0.308 nan 4.420 nan 0.000 0.272 168 P C -0.911 176.297 177.300 -0.154 0.000 1.223 168 P CA -0.013 62.998 63.100 -0.147 0.000 0.784 168 P CB 0.526 32.133 31.700 -0.155 0.000 0.923 169 V N 3.754 123.558 119.914 -0.184 0.000 2.604 169 V HA 0.432 4.552 4.120 -0.000 0.000 0.305 169 V C 0.006 175.880 176.094 -0.366 0.000 1.043 169 V CA -0.442 61.728 62.300 -0.216 0.000 0.888 169 V CB 1.743 33.514 31.823 -0.086 0.000 0.995 169 V HN 0.365 nan 8.190 nan 0.000 0.429 170 I N 4.557 124.916 120.570 -0.352 0.000 2.410 170 I HA 0.433 4.602 4.170 -0.000 0.000 0.286 170 I C -0.669 175.217 176.117 -0.385 0.000 1.009 170 I CA -0.725 60.324 61.300 -0.418 0.000 1.111 170 I CB 1.999 39.811 38.000 -0.312 0.000 1.262 170 I HN 0.259 nan 8.210 nan 0.000 0.443 171 V N 6.520 126.165 119.914 -0.447 0.000 2.407 171 V HA 0.285 4.405 4.120 -0.000 0.000 0.278 171 V C 0.397 176.305 176.094 -0.311 0.000 1.037 171 V CA -0.710 61.405 62.300 -0.310 0.000 0.900 171 V CB 1.683 33.421 31.823 -0.141 0.000 0.983 171 V HN 0.504 nan 8.190 nan 0.000 0.459 172 K N 4.254 124.390 120.400 -0.441 0.000 2.231 172 K HA 0.299 4.619 4.320 -0.000 0.000 0.275 172 K C 0.442 176.898 176.600 -0.240 0.000 1.105 172 K CA -0.191 55.845 56.287 -0.419 0.000 0.931 172 K CB 0.680 32.683 32.500 -0.827 0.000 1.296 172 K HN 0.878 nan 8.250 nan 0.000 0.446 173 G N 3.782 112.514 108.800 -0.113 0.000 2.265 173 G HA2 -0.113 3.846 3.960 -0.000 0.000 0.240 173 G HA3 -0.113 3.846 3.960 -0.000 0.000 0.240 173 G C -0.091 174.766 174.900 -0.072 0.000 1.270 173 G CA -0.079 44.989 45.100 -0.053 0.000 0.901 173 G HN 0.682 nan 8.290 nan 0.000 0.507 174 H N 1.842 120.791 119.070 -0.202 0.000 2.886 174 H HA 0.024 4.579 4.556 -0.001 0.000 0.329 174 H C 1.921 177.077 175.328 -0.287 0.000 1.044 174 H CA 0.853 56.745 56.048 -0.259 0.000 1.456 174 H CB 0.987 30.504 29.762 -0.408 0.000 1.464 174 H HN 0.561 nan 8.280 nan 0.000 0.573 175 T N 1.136 115.669 114.554 -0.035 0.000 3.025 175 T HA -0.042 4.307 4.350 -0.000 0.000 0.270 175 T C 1.857 176.662 174.700 0.174 0.000 1.126 175 T CA 0.654 62.797 62.100 0.072 0.000 1.105 175 T CB -0.064 68.749 68.868 -0.091 0.000 0.884 175 T HN 0.518 nan 8.240 nan 0.000 0.522 176 A N 2.208 125.197 122.820 0.283 0.000 2.067 176 A HA 0.041 4.360 4.320 -0.000 0.000 0.217 176 A C 1.400 178.994 177.584 0.016 0.000 1.156 176 A CA 0.764 52.852 52.037 0.085 0.000 0.683 176 A CB -0.473 18.481 19.000 -0.077 0.000 0.808 176 A HN 0.924 nan 8.150 nan 0.000 0.455 177 H N -3.359 115.720 119.070 0.015 0.000 2.823 177 H HA 0.226 4.781 4.556 -0.001 0.000 0.222 177 H C -2.610 172.640 175.328 -0.129 0.000 1.414 177 H CA -0.783 55.230 56.048 -0.058 0.000 1.289 177 H CB -0.173 29.551 29.762 -0.064 0.000 1.970 177 H HN 0.237 nan 8.280 nan 0.000 0.517 178 P HA -0.113 nan 4.420 nan 0.000 0.217 178 P C 1.715 178.587 177.300 -0.713 0.000 1.150 178 P CA 1.823 64.539 63.100 -0.640 0.000 0.832 178 P CB -0.102 30.887 31.700 -1.185 0.000 0.787 179 G N -0.368 108.120 108.800 -0.519 0.000 2.408 179 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.217 179 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.217 179 G C 1.548 176.487 174.900 0.065 0.000 1.150 179 G CA 1.311 46.420 45.100 0.016 0.000 0.776 179 G HN 0.200 nan 8.290 nan 0.000 0.542 180 T N 1.302 115.890 114.554 0.057 0.000 2.708 180 T HA -0.102 4.247 4.350 -0.000 0.000 0.266 180 T C 2.851 177.604 174.700 0.088 0.000 1.037 180 T CA 1.570 63.714 62.100 0.074 0.000 1.146 180 T CB -0.309 68.589 68.868 0.049 0.000 0.865 180 T HN 0.257 nan 8.240 nan 0.000 0.435 181 S N 1.130 116.908 115.700 0.131 0.000 2.382 181 S HA -0.171 4.298 4.470 -0.000 0.000 0.228 181 S C 2.140 176.802 174.600 0.104 0.000 1.027 181 S CA 1.174 59.453 58.200 0.130 0.000 0.991 181 S CB -0.371 62.905 63.200 0.126 0.000 0.823 181 S HN 0.530 nan 8.310 nan 0.000 0.469 182 Q N 0.671 120.523 119.800 0.087 0.000 2.061 182 Q HA -0.109 4.231 4.340 -0.000 0.000 0.204 182 Q C 2.059 178.124 176.000 0.108 0.000 0.984 182 Q CA 1.458 57.340 55.803 0.131 0.000 0.846 182 Q CB -0.244 28.629 28.738 0.224 0.000 0.902 182 Q HN 0.534 nan 8.270 nan 0.000 0.421 183 I N -0.120 120.506 120.570 0.092 0.000 2.226 183 I HA -0.270 3.900 4.170 -0.000 0.000 0.245 183 I C 2.230 178.368 176.117 0.036 0.000 1.100 183 I CA 0.809 62.146 61.300 0.062 0.000 1.374 183 I CB -0.227 37.806 38.000 0.054 0.000 1.057 183 I HN 0.109 nan 8.210 nan 0.000 0.413 184 V N 1.079 121.013 119.914 0.033 0.000 2.407 184 V HA -0.295 3.825 4.120 -0.000 0.000 0.248 184 V C 2.705 178.776 176.094 -0.038 0.000 1.055 184 V CA 1.983 64.276 62.300 -0.010 0.000 1.049 184 V CB -1.005 30.816 31.823 -0.003 0.000 0.662 184 V HN 0.505 nan 8.190 nan 0.000 0.455 185 A N -0.541 122.309 122.820 0.051 0.000 1.930 185 A HA -0.227 4.093 4.320 -0.000 0.000 0.217 185 A C 2.177 179.795 177.584 0.057 0.000 1.175 185 A CA 1.740 53.849 52.037 0.121 0.000 0.627 185 A CB -0.424 18.735 19.000 0.265 0.000 0.815 185 A HN 0.617 nan 8.150 nan 0.000 0.443 186 E N -0.854 119.374 120.200 0.045 0.000 2.106 186 E HA -0.166 4.184 4.350 -0.000 0.000 0.192 186 E C 2.015 178.611 176.600 -0.008 0.000 0.984 186 E CA 1.174 57.591 56.400 0.028 0.000 0.806 186 E CB -0.329 29.390 29.700 0.033 0.000 0.750 186 E HN 0.702 nan 8.360 nan 0.000 0.458 187 C N 0.463 119.744 119.300 -0.032 0.000 2.453 187 C HA -0.096 4.364 4.460 -0.000 0.000 0.277 187 C C 2.546 177.481 174.990 -0.091 0.000 1.262 187 C CA 0.343 59.327 59.018 -0.056 0.000 1.718 187 C CB -0.707 26.994 27.740 -0.065 0.000 2.031 187 C HN 0.403 nan 8.230 nan 0.000 0.480 188 I N 0.777 121.250 120.570 -0.162 0.000 2.315 188 I HA -0.195 3.974 4.170 -0.000 0.000 0.248 188 I C 2.684 178.736 176.117 -0.108 0.000 1.117 188 I CA 1.533 62.694 61.300 -0.231 0.000 1.404 188 I CB -0.623 37.035 38.000 -0.571 0.000 1.071 188 I HN 0.482 nan 8.210 nan 0.000 0.419 189 E N 0.698 120.873 120.200 -0.041 0.000 2.077 189 E HA -0.272 4.078 4.350 -0.000 0.000 0.193 189 E C 2.209 178.801 176.600 -0.013 0.000 0.989 189 E CA 1.144 57.545 56.400 0.002 0.000 0.800 189 E CB 0.111 29.827 29.700 0.028 0.000 0.746 189 E HN 0.374 nan 8.360 nan 0.000 0.452 190 Q N 0.060 119.848 119.800 -0.021 0.000 2.079 190 Q HA -0.096 4.244 4.340 -0.000 0.000 0.200 190 Q C 2.057 178.044 176.000 -0.022 0.000 0.974 190 Q CA 1.447 57.239 55.803 -0.017 0.000 0.840 190 Q CB -0.424 28.304 28.738 -0.017 0.000 0.898 190 Q HN 0.390 nan 8.270 nan 0.000 0.430 191 A N 0.498 123.296 122.820 -0.036 0.000 1.902 191 A HA -0.140 4.179 4.320 -0.000 0.000 0.217 191 A C 2.248 179.819 177.584 -0.022 0.000 1.181 191 A CA 1.130 53.147 52.037 -0.033 0.000 0.623 191 A CB -0.710 18.258 19.000 -0.054 0.000 0.818 191 A HN 0.348 nan 8.150 nan 0.000 0.443 192 L N -0.838 120.369 121.223 -0.027 0.000 2.093 192 L HA -0.190 4.150 4.340 -0.000 0.000 0.208 192 L C 2.587 179.453 176.870 -0.007 0.000 1.085 192 L CA 1.563 56.393 54.840 -0.017 0.000 0.755 192 L CB -0.380 41.663 42.059 -0.026 0.000 0.904 192 L HN 0.362 nan 8.230 nan 0.000 0.435 193 K N -0.319 120.076 120.400 -0.008 0.000 2.026 193 K HA -0.196 4.124 4.320 -0.000 0.000 0.208 193 K C 2.163 178.763 176.600 0.000 0.000 1.048 193 K CA 1.331 57.616 56.287 -0.003 0.000 0.929 193 K CB -0.132 32.366 32.500 -0.003 0.000 0.713 193 K HN 0.364 nan 8.250 nan 0.000 0.439 194 Q N 0.452 120.251 119.800 -0.001 0.000 2.124 194 Q HA -0.136 4.203 4.340 -0.000 0.000 0.202 194 Q C 1.582 177.586 176.000 0.007 0.000 0.977 194 Q CA 1.012 56.816 55.803 0.002 0.000 0.850 194 Q CB 0.157 28.895 28.738 -0.001 0.000 0.901 194 Q HN 0.252 nan 8.270 nan 0.000 0.429 195 E N 0.419 120.624 120.200 0.010 0.000 2.481 195 E HA -0.062 4.288 4.350 -0.000 0.000 0.195 195 E C -0.218 176.396 176.600 0.022 0.000 1.047 195 E CA 0.198 56.609 56.400 0.020 0.000 0.867 195 E CB 0.235 29.952 29.700 0.029 0.000 0.858 195 E HN 0.340 nan 8.360 nan 0.000 0.513 196 Q N 0.060 119.869 119.800 0.015 0.000 2.460 196 Q HA -0.190 4.149 4.340 -0.000 0.000 0.311 196 Q C -0.620 175.392 176.000 0.020 0.000 1.396 196 Q CA 0.389 56.201 55.803 0.015 0.000 0.838 196 Q CB -1.812 26.936 28.738 0.016 0.000 1.140 196 Q HN 0.239 nan 8.270 nan 0.000 0.415 197 L N -0.523 120.709 121.223 0.016 0.000 2.323 197 L HA 0.636 4.976 4.340 -0.000 0.000 0.265 197 L C -2.048 174.815 176.870 -0.012 0.000 1.012 197 L CA -2.569 52.282 54.840 0.018 0.000 0.820 197 L CB 1.337 43.420 42.059 0.039 0.000 1.334 197 L HN -0.126 nan 8.230 nan 0.000 0.427 198 P HA -0.007 nan 4.420 nan 0.000 0.264 198 P C -0.078 177.179 177.300 -0.072 0.000 1.183 198 P CA -0.141 62.931 63.100 -0.047 0.000 0.763 198 P CB 0.487 32.155 31.700 -0.054 0.000 0.807 199 Q N 2.539 122.308 119.800 -0.053 0.000 2.224 199 Q HA -0.109 4.230 4.340 -0.000 0.000 0.203 199 Q C 1.848 177.804 176.000 -0.073 0.000 0.970 199 Q CA 1.480 57.256 55.803 -0.045 0.000 0.865 199 Q CB -0.656 28.065 28.738 -0.028 0.000 0.922 199 Q HN 0.575 nan 8.270 nan 0.000 0.445 200 A N 0.367 123.127 122.820 -0.100 0.000 2.248 200 A HA -0.069 4.251 4.320 -0.000 0.000 0.210 200 A C 1.948 179.417 177.584 -0.192 0.000 1.174 200 A CA 0.354 52.310 52.037 -0.135 0.000 0.750 200 A CB -0.625 18.305 19.000 -0.117 0.000 0.780 200 A HN 0.300 nan 8.150 nan 0.000 0.478 201 I N -2.316 118.114 120.570 -0.234 0.000 2.394 201 I HA -0.064 4.106 4.170 -0.000 0.000 0.251 201 I C 0.584 176.558 176.117 -0.238 0.000 1.136 201 I CA 0.896 61.946 61.300 -0.416 0.000 1.425 201 I CB 0.031 37.666 38.000 -0.610 0.000 1.079 201 I HN 0.430 nan 8.210 nan 0.000 0.425 202 F N 0.043 119.837 119.950 -0.260 0.000 2.574 202 F HA 0.436 4.963 4.527 -0.001 0.000 0.313 202 F C -0.843 174.867 175.800 -0.151 0.000 1.130 202 F CA -0.382 57.499 58.000 -0.199 0.000 0.936 202 F CB 1.716 40.615 39.000 -0.167 0.000 1.219 202 F HN -0.403 nan 8.300 nan 0.000 0.445 203 T N 6.848 120.783 114.554 -1.031 0.000 2.971 203 T HA 0.479 4.829 4.350 -0.000 0.000 0.304 203 T C -1.761 172.440 174.700 -0.831 0.000 1.038 203 T CA -0.474 61.214 62.100 -0.687 0.000 1.007 203 T CB 1.643 70.270 68.868 -0.402 0.000 1.055 203 T HN 0.612 nan 8.240 nan 0.000 0.451 204 L N 4.382 125.337 121.223 -0.446 0.000 2.287 204 L HA 0.683 5.023 4.340 -0.000 0.000 0.287 204 L C -1.355 175.469 176.870 -0.077 0.000 1.022 204 L CA -0.468 54.234 54.840 -0.231 0.000 0.814 204 L CB 0.451 42.527 42.059 0.029 0.000 1.217 204 L HN 0.604 nan 8.230 nan 0.000 0.420 205 L N 4.935 126.120 121.223 -0.064 0.000 2.331 205 L HA 0.609 4.949 4.340 -0.000 0.000 0.275 205 L C -0.259 176.714 176.870 0.171 0.000 1.022 205 L CA -0.681 54.239 54.840 0.134 0.000 0.812 205 L CB 1.721 43.775 42.059 -0.009 0.000 1.257 205 L HN 0.592 nan 8.230 nan 0.000 0.435 206 Q N 1.358 121.324 119.800 0.278 0.000 2.433 206 Q HA 0.806 5.146 4.340 -0.000 0.000 0.279 206 Q C -0.582 175.430 176.000 0.020 0.000 1.105 206 Q CA -0.840 55.014 55.803 0.086 0.000 0.815 206 Q CB 3.163 31.957 28.738 0.094 0.000 1.403 206 Q HN 0.830 nan 8.270 nan 0.000 0.435 207 G N 1.282 110.071 108.800 -0.018 0.000 2.322 207 G HA2 0.001 3.960 3.960 -0.000 0.000 0.289 207 G HA3 0.001 3.960 3.960 -0.000 0.000 0.289 207 G C -0.605 173.957 174.900 -0.564 0.000 1.687 207 G CA -0.642 44.294 45.100 -0.273 0.000 0.944 207 G HN 0.610 nan 8.290 nan 0.000 0.718 208 N N -0.249 117.982 118.700 -0.782 0.000 2.235 208 N HA 0.063 4.803 4.740 -0.000 0.000 0.209 208 N C 0.230 175.577 175.510 -0.271 0.000 1.122 208 N CA -0.022 52.673 53.050 -0.592 0.000 0.845 208 N CB 0.635 38.692 38.487 -0.716 0.000 1.004 208 N HN 0.651 nan 8.380 nan 0.000 0.499 209 Q N 0.608 120.294 119.800 -0.189 0.000 2.340 209 Q HA 0.329 4.669 4.340 -0.000 0.000 0.259 209 Q C 0.430 176.400 176.000 -0.049 0.000 0.964 209 Q CA -0.777 54.973 55.803 -0.089 0.000 0.900 209 Q CB 1.646 30.352 28.738 -0.054 0.000 1.228 209 Q HN -0.021 nan 8.270 nan 0.000 0.449 210 R N 1.462 121.946 120.500 -0.028 0.000 2.211 210 R HA -0.167 4.173 4.340 -0.000 0.000 0.240 210 R C 1.667 177.987 176.300 0.034 0.000 1.144 210 R CA 1.161 57.267 56.100 0.010 0.000 0.992 210 R CB -0.763 29.543 30.300 0.009 0.000 0.869 210 R HN 0.717 nan 8.270 nan 0.000 0.462 211 A N 1.158 123.991 122.820 0.021 0.000 2.024 211 A HA -0.169 4.151 4.320 -0.000 0.000 0.220 211 A C 2.145 179.759 177.584 0.051 0.000 1.164 211 A CA 1.131 53.187 52.037 0.031 0.000 0.643 211 A CB -0.420 18.592 19.000 0.020 0.000 0.806 211 A HN 0.242 nan 8.150 nan 0.000 0.451 212 L N 0.080 121.332 121.223 0.048 0.000 1.970 212 L HA -0.053 4.287 4.340 -0.000 0.000 0.212 212 L C 2.424 179.357 176.870 0.104 0.000 1.071 212 L CA 2.632 57.507 54.840 0.059 0.000 0.751 212 L CB -1.274 40.807 42.059 0.037 0.000 0.889 212 L HN 0.273 nan 8.230 nan 0.000 0.432 213 G N -1.684 107.220 108.800 0.174 0.000 2.422 213 G HA2 -0.283 3.676 3.960 -0.000 0.000 0.218 213 G HA3 -0.283 3.676 3.960 -0.000 0.000 0.218 213 G C 1.469 176.567 174.900 0.330 0.000 1.146 213 G CA 0.865 46.195 45.100 0.384 0.000 0.769 213 G HN 0.573 nan 8.290 nan 0.000 0.547 214 Q N 0.130 120.037 119.800 0.178 0.000 2.079 214 Q HA 0.079 4.419 4.340 -0.000 0.000 0.200 214 Q C 2.985 179.052 176.000 0.111 0.000 0.974 214 Q CA 1.336 57.208 55.803 0.115 0.000 0.840 214 Q CB -0.250 28.523 28.738 0.058 0.000 0.898 214 Q HN 0.472 nan 8.270 nan 0.000 0.430 215 A N 0.569 123.450 122.820 0.103 0.000 1.930 215 A HA -0.161 4.158 4.320 -0.000 0.000 0.217 215 A C 2.015 179.678 177.584 0.133 0.000 1.175 215 A CA 1.071 53.165 52.037 0.096 0.000 0.627 215 A CB -0.566 18.482 19.000 0.079 0.000 0.815 215 A HN 0.355 nan 8.150 nan 0.000 0.443 216 L N -0.076 121.230 121.223 0.138 0.000 2.017 216 L HA -0.091 4.248 4.340 -0.000 0.000 0.208 216 L C 2.329 179.311 176.870 0.187 0.000 1.073 216 L CA 1.917 56.833 54.840 0.128 0.000 0.745 216 L CB -0.516 41.587 42.059 0.073 0.000 0.894 216 L HN 0.137 nan 8.230 nan 0.000 0.432 217 V N -0.945 119.119 119.914 0.251 0.000 2.626 217 V HA -0.192 3.927 4.120 -0.000 0.000 0.252 217 V C 2.270 178.449 176.094 0.143 0.000 1.067 217 V CA 1.782 64.230 62.300 0.246 0.000 1.081 217 V CB -0.470 31.513 31.823 0.267 0.000 0.686 217 V HN 0.507 nan 8.190 nan 0.000 0.468 218 S N -2.446 113.319 115.700 0.109 0.000 2.548 218 S HA 0.065 4.535 4.470 -0.000 0.000 0.215 218 S C 0.853 175.478 174.600 0.042 0.000 0.976 218 S CA -0.259 57.970 58.200 0.049 0.000 0.908 218 S CB -0.280 62.931 63.200 0.019 0.000 0.781 218 S HN 0.634 nan 8.310 nan 0.000 0.519 219 H N 4.062 123.143 119.070 0.019 0.000 2.929 219 H HA 0.064 4.620 4.556 -0.001 0.000 0.317 219 H C -1.692 173.637 175.328 0.000 0.000 1.031 219 H CA -1.168 54.883 56.048 0.004 0.000 1.466 219 H CB 1.226 30.987 29.762 -0.002 0.000 1.482 219 H HN 0.060 nan 8.280 nan 0.000 0.561 220 P HA -0.145 nan 4.420 nan 0.000 0.221 220 P C 0.722 178.088 177.300 0.110 0.000 1.145 220 P CA 0.991 64.071 63.100 -0.032 0.000 0.795 220 P CB 0.515 32.143 31.700 -0.121 0.000 0.775 221 E N -0.718 119.685 120.200 0.338 0.000 2.435 221 E HA 0.058 4.408 4.350 -0.000 0.000 0.195 221 E C 0.942 177.615 176.600 0.121 0.000 1.029 221 E CA 0.082 56.607 56.400 0.209 0.000 0.865 221 E CB -0.023 29.787 29.700 0.184 0.000 0.833 221 E HN 0.296 nan 8.360 nan 0.000 0.510 222 I N 1.947 122.604 120.570 0.144 0.000 2.416 222 I HA 0.009 4.179 4.170 -0.000 0.000 0.288 222 I C 1.235 177.403 176.117 0.085 0.000 1.051 222 I CA 0.085 61.434 61.300 0.081 0.000 1.375 222 I CB 0.989 39.046 38.000 0.096 0.000 1.407 222 I HN -0.243 nan 8.210 nan 0.000 0.516 223 K N 4.493 124.944 120.400 0.085 0.000 2.358 223 K HA 0.488 4.808 4.320 -0.000 0.000 0.200 223 K C 0.088 176.779 176.600 0.153 0.000 1.030 223 K CA 0.095 56.444 56.287 0.102 0.000 1.097 223 K CB 0.971 33.532 32.500 0.103 0.000 0.862 223 K HN 0.694 nan 8.250 nan 0.000 0.534 224 A N -0.110 122.826 122.820 0.194 0.000 2.583 224 A HA 0.592 4.912 4.320 -0.000 0.000 0.292 224 A C -1.525 176.252 177.584 0.322 0.000 1.045 224 A CA -0.637 51.593 52.037 0.323 0.000 0.672 224 A CB 1.221 20.574 19.000 0.588 0.000 1.283 224 A HN -0.149 nan 8.150 nan 0.000 0.419 225 V N 0.023 120.159 119.914 0.369 0.000 2.789 225 V HA 0.810 4.930 4.120 -0.000 0.000 0.311 225 V C 0.491 176.767 176.094 0.304 0.000 1.073 225 V CA -0.027 62.410 62.300 0.229 0.000 0.921 225 V CB 2.172 34.011 31.823 0.026 0.000 1.009 225 V HN 1.642 nan 8.190 nan 0.000 0.426 226 G N 2.311 111.312 108.800 0.334 0.000 2.478 226 G HA2 0.709 4.668 3.960 -0.000 0.000 0.317 226 G HA3 0.709 4.668 3.960 -0.000 0.000 0.317 226 G C -1.656 173.452 174.900 0.347 0.000 1.259 226 G CA -0.361 44.998 45.100 0.433 0.000 0.933 226 G HN 0.542 nan 8.290 nan 0.000 0.478 227 F N 1.825 121.831 119.950 0.093 0.000 2.569 227 F HA 0.717 5.244 4.527 -0.001 0.000 0.312 227 F C -0.638 175.286 175.800 0.206 0.000 1.109 227 F CA -0.564 57.518 58.000 0.136 0.000 0.919 227 F CB 2.640 41.612 39.000 -0.046 0.000 1.211 227 F HN 0.383 nan 8.300 nan 0.000 0.446 228 T N 4.321 118.563 114.554 -0.521 0.000 2.965 228 T HA 0.754 5.104 4.350 -0.000 0.000 0.306 228 T C -0.251 174.054 174.700 -0.658 0.000 0.991 228 T CA -0.326 61.605 62.100 -0.282 0.000 1.001 228 T CB 1.047 69.933 68.868 0.029 0.000 0.984 228 T HN 1.117 nan 8.240 nan 0.000 0.446 229 G N 1.874 110.449 108.800 -0.374 0.000 2.393 229 G HA2 0.518 4.477 3.960 -0.000 0.000 0.264 229 G HA3 0.518 4.477 3.960 -0.000 0.000 0.264 229 G C -0.597 174.403 174.900 0.167 0.000 1.221 229 G CA -0.236 44.760 45.100 -0.174 0.000 0.912 229 G HN 0.889 nan 8.290 nan 0.000 0.483 230 S N -0.706 115.126 115.700 0.219 0.000 2.585 230 S HA 0.373 4.843 4.470 -0.000 0.000 0.273 230 S C 1.469 176.178 174.600 0.183 0.000 1.339 230 S CA 0.399 58.691 58.200 0.153 0.000 1.028 230 S CB 1.622 64.885 63.200 0.105 0.000 0.906 230 S HN 1.811 nan 8.310 nan 0.000 0.528 231 V N 3.175 123.138 119.914 0.082 0.000 2.427 231 V HA 0.053 4.173 4.120 -0.000 0.000 0.248 231 V C 2.144 178.248 176.094 0.017 0.000 1.051 231 V CA 2.595 64.909 62.300 0.023 0.000 1.048 231 V CB -1.426 30.386 31.823 -0.019 0.000 0.666 231 V HN 1.074 nan 8.190 nan 0.000 0.456 232 G N -0.312 108.508 108.800 0.032 0.000 2.453 232 G HA2 -0.144 3.815 3.960 -0.000 0.000 0.215 232 G HA3 -0.144 3.815 3.960 -0.000 0.000 0.215 232 G C 1.585 176.478 174.900 -0.012 0.000 1.201 232 G CA 0.822 45.932 45.100 0.016 0.000 0.784 232 G HN 0.680 nan 8.290 nan 0.000 0.545 233 G N 0.570 109.378 108.800 0.013 0.000 2.394 233 G HA2 0.128 4.088 3.960 -0.000 0.000 0.215 233 G HA3 0.128 4.088 3.960 -0.000 0.000 0.215 233 G C 1.784 176.541 174.900 -0.239 0.000 1.165 233 G CA 1.331 46.411 45.100 -0.032 0.000 0.784 233 G HN 0.615 nan 8.290 nan 0.000 0.535 234 G N 0.702 109.324 108.800 -0.297 0.000 2.446 234 G HA2 -0.233 3.726 3.960 -0.000 0.000 0.217 234 G HA3 -0.233 3.726 3.960 -0.000 0.000 0.217 234 G C 1.895 176.536 174.900 -0.432 0.000 1.168 234 G CA 1.209 45.854 45.100 -0.758 0.000 0.771 234 G HN 0.430 nan 8.290 nan 0.000 0.551 235 R N 1.176 121.559 120.500 -0.194 0.000 2.092 235 R HA 0.182 4.522 4.340 -0.000 0.000 0.231 235 R C 2.722 178.947 176.300 -0.125 0.000 1.119 235 R CA 1.643 57.681 56.100 -0.103 0.000 0.970 235 R CB -0.913 29.390 30.300 0.006 0.000 0.864 235 R HN 0.242 nan 8.270 nan 0.000 0.440 236 A N 0.490 123.219 122.820 -0.151 0.000 1.877 236 A HA -0.099 4.220 4.320 -0.000 0.000 0.216 236 A C 2.239 179.696 177.584 -0.213 0.000 1.186 236 A CA 1.553 53.508 52.037 -0.137 0.000 0.620 236 A CB -0.647 18.291 19.000 -0.104 0.000 0.822 236 A HN 0.347 nan 8.150 nan 0.000 0.443 237 L N -2.057 118.966 121.223 -0.334 0.000 2.141 237 L HA -0.121 4.219 4.340 -0.000 0.000 0.209 237 L C 2.467 178.917 176.870 -0.700 0.000 1.094 237 L CA 1.370 55.976 54.840 -0.389 0.000 0.763 237 L CB -0.521 41.315 42.059 -0.372 0.000 0.908 237 L HN 0.531 nan 8.230 nan 0.000 0.437 238 F N 1.528 120.739 119.950 -1.232 0.000 2.102 238 F HA -0.224 4.302 4.527 -0.001 0.000 0.298 238 F C 2.361 177.889 175.800 -0.454 0.000 1.105 238 F CA 1.656 58.860 58.000 -1.327 0.000 1.239 238 F CB -0.267 38.191 39.000 -0.904 0.000 0.991 238 F HN 0.106 nan 8.300 nan 0.000 0.474 239 N N 0.963 119.513 118.700 -0.250 0.000 2.166 239 N HA -0.179 4.561 4.740 -0.000 0.000 0.186 239 N C 2.118 177.504 175.510 -0.207 0.000 1.019 239 N CA 1.549 54.487 53.050 -0.187 0.000 0.856 239 N CB -0.717 37.730 38.487 -0.065 0.000 0.993 239 N HN 0.378 nan 8.380 nan 0.000 0.426 240 L N 0.677 121.779 121.223 -0.201 0.000 2.046 240 L HA -0.135 4.205 4.340 -0.000 0.000 0.208 240 L C 2.316 179.091 176.870 -0.158 0.000 1.077 240 L CA 1.190 55.946 54.840 -0.140 0.000 0.747 240 L CB -0.467 41.533 42.059 -0.098 0.000 0.896 240 L HN 0.138 nan 8.230 nan 0.000 0.432 241 A N -0.867 121.822 122.820 -0.217 0.000 1.972 241 A HA -0.238 4.082 4.320 -0.000 0.000 0.219 241 A C 1.685 178.990 177.584 -0.465 0.000 1.169 241 A CA 1.630 53.522 52.037 -0.241 0.000 0.635 241 A CB -0.714 18.204 19.000 -0.135 0.000 0.810 241 A HN 0.517 nan 8.150 nan 0.000 0.446 242 H N -1.124 117.708 119.070 -0.395 0.000 2.551 242 H HA 0.256 4.812 4.556 -0.001 0.000 0.271 242 H C 1.260 176.467 175.328 -0.202 0.000 0.984 242 H CA 0.567 56.418 56.048 -0.328 0.000 1.164 242 H CB 0.351 29.822 29.762 -0.486 0.000 1.437 242 H HN 0.616 nan 8.280 nan 0.000 0.550 243 E N 0.171 120.299 120.200 -0.120 0.000 2.476 243 E HA 0.100 4.449 4.350 -0.000 0.000 0.199 243 E C 0.260 176.811 176.600 -0.082 0.000 1.021 243 E CA -0.169 56.182 56.400 -0.082 0.000 0.907 243 E CB 0.576 30.232 29.700 -0.074 0.000 0.974 243 E HN 0.314 nan 8.360 nan 0.000 0.489 244 R N 1.033 121.469 120.500 -0.106 0.000 2.784 244 R HA 0.007 4.347 4.340 -0.000 0.000 0.266 244 R C -1.639 174.617 176.300 -0.074 0.000 1.044 244 R CA -0.953 55.095 56.100 -0.088 0.000 1.151 244 R CB -0.110 30.130 30.300 -0.099 0.000 1.037 244 R HN -0.095 nan 8.270 nan 0.000 0.478 245 P HA -0.185 nan 4.420 nan 0.000 0.216 245 P C -0.363 176.908 177.300 -0.048 0.000 1.150 245 P CA 1.358 64.429 63.100 -0.048 0.000 0.837 245 P CB 0.232 31.905 31.700 -0.044 0.000 0.786 246 E N -0.365 119.803 120.200 -0.055 0.000 2.255 246 E HA 0.276 4.625 4.350 -0.000 0.000 0.245 246 E C -2.597 173.951 176.600 -0.088 0.000 0.909 246 E CA -2.866 53.502 56.400 -0.053 0.000 0.747 246 E CB 0.883 30.564 29.700 -0.032 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 -0.611 176.552 177.300 -0.229 0.000 1.200 247 P CA 0.244 63.201 63.100 -0.238 0.000 0.772 247 P CB 0.397 31.977 31.700 -0.201 0.000 0.855 248 I N -0.784 119.580 120.570 -0.342 0.000 2.785 248 I HA 0.656 4.826 4.170 -0.000 0.000 0.302 248 I C -2.844 173.150 176.117 -0.205 0.000 1.069 248 I CA -3.572 57.624 61.300 -0.174 0.000 1.045 248 I CB 2.214 40.188 38.000 -0.044 0.000 1.236 248 I HN 0.041 nan 8.210 nan 0.000 0.429 249 P HA 0.120 nan 4.420 nan 0.000 0.265 249 P C -1.334 175.922 177.300 -0.073 0.000 1.193 249 P CA 0.468 63.477 63.100 -0.152 0.000 0.765 249 P CB 0.104 31.698 31.700 -0.178 0.000 0.823 250 F N 4.138 123.959 119.950 -0.216 0.000 2.496 250 F HA 0.395 4.922 4.527 -0.001 0.000 0.341 250 F C -1.152 174.623 175.800 -0.042 0.000 1.134 250 F CA -0.831 57.195 58.000 0.043 0.000 0.968 250 F CB 0.825 39.992 39.000 0.278 0.000 1.205 250 F HN 0.224 nan 8.300 nan 0.000 0.436 251 Y N 4.662 124.997 120.300 0.058 0.000 2.717 251 Y HA 0.548 5.098 4.550 -0.001 0.000 0.329 251 Y C 0.625 176.623 175.900 0.164 0.000 1.017 251 Y CA -0.954 57.235 58.100 0.148 0.000 1.275 251 Y CB 1.189 39.667 38.460 0.030 0.000 1.109 251 Y HN 0.686 nan 8.280 nan 0.000 0.511 252 G N 1.706 110.775 108.800 0.447 0.000 2.470 252 G HA2 0.528 4.487 3.960 -0.000 0.000 0.320 252 G HA3 0.528 4.487 3.960 -0.000 0.000 0.320 252 G C -1.065 174.084 174.900 0.415 0.000 1.245 252 G CA -0.776 44.648 45.100 0.539 0.000 0.935 252 G HN 0.328 nan 8.290 nan 0.000 0.476 253 E N 1.961 122.392 120.200 0.384 0.000 2.046 253 E HA 0.322 4.672 4.350 -0.000 0.000 0.279 253 E C 0.946 177.684 176.600 0.230 0.000 0.989 253 E CA -0.345 56.191 56.400 0.228 0.000 0.798 253 E CB 1.585 31.404 29.700 0.198 0.000 1.086 253 E HN 0.372 nan 8.360 nan 0.000 0.399 254 L N 1.338 122.639 121.223 0.129 0.000 2.463 254 L HA 0.462 4.802 4.340 -0.000 0.000 0.219 254 L C 0.939 177.833 176.870 0.039 0.000 1.088 254 L CA 0.142 55.044 54.840 0.103 0.000 0.849 254 L CB 0.135 42.175 42.059 -0.032 0.000 1.012 254 L HN 0.597 nan 8.230 nan 0.000 0.468 255 G N -0.212 108.596 108.800 0.014 0.000 2.350 255 G HA2 0.495 4.455 3.960 -0.000 0.000 0.305 255 G HA3 0.495 4.455 3.960 -0.000 0.000 0.305 255 G C -1.969 172.954 174.900 0.039 0.000 1.479 255 G CA -0.117 45.009 45.100 0.042 0.000 0.949 255 G HN 0.236 nan 8.290 nan 0.000 0.651 256 A N -0.561 122.316 122.820 0.095 0.000 2.583 256 A HA 0.764 5.084 4.320 -0.000 0.000 0.292 256 A C 0.045 177.723 177.584 0.156 0.000 1.045 256 A CA 0.174 52.276 52.037 0.108 0.000 0.672 256 A CB 0.864 19.920 19.000 0.093 0.000 1.283 256 A HN 1.830 nan 8.150 nan 0.000 0.419 257 I N 0.319 120.992 120.570 0.171 0.000 4.057 257 I HA 0.101 4.271 4.170 -0.000 0.000 0.334 257 I C -0.125 176.102 176.117 0.183 0.000 1.308 257 I CA -0.021 61.393 61.300 0.190 0.000 1.125 257 I CB -0.178 37.958 38.000 0.226 0.000 1.034 257 I HN 0.702 nan 8.210 nan 0.000 0.401 258 N N 2.650 121.460 118.700 0.183 0.000 2.642 258 N HA -0.114 4.626 4.740 -0.000 0.000 0.269 258 N C -2.320 173.300 175.510 0.184 0.000 1.073 258 N CA 0.421 53.584 53.050 0.188 0.000 0.748 258 N CB -1.144 37.465 38.487 0.202 0.000 0.894 258 N HN 0.335 nan 8.380 nan 0.000 0.548 259 P HA 0.010 nan 4.420 nan 0.000 0.264 259 P C -0.297 177.087 177.300 0.140 0.000 1.193 259 P CA 0.578 63.778 63.100 0.167 0.000 0.763 259 P CB 0.704 32.596 31.700 0.321 0.000 0.810 260 T N 4.078 118.613 114.554 -0.032 0.000 2.812 260 T HA 0.493 4.843 4.350 -0.000 0.000 0.282 260 T C -0.559 174.044 174.700 -0.162 0.000 0.990 260 T CA -0.094 62.021 62.100 0.026 0.000 0.960 260 T CB 0.310 69.231 68.868 0.089 0.000 0.948 260 T HN 0.091 nan 8.240 nan 0.000 0.438 261 F N 3.066 123.070 119.950 0.090 0.000 2.411 261 F HA 0.571 5.098 4.527 -0.000 0.000 0.352 261 F C 0.244 176.046 175.800 0.003 0.000 1.123 261 F CA -1.144 56.878 58.000 0.037 0.000 1.044 261 F CB 0.883 39.909 39.000 0.044 0.000 1.135 261 F HN 0.330 nan 8.300 nan 0.000 0.461 262 I N 4.534 125.091 120.570 -0.022 0.000 2.382 262 I HA 0.298 4.467 4.170 -0.000 0.000 0.286 262 I C -0.740 175.310 176.117 -0.111 0.000 1.002 262 I CA -0.603 60.667 61.300 -0.050 0.000 1.135 262 I CB 0.999 38.817 38.000 -0.303 0.000 1.288 262 I HN 0.335 nan 8.210 nan 0.000 0.448 263 F N 7.309 127.246 119.950 -0.021 0.000 2.371 263 F HA 0.308 4.835 4.527 -0.000 0.000 0.329 263 F C -1.277 174.497 175.800 -0.044 0.000 1.107 263 F CA -1.673 56.320 58.000 -0.012 0.000 1.137 263 F CB 0.305 39.321 39.000 0.025 0.000 1.214 263 F HN 0.311 nan 8.300 nan 0.000 0.536 264 P HA -0.232 nan 4.420 nan 0.000 0.216 264 P C 1.636 178.976 177.300 0.067 0.000 1.157 264 P CA 2.474 65.607 63.100 0.055 0.000 0.880 264 P CB -0.012 31.721 31.700 0.055 0.000 0.791 265 S N -0.717 115.042 115.700 0.098 0.000 2.399 265 S HA -0.151 4.319 4.470 -0.000 0.000 0.231 265 S C 2.069 176.701 174.600 0.055 0.000 1.022 265 S CA 1.249 59.485 58.200 0.060 0.000 0.983 265 S CB -1.406 61.818 63.200 0.040 0.000 0.803 265 S HN 0.131 nan 8.310 nan 0.000 0.480 266 A N 1.846 124.711 122.820 0.076 0.000 1.930 266 A HA 0.159 4.479 4.320 -0.000 0.000 0.217 266 A C 2.350 179.962 177.584 0.046 0.000 1.175 266 A CA 1.448 53.521 52.037 0.060 0.000 0.627 266 A CB -0.680 18.370 19.000 0.082 0.000 0.815 266 A HN 0.595 nan 8.150 nan 0.000 0.443 267 M N -1.078 118.540 119.600 0.029 0.000 2.132 267 M HA -0.113 4.367 4.480 -0.000 0.000 0.263 267 M C 2.338 178.674 176.300 0.060 0.000 1.065 267 M CA 1.318 56.642 55.300 0.039 0.000 1.122 267 M CB -0.319 32.281 32.600 -0.001 0.000 1.365 267 M HN 0.356 nan 8.290 nan 0.000 0.411 268 R N 0.211 120.739 120.500 0.046 0.000 2.092 268 R HA -0.030 4.310 4.340 -0.000 0.000 0.231 268 R C 2.287 178.613 176.300 0.043 0.000 1.119 268 R CA 1.379 57.505 56.100 0.042 0.000 0.970 268 R CB -0.455 29.865 30.300 0.033 0.000 0.864 268 R HN 0.343 nan 8.270 nan 0.000 0.440 269 A N 1.284 124.131 122.820 0.044 0.000 1.968 269 A HA -0.047 4.273 4.320 -0.000 0.000 0.217 269 A C 0.606 178.223 177.584 0.055 0.000 1.169 269 A CA 0.903 52.966 52.037 0.043 0.000 0.638 269 A CB 0.167 19.191 19.000 0.039 0.000 0.812 269 A HN 0.106 nan 8.150 nan 0.000 0.446 270 K N -0.449 119.993 120.400 0.070 0.000 2.521 270 K HA 0.530 4.849 4.320 -0.000 0.000 0.248 270 K C 0.498 177.152 176.600 0.091 0.000 0.978 270 K CA 0.180 56.517 56.287 0.084 0.000 0.947 270 K CB 1.609 34.174 32.500 0.108 0.000 1.165 270 K HN 0.159 nan 8.250 nan 0.000 0.445 271 A N 2.323 125.185 122.820 0.070 0.000 2.019 271 A HA -0.157 4.162 4.320 -0.000 0.000 0.219 271 A C 1.215 178.835 177.584 0.060 0.000 1.164 271 A CA 1.657 53.731 52.037 0.062 0.000 0.644 271 A CB -0.207 18.817 19.000 0.041 0.000 0.805 271 A HN 0.787 nan 8.150 nan 0.000 0.449 272 D N -0.837 119.601 120.400 0.063 0.000 2.395 272 D HA 0.091 4.731 4.640 -0.000 0.000 0.226 272 D C 1.151 177.498 176.300 0.079 0.000 1.146 272 D CA -0.295 53.732 54.000 0.044 0.000 0.830 272 D CB -0.217 40.602 40.800 0.032 0.000 0.958 272 D HN 0.204 nan 8.370 nan 0.000 0.501 273 L N 1.371 122.685 121.223 0.152 0.000 2.042 273 L HA -0.045 4.295 4.340 -0.000 0.000 0.210 273 L C 2.353 179.378 176.870 0.258 0.000 1.076 273 L CA 1.856 56.861 54.840 0.275 0.000 0.749 273 L CB -0.845 41.411 42.059 0.328 0.000 0.893 273 L HN 0.160 nan 8.230 nan 0.000 0.432 274 A N -0.893 121.922 122.820 -0.008 0.000 1.933 274 A HA -0.256 4.064 4.320 -0.000 0.000 0.218 274 A C 1.924 179.344 177.584 -0.273 0.000 1.175 274 A CA 2.028 53.728 52.037 -0.561 0.000 0.628 274 A CB -0.918 17.626 19.000 -0.761 0.000 0.814 274 A HN 0.555 nan 8.150 nan 0.000 0.444 275 D N -0.650 119.650 120.400 -0.168 0.000 2.117 275 D HA -0.143 4.496 4.640 -0.000 0.000 0.197 275 D C 2.217 178.394 176.300 -0.206 0.000 0.987 275 D CA 1.467 55.366 54.000 -0.167 0.000 0.829 275 D CB -0.180 40.558 40.800 -0.103 0.000 0.961 275 D HN 0.592 nan 8.370 nan 0.000 0.460 276 Q N -0.674 119.034 119.800 -0.153 0.000 2.079 276 Q HA -0.141 4.199 4.340 -0.000 0.000 0.200 276 Q C 1.890 177.445 176.000 -0.742 0.000 0.974 276 Q CA 0.751 56.378 55.803 -0.294 0.000 0.840 276 Q CB -0.166 28.591 28.738 0.032 0.000 0.898 276 Q HN 0.317 nan 8.270 nan 0.000 0.430 277 F N 1.048 120.520 119.950 -0.797 0.000 2.069 277 F HA -0.227 4.300 4.527 -0.000 0.000 0.298 277 F C 1.968 177.403 175.800 -0.608 0.000 1.113 277 F CA 1.218 58.654 58.000 -0.940 0.000 1.214 277 F CB -0.659 38.163 39.000 -0.296 0.000 0.978 277 F HN -0.201 nan 8.300 nan 0.000 0.474 278 V N 0.851 120.319 119.914 -0.744 0.000 2.392 278 V HA -0.305 3.815 4.120 -0.000 0.000 0.249 278 V C 2.805 178.571 176.094 -0.547 0.000 1.059 278 V CA 1.815 63.684 62.300 -0.720 0.000 1.051 278 V CB -1.714 29.836 31.823 -0.456 0.000 0.658 278 V HN 0.538 nan 8.190 nan 0.000 0.455 279 A N -0.855 121.684 122.820 -0.467 0.000 1.930 279 A HA -0.216 4.104 4.320 -0.000 0.000 0.217 279 A C 2.554 179.891 177.584 -0.411 0.000 1.175 279 A CA 2.146 53.960 52.037 -0.372 0.000 0.627 279 A CB -0.673 18.146 19.000 -0.301 0.000 0.815 279 A HN 0.488 nan 8.150 nan 0.000 0.443 280 S N 0.005 115.383 115.700 -0.537 0.000 2.355 280 S HA -0.179 4.291 4.470 -0.000 0.000 0.222 280 S C 2.180 176.562 174.600 -0.364 0.000 1.031 280 S CA 1.781 59.717 58.200 -0.440 0.000 0.993 280 S CB -0.509 62.397 63.200 -0.490 0.000 0.859 280 S HN 0.679 nan 8.310 nan 0.000 0.453 281 M N 0.892 120.226 119.600 -0.444 0.000 2.476 281 M HA 0.067 4.547 4.480 -0.000 0.000 0.262 281 M C 1.517 177.637 176.300 -0.300 0.000 1.079 281 M CA 1.701 56.792 55.300 -0.348 0.000 1.104 281 M CB -0.755 31.540 32.600 -0.510 0.000 1.409 281 M HN 0.351 nan 8.290 nan 0.000 0.467 282 T N -2.609 111.748 114.554 -0.328 0.000 3.054 282 T HA 0.339 4.689 4.350 -0.000 0.000 0.255 282 T C 0.561 175.124 174.700 -0.228 0.000 1.035 282 T CA -0.474 61.472 62.100 -0.256 0.000 0.941 282 T CB -0.096 68.625 68.868 -0.244 0.000 1.026 282 T HN 0.434 nan 8.240 nan 0.000 0.533 283 M N 2.368 121.793 119.600 -0.292 0.000 2.252 283 M HA 0.359 4.839 4.480 -0.000 0.000 0.348 283 M C 1.257 177.467 176.300 -0.149 0.000 1.334 283 M CA 1.351 56.460 55.300 -0.319 0.000 1.071 283 M CB -0.108 32.122 32.600 -0.616 0.000 1.763 283 M HN 0.593 nan 8.290 nan 0.000 0.452 284 G N 3.706 112.516 108.800 0.016 0.000 2.283 284 G HA2 -0.283 3.676 3.960 -0.000 0.000 0.280 284 G HA3 -0.283 3.676 3.960 -0.000 0.000 0.280 284 G C 0.431 175.332 174.900 0.001 0.000 1.029 284 G CA 0.048 45.233 45.100 0.142 0.000 0.840 284 G HN 1.100 nan 8.290 nan 0.000 0.505 285 C N -2.180 117.069 119.300 -0.084 0.000 4.365 285 C HA 0.005 4.464 4.460 -0.000 0.000 0.299 285 C C 2.405 177.264 174.990 -0.219 0.000 1.409 285 C CA 1.417 60.340 59.018 -0.158 0.000 2.007 285 C CB -1.823 25.818 27.740 -0.166 0.000 1.264 285 C HN 2.726 nan 8.230 nan 0.000 0.777 286 G N -0.494 108.205 108.800 -0.169 0.000 2.155 286 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.257 286 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.257 286 G C 0.150 174.879 174.900 -0.286 0.000 0.983 286 G CA 0.722 45.708 45.100 -0.191 0.000 0.676 286 G HN 0.852 nan 8.290 nan 0.000 0.528 287 Q N -0.533 119.134 119.800 -0.222 0.000 2.620 287 Q HA 0.487 4.826 4.340 -0.000 0.000 0.333 287 Q C -0.544 175.520 176.000 0.108 0.000 1.017 287 Q CA -0.045 55.492 55.803 -0.442 0.000 0.962 287 Q CB 0.088 28.675 28.738 -0.252 0.000 1.297 287 Q HN 0.421 nan 8.270 nan 0.000 0.419 288 F N -0.718 119.240 119.950 0.013 0.000 2.495 288 F HA 0.143 4.670 4.527 -0.001 0.000 0.327 288 F C 1.236 177.199 175.800 0.272 0.000 1.103 288 F CA -1.643 56.498 58.000 0.235 0.000 0.949 288 F CB 1.043 40.147 39.000 0.173 0.000 1.142 288 F HN 0.259 nan 8.300 nan 0.000 0.457 289 C N -1.509 118.019 119.300 0.380 0.000 2.432 289 C HA -0.046 4.414 4.460 -0.000 0.000 0.282 289 C C 1.887 177.047 174.990 0.284 0.000 1.388 289 C CA 0.874 60.074 59.018 0.303 0.000 1.777 289 C CB -1.981 25.855 27.740 0.159 0.000 1.882 289 C HN 0.872 nan 8.230 nan 0.000 0.520 290 T N -2.385 112.374 114.554 0.341 0.000 3.163 290 T HA 0.116 4.466 4.350 -0.000 0.000 0.252 290 T C 0.459 175.332 174.700 0.288 0.000 1.056 290 T CA -0.208 62.077 62.100 0.308 0.000 0.947 290 T CB -0.303 68.771 68.868 0.343 0.000 1.016 290 T HN 0.666 nan 8.240 nan 0.000 0.554 291 K N 3.500 124.071 120.400 0.285 0.000 2.451 291 K HA 0.094 4.414 4.320 -0.000 0.000 0.280 291 K C -2.401 174.324 176.600 0.208 0.000 1.020 291 K CA -1.570 54.835 56.287 0.197 0.000 1.008 291 K CB 0.413 32.999 32.500 0.143 0.000 0.917 291 K HN 0.103 nan 8.250 nan 0.000 0.478 292 P HA 0.017 nan 4.420 nan 0.000 0.268 292 P C 0.126 177.580 177.300 0.256 0.000 1.282 292 P CA 0.043 63.325 63.100 0.304 0.000 0.880 292 P CB 0.747 32.746 31.700 0.498 0.000 0.971 293 G N 2.746 111.660 108.800 0.191 0.000 2.683 293 G HA2 0.127 4.087 3.960 -0.000 0.000 0.213 293 G HA3 0.127 4.087 3.960 -0.000 0.000 0.213 293 G C 0.057 175.007 174.900 0.084 0.000 1.142 293 G CA 0.202 45.395 45.100 0.155 0.000 0.793 293 G HN 0.518 nan 8.290 nan 0.000 0.534 294 V N 0.256 120.162 119.914 -0.013 0.000 2.817 294 V HA 0.576 4.696 4.120 -0.000 0.000 0.303 294 V C -1.552 174.257 176.094 -0.475 0.000 1.151 294 V CA -0.682 61.440 62.300 -0.297 0.000 0.929 294 V CB 2.380 33.911 31.823 -0.488 0.000 1.030 294 V HN -0.101 nan 8.190 nan 0.000 0.427 295 V N 7.279 126.827 119.914 -0.609 0.000 2.448 295 V HA 0.578 4.698 4.120 -0.000 0.000 0.295 295 V C -0.723 174.875 176.094 -0.826 0.000 1.025 295 V CA -0.447 61.484 62.300 -0.615 0.000 0.859 295 V CB 1.583 33.074 31.823 -0.554 0.000 0.988 295 V HN 0.719 nan 8.190 nan 0.000 0.431 296 F N 3.347 122.943 119.950 -0.590 0.000 2.415 296 F HA 0.823 5.349 4.527 -0.000 0.000 0.348 296 F C 0.527 176.077 175.800 -0.417 0.000 1.119 296 F CA -0.240 57.434 58.000 -0.544 0.000 1.069 296 F CB 1.733 40.294 39.000 -0.732 0.000 1.124 296 F HN 0.601 nan 8.300 nan 0.000 0.472 297 A N 3.531 126.237 122.820 -0.190 0.000 2.566 297 A HA 0.837 5.157 4.320 -0.000 0.000 0.292 297 A C -1.221 176.268 177.584 -0.158 0.000 1.112 297 A CA -0.823 51.074 52.037 -0.232 0.000 0.707 297 A CB 1.278 20.083 19.000 -0.324 0.000 1.302 297 A HN 0.691 nan 8.150 nan 0.000 0.409 298 L N 0.635 121.761 121.223 -0.161 0.000 2.421 298 L HA 0.326 4.666 4.340 -0.000 0.000 0.263 298 L C 0.951 177.783 176.870 -0.065 0.000 1.122 298 L CA -0.400 54.381 54.840 -0.099 0.000 0.804 298 L CB 0.740 42.746 42.059 -0.090 0.000 1.150 298 L HN 0.907 nan 8.230 nan 0.000 0.457 299 N N 0.840 119.520 118.700 -0.033 0.000 3.050 299 N HA 0.045 4.785 4.740 -0.000 0.000 0.289 299 N C -0.606 174.899 175.510 -0.009 0.000 1.209 299 N CA -0.269 52.772 53.050 -0.015 0.000 1.154 299 N CB 0.156 38.643 38.487 0.000 0.000 1.444 299 N HN 0.706 nan 8.380 nan 0.000 0.529 300 T N -1.503 113.043 114.554 -0.014 0.000 2.888 300 T HA 0.406 4.756 4.350 -0.000 0.000 0.288 300 T C -2.109 172.594 174.700 0.004 0.000 1.063 300 T CA -1.712 60.386 62.100 -0.003 0.000 1.010 300 T CB 1.720 70.586 68.868 -0.003 0.000 1.214 300 T HN -0.116 nan 8.240 nan 0.000 0.533 301 P HA -0.013 nan 4.420 nan 0.000 0.218 301 P C 1.104 178.421 177.300 0.028 0.000 1.148 301 P CA 0.985 64.096 63.100 0.019 0.000 0.822 301 P CB 0.059 31.770 31.700 0.018 0.000 0.784 302 E N -1.177 119.039 120.200 0.025 0.000 2.085 302 E HA -0.138 4.212 4.350 -0.000 0.000 0.194 302 E C 1.981 178.615 176.600 0.057 0.000 0.994 302 E CA 1.655 58.079 56.400 0.039 0.000 0.801 302 E CB -1.298 28.415 29.700 0.022 0.000 0.743 302 E HN 0.210 nan 8.360 nan 0.000 0.453 303 T N 0.319 114.880 114.554 0.011 0.000 2.777 303 T HA -0.179 4.171 4.350 -0.000 0.000 0.266 303 T C 1.818 176.567 174.700 0.082 0.000 1.040 303 T CA 1.390 63.491 62.100 0.002 0.000 1.141 303 T CB -0.228 68.604 68.868 -0.061 0.000 0.868 303 T HN 0.040 nan 8.240 nan 0.000 0.444 304 Q N 1.275 121.106 119.800 0.051 0.000 2.170 304 Q HA 0.064 4.404 4.340 -0.000 0.000 0.203 304 Q C 2.182 178.219 176.000 0.063 0.000 0.976 304 Q CA 1.734 57.566 55.803 0.049 0.000 0.858 304 Q CB -0.651 28.104 28.738 0.027 0.000 0.907 304 Q HN 0.521 nan 8.270 nan 0.000 0.433 305 A N -0.807 122.058 122.820 0.076 0.000 1.929 305 A HA -0.067 4.253 4.320 -0.000 0.000 0.216 305 A C 1.964 179.605 177.584 0.096 0.000 1.176 305 A CA 0.977 53.054 52.037 0.067 0.000 0.628 305 A CB -0.871 18.167 19.000 0.063 0.000 0.816 305 A HN 0.514 nan 8.150 nan 0.000 0.444 306 F N 0.912 120.851 119.950 -0.018 0.000 2.095 306 F HA -0.196 4.331 4.527 -0.000 0.000 0.298 306 F C 1.977 177.769 175.800 -0.013 0.000 1.104 306 F CA 1.953 59.942 58.000 -0.018 0.000 1.232 306 F CB -0.206 38.770 39.000 -0.040 0.000 0.987 306 F HN 0.181 nan 8.300 nan 0.000 0.475 307 I N 0.336 121.029 120.570 0.206 0.000 2.163 307 I HA -0.309 3.861 4.170 -0.000 0.000 0.243 307 I C 2.267 178.370 176.117 -0.025 0.000 1.085 307 I CA 1.860 63.211 61.300 0.084 0.000 1.347 307 I CB -0.636 37.414 38.000 0.084 0.000 1.044 307 I HN 0.253 nan 8.210 nan 0.000 0.408 308 E N 0.152 120.341 120.200 -0.018 0.000 2.110 308 E HA -0.171 4.179 4.350 -0.000 0.000 0.193 308 E C 2.138 178.692 176.600 -0.077 0.000 0.988 308 E CA 1.744 58.118 56.400 -0.042 0.000 0.804 308 E CB -0.160 29.526 29.700 -0.023 0.000 0.745 308 E HN 0.482 nan 8.360 nan 0.000 0.458 309 T N 0.979 115.472 114.554 -0.103 0.000 2.737 309 T HA -0.126 4.223 4.350 -0.000 0.000 0.265 309 T C 2.044 176.633 174.700 -0.184 0.000 1.038 309 T CA 1.220 63.237 62.100 -0.138 0.000 1.144 309 T CB -0.211 68.562 68.868 -0.158 0.000 0.866 309 T HN 0.247 nan 8.240 nan 0.000 0.434 310 A N 1.363 124.033 122.820 -0.250 0.000 1.877 310 A HA -0.175 4.145 4.320 -0.000 0.000 0.216 310 A C 2.284 179.768 177.584 -0.166 0.000 1.186 310 A CA 1.623 53.518 52.037 -0.235 0.000 0.620 310 A CB -0.731 18.146 19.000 -0.205 0.000 0.822 310 A HN 0.529 nan 8.150 nan 0.000 0.443 311 Q N -0.798 118.924 119.800 -0.130 0.000 2.096 311 Q HA -0.160 4.180 4.340 -0.000 0.000 0.204 311 Q C 2.464 178.395 176.000 -0.114 0.000 0.982 311 Q CA 1.728 57.459 55.803 -0.120 0.000 0.850 311 Q CB -0.239 28.440 28.738 -0.099 0.000 0.901 311 Q HN 0.681 nan 8.270 nan 0.000 0.422 312 S N 0.179 115.817 115.700 -0.104 0.000 2.368 312 S HA -0.082 4.387 4.470 -0.000 0.000 0.224 312 S C 1.859 176.400 174.600 -0.099 0.000 1.029 312 S CA 0.742 58.888 58.200 -0.089 0.000 0.988 312 S CB -0.104 63.049 63.200 -0.079 0.000 0.838 312 S HN 0.290 nan 8.310 nan 0.000 0.462 313 L N 1.063 122.211 121.223 -0.124 0.000 2.056 313 L HA -0.060 4.279 4.340 -0.000 0.000 0.207 313 L C 2.421 179.211 176.870 -0.134 0.000 1.078 313 L CA 0.764 55.524 54.840 -0.134 0.000 0.749 313 L CB -0.520 41.437 42.059 -0.171 0.000 0.901 313 L HN 0.335 nan 8.230 nan 0.000 0.433 314 I N 0.172 120.653 120.570 -0.148 0.000 2.163 314 I HA -0.281 3.889 4.170 -0.000 0.000 0.243 314 I C 2.711 178.772 176.117 -0.094 0.000 1.085 314 I CA 1.600 62.816 61.300 -0.139 0.000 1.347 314 I CB -1.035 36.868 38.000 -0.161 0.000 1.044 314 I HN 0.322 nan 8.210 nan 0.000 0.408 315 R N 0.357 120.807 120.500 -0.084 0.000 2.105 315 R HA -0.197 4.143 4.340 -0.000 0.000 0.239 315 R C 2.124 178.395 176.300 -0.048 0.000 1.135 315 R CA 1.218 57.286 56.100 -0.054 0.000 0.967 315 R CB -0.324 29.945 30.300 -0.052 0.000 0.861 315 R HN 0.555 nan 8.270 nan 0.000 0.442 316 Q N 0.410 120.173 119.800 -0.062 0.000 2.311 316 Q HA -0.086 4.254 4.340 -0.000 0.000 0.203 316 Q C 0.484 176.449 176.000 -0.059 0.000 0.954 316 Q CA 0.230 55.998 55.803 -0.058 0.000 0.885 316 Q CB 0.122 28.820 28.738 -0.066 0.000 0.963 316 Q HN 0.120 nan 8.270 nan 0.000 0.471 317 Q N 1.721 121.478 119.800 -0.071 0.000 2.304 317 Q HA -0.041 4.298 4.340 -0.000 0.000 0.301 317 Q C -0.507 175.461 176.000 -0.053 0.000 1.063 317 Q CA 0.032 55.791 55.803 -0.074 0.000 0.947 317 Q CB 0.595 29.279 28.738 -0.090 0.000 1.201 317 Q HN 0.228 nan 8.270 nan 0.000 0.389 318 S N 4.039 119.707 115.700 -0.052 0.000 2.593 318 S HA 0.487 4.956 4.470 -0.000 0.000 0.269 318 S C -2.260 172.319 174.600 -0.035 0.000 1.334 318 S CA -1.259 56.918 58.200 -0.038 0.000 1.015 318 S CB 0.478 63.658 63.200 -0.034 0.000 0.912 318 S HN 0.562 nan 8.310 nan 0.000 0.541 319 P HA 0.258 nan 4.420 nan 0.000 0.268 319 P C -0.827 176.456 177.300 -0.029 0.000 1.205 319 P CA -0.080 63.008 63.100 -0.021 0.000 0.771 319 P CB 0.532 32.227 31.700 -0.008 0.000 0.858 320 S N 1.015 116.685 115.700 -0.050 0.000 2.501 320 S HA 0.503 4.973 4.470 -0.000 0.000 0.301 320 S C -0.359 174.195 174.600 -0.077 0.000 1.096 320 S CA -0.537 57.617 58.200 -0.078 0.000 1.063 320 S CB 1.048 64.163 63.200 -0.141 0.000 1.042 320 S HN 0.287 nan 8.310 nan 0.000 0.494 321 T N 3.667 118.173 114.554 -0.080 0.000 2.770 321 T HA 0.418 4.768 4.350 -0.000 0.000 0.297 321 T C 0.123 174.729 174.700 -0.157 0.000 0.997 321 T CA -0.455 61.580 62.100 -0.108 0.000 0.949 321 T CB 0.049 68.840 68.868 -0.129 0.000 0.941 321 T HN 0.349 nan 8.240 nan 0.000 0.457 322 L N 3.256 124.397 121.223 -0.137 0.000 2.466 322 L HA 0.350 4.690 4.340 -0.000 0.000 0.257 322 L C 1.890 178.691 176.870 -0.114 0.000 1.189 322 L CA -0.738 54.030 54.840 -0.120 0.000 0.813 322 L CB 0.340 42.351 42.059 -0.080 0.000 1.118 322 L HN 0.601 nan 8.230 nan 0.000 0.471 323 L N 0.131 121.313 121.223 -0.068 0.000 2.103 323 L HA -0.183 4.157 4.340 -0.000 0.000 0.215 323 L C 1.006 177.834 176.870 -0.069 0.000 1.080 323 L CA 1.730 56.525 54.840 -0.075 0.000 0.764 323 L CB -0.905 41.146 42.059 -0.012 0.000 0.890 323 L HN 0.889 nan 8.230 nan 0.000 0.435 324 T N -7.530 107.011 114.554 -0.022 0.000 2.868 324 T HA 0.349 4.699 4.350 -0.000 0.000 0.306 324 T C -2.453 172.256 174.700 0.015 0.000 1.224 324 T CA -1.525 60.574 62.100 -0.002 0.000 1.012 324 T CB 1.902 70.793 68.868 0.039 0.000 1.221 324 T HN -0.367 nan 8.240 nan 0.000 0.499 325 P HA 0.048 nan 4.420 nan 0.000 0.218 325 P C 1.786 179.118 177.300 0.053 0.000 1.149 325 P CA 1.415 64.534 63.100 0.031 0.000 0.817 325 P CB -0.311 31.408 31.700 0.033 0.000 0.785 326 G N -0.095 108.742 108.800 0.061 0.000 2.421 326 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.216 326 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.216 326 G C 1.526 176.483 174.900 0.095 0.000 1.171 326 G CA 0.535 45.679 45.100 0.073 0.000 0.775 326 G HN 0.229 nan 8.290 nan 0.000 0.543 327 I N 0.267 120.900 120.570 0.105 0.000 2.361 327 I HA -0.132 4.038 4.170 -0.000 0.000 0.251 327 I C 2.838 179.055 176.117 0.167 0.000 1.133 327 I CA 0.929 62.322 61.300 0.155 0.000 1.413 327 I CB -0.193 37.914 38.000 0.178 0.000 1.073 327 I HN 0.152 nan 8.210 nan 0.000 0.424 328 R N 1.036 121.604 120.500 0.112 0.000 2.081 328 R HA -0.203 4.137 4.340 -0.000 0.000 0.235 328 R C 1.768 178.160 176.300 0.153 0.000 1.131 328 R CA 2.020 58.187 56.100 0.112 0.000 0.960 328 R CB -0.172 30.162 30.300 0.056 0.000 0.856 328 R HN 0.290 nan 8.270 nan 0.000 0.436 329 D N -0.080 120.389 120.400 0.115 0.000 2.097 329 D HA -0.086 4.554 4.640 -0.000 0.000 0.197 329 D C 1.998 178.367 176.300 0.115 0.000 0.984 329 D CA 1.443 55.502 54.000 0.099 0.000 0.826 329 D CB -0.277 40.566 40.800 0.072 0.000 0.973 329 D HN 0.149 nan 8.370 nan 0.000 0.460 330 S N -0.098 115.684 115.700 0.136 0.000 2.370 330 S HA -0.193 4.277 4.470 -0.000 0.000 0.226 330 S C 1.826 176.523 174.600 0.163 0.000 1.033 330 S CA 0.765 59.048 58.200 0.137 0.000 1.011 330 S CB -0.392 62.899 63.200 0.152 0.000 0.852 330 S HN 0.348 nan 8.310 nan 0.000 0.457 331 Y N 2.322 122.685 120.300 0.105 0.000 2.089 331 Y HA -0.222 4.328 4.550 -0.001 0.000 0.282 331 Y C 2.436 178.394 175.900 0.097 0.000 1.139 331 Y CA 1.824 59.990 58.100 0.110 0.000 1.123 331 Y CB -0.694 37.824 38.460 0.095 0.000 0.980 331 Y HN 0.251 nan 8.280 nan 0.000 0.493 332 Q N -0.154 119.696 119.800 0.083 0.000 2.045 332 Q HA -0.222 4.117 4.340 -0.000 0.000 0.206 332 Q C 2.463 178.421 176.000 -0.069 0.000 0.991 332 Q CA 2.546 58.330 55.803 -0.032 0.000 0.851 332 Q CB -0.417 28.352 28.738 0.053 0.000 0.911 332 Q HN 0.647 nan 8.270 nan 0.000 0.418 333 S N 0.656 116.350 115.700 -0.010 0.000 2.382 333 S HA -0.208 4.262 4.470 -0.000 0.000 0.228 333 S C 1.885 176.482 174.600 -0.005 0.000 1.027 333 S CA 1.127 59.327 58.200 -0.000 0.000 0.991 333 S CB -0.321 62.894 63.200 0.024 0.000 0.823 333 S HN 0.341 nan 8.310 nan 0.000 0.469 334 Q N 0.943 120.731 119.800 -0.020 0.000 2.079 334 Q HA -0.035 4.305 4.340 -0.000 0.000 0.200 334 Q C 2.623 178.604 176.000 -0.033 0.000 0.974 334 Q CA 1.617 57.410 55.803 -0.017 0.000 0.840 334 Q CB -0.642 28.097 28.738 0.002 0.000 0.898 334 Q HN 0.724 nan 8.270 nan 0.000 0.430 335 V N -2.585 117.275 119.914 -0.091 0.000 2.358 335 V HA -0.141 3.979 4.120 -0.000 0.000 0.246 335 V C 2.132 178.397 176.094 0.286 0.000 1.047 335 V CA 1.283 63.653 62.300 0.117 0.000 1.035 335 V CB -0.895 30.919 31.823 -0.014 0.000 0.658 335 V HN 0.092 nan 8.190 nan 0.000 0.452 336 V N 0.821 120.815 119.914 0.133 0.000 2.427 336 V HA -0.201 3.918 4.120 -0.000 0.000 0.248 336 V C 2.934 179.108 176.094 0.132 0.000 1.051 336 V CA 2.333 64.720 62.300 0.145 0.000 1.048 336 V CB -0.609 31.218 31.823 0.006 0.000 0.666 336 V HN 0.705 nan 8.190 nan 0.000 0.456 337 S N -0.015 115.735 115.700 0.083 0.000 2.355 337 S HA -0.231 4.239 4.470 -0.000 0.000 0.222 337 S C 2.245 176.890 174.600 0.074 0.000 1.031 337 S CA 1.774 60.016 58.200 0.069 0.000 0.993 337 S CB -0.269 62.960 63.200 0.048 0.000 0.859 337 S HN 0.553 nan 8.310 nan 0.000 0.453 338 R N 0.130 120.650 120.500 0.032 0.000 2.092 338 R HA -0.005 4.334 4.340 -0.000 0.000 0.231 338 R C 2.336 178.622 176.300 -0.024 0.000 1.119 338 R CA 1.390 57.443 56.100 -0.079 0.000 0.970 338 R CB -0.992 29.075 30.300 -0.387 0.000 0.864 338 R HN 0.508 nan 8.270 nan 0.000 0.440 339 G N -0.969 107.969 108.800 0.230 0.000 2.535 339 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.218 339 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.218 339 G C 1.013 176.006 174.900 0.156 0.000 1.122 339 G CA 0.764 46.066 45.100 0.337 0.000 0.769 339 G HN 0.323 nan 8.290 nan 0.000 0.549 340 S N -0.183 115.592 115.700 0.125 0.000 2.524 340 S HA 0.140 4.609 4.470 -0.000 0.000 0.215 340 S C 0.709 175.371 174.600 0.102 0.000 0.986 340 S CA -0.533 57.728 58.200 0.102 0.000 0.911 340 S CB 0.315 63.571 63.200 0.094 0.000 0.805 340 S HN 0.372 nan 8.310 nan 0.000 0.501 341 D N 2.211 122.679 120.400 0.112 0.000 2.369 341 D HA 0.031 4.670 4.640 -0.000 0.000 0.241 341 D C -0.163 176.238 176.300 0.168 0.000 1.271 341 D CA 0.311 54.415 54.000 0.173 0.000 0.942 341 D CB 0.428 41.406 40.800 0.295 0.000 1.129 341 D HN 0.126 nan 8.370 nan 0.000 0.476 342 D N -1.689 118.845 120.400 0.223 0.000 2.389 342 D HA 0.307 4.947 4.640 -0.000 0.000 0.247 342 D C 0.666 177.098 176.300 0.221 0.000 1.128 342 D CA 0.423 54.557 54.000 0.223 0.000 0.884 342 D CB 0.444 41.439 40.800 0.327 0.000 1.194 342 D HN 0.510 nan 8.370 nan 0.000 0.441 343 G N 3.148 112.062 108.800 0.189 0.000 2.273 343 G HA2 -0.247 3.712 3.960 -0.000 0.000 0.280 343 G HA3 -0.247 3.712 3.960 -0.000 0.000 0.280 343 G C 0.095 175.079 174.900 0.139 0.000 1.047 343 G CA 0.462 45.680 45.100 0.197 0.000 0.869 343 G HN 0.604 nan 8.290 nan 0.000 0.502 344 I N -0.126 120.458 120.570 0.023 0.000 2.569 344 I HA 0.409 4.578 4.170 -0.000 0.000 0.290 344 I C -1.101 174.992 176.117 -0.040 0.000 1.088 344 I CA -1.066 60.167 61.300 -0.113 0.000 1.047 344 I CB 1.604 39.359 38.000 -0.408 0.000 1.237 344 I HN 0.113 nan 8.210 nan 0.000 0.421 345 D N 6.690 127.063 120.400 -0.045 0.000 2.163 345 D HA 0.420 5.060 4.640 -0.000 0.000 0.248 345 D C -1.612 174.597 176.300 -0.152 0.000 1.035 345 D CA -0.154 53.803 54.000 -0.070 0.000 0.872 345 D CB 2.475 43.238 40.800 -0.062 0.000 1.183 345 D HN 0.332 nan 8.370 nan 0.000 0.445 346 V N 2.531 122.275 119.914 -0.283 0.000 2.789 346 V HA 0.509 4.629 4.120 -0.000 0.000 0.311 346 V C -1.006 174.701 176.094 -0.645 0.000 1.073 346 V CA -0.259 61.642 62.300 -0.664 0.000 0.921 346 V CB 2.393 33.620 31.823 -0.995 0.000 1.009 346 V HN 0.668 nan 8.190 nan 0.000 0.426 347 T N 6.993 121.102 114.554 -0.740 0.000 2.812 347 T HA 0.658 5.007 4.350 -0.000 0.000 0.282 347 T C -1.088 173.271 174.700 -0.569 0.000 0.990 347 T CA 0.022 61.829 62.100 -0.488 0.000 0.960 347 T CB 0.817 69.510 68.868 -0.291 0.000 0.948 347 T HN 0.410 nan 8.240 nan 0.000 0.438 348 F N 1.850 121.694 119.950 -0.176 0.000 2.507 348 F HA 0.613 5.140 4.527 -0.000 0.000 0.327 348 F C 1.172 176.911 175.800 -0.101 0.000 1.068 348 F CA -0.937 56.978 58.000 -0.141 0.000 0.965 348 F CB 1.564 40.496 39.000 -0.113 0.000 1.192 348 F HN 0.565 nan 8.300 nan 0.000 0.476 349 S N 0.554 116.345 115.700 0.150 0.000 2.686 349 S HA 0.366 4.836 4.470 -0.000 0.000 0.270 349 S C -0.538 174.090 174.600 0.046 0.000 1.194 349 S CA -0.911 57.319 58.200 0.050 0.000 0.990 349 S CB 1.131 64.340 63.200 0.014 0.000 1.029 349 S HN 0.691 nan 8.310 nan 0.000 0.560 350 Q N 0.276 120.081 119.800 0.010 0.000 2.296 350 Q HA 0.588 4.928 4.340 -0.000 0.000 0.257 350 Q C -0.957 175.035 176.000 -0.013 0.000 0.942 350 Q CA -0.585 55.215 55.803 -0.005 0.000 0.939 350 Q CB 0.822 29.554 28.738 -0.010 0.000 1.198 350 Q HN 0.919 nan 8.270 nan 0.000 0.429 351 A N 4.024 126.830 122.820 -0.024 0.000 2.604 351 A HA 0.581 4.900 4.320 -0.000 0.000 0.295 351 A C -1.629 175.937 177.584 -0.031 0.000 1.067 351 A CA -0.813 51.211 52.037 -0.022 0.000 0.683 351 A CB 1.817 20.809 19.000 -0.013 0.000 1.281 351 A HN 0.679 nan 8.150 nan 0.000 0.407 352 E N 0.992 121.181 120.200 -0.020 0.000 2.234 352 E HA 0.485 4.835 4.350 -0.000 0.000 0.266 352 E C -0.492 176.103 176.600 -0.009 0.000 0.877 352 E CA -0.527 55.862 56.400 -0.019 0.000 0.758 352 E CB 2.043 31.735 29.700 -0.014 0.000 1.170 352 E HN 0.608 nan 8.360 nan 0.000 0.415 353 S N 3.290 118.985 115.700 -0.008 0.000 2.550 353 S HA -0.003 4.467 4.470 -0.000 0.000 0.285 353 S C -1.170 173.435 174.600 0.008 0.000 1.326 353 S CA -0.531 57.671 58.200 0.003 0.000 1.037 353 S CB 0.103 63.306 63.200 0.004 0.000 0.838 353 S HN 0.456 nan 8.310 nan 0.000 0.519 354 P HA 0.126 nan 4.420 nan 0.000 0.247 354 P C -0.327 176.980 177.300 0.011 0.000 1.225 354 P CA 0.113 63.223 63.100 0.016 0.000 0.768 354 P CB -0.316 31.396 31.700 0.020 0.000 1.020 355 C N 0.864 120.169 119.300 0.009 0.000 2.459 355 C HA 0.439 4.898 4.460 -0.000 0.000 0.374 355 C C 0.921 175.913 174.990 0.004 0.000 1.241 355 C CA -0.503 58.515 59.018 0.000 0.000 2.352 355 C CB 1.338 29.079 27.740 0.002 0.000 2.490 355 C HN 0.204 nan 8.230 nan 0.000 0.583 356 V N 0.582 120.494 119.914 -0.004 0.000 2.919 356 V HA 0.948 5.068 4.120 -0.000 0.000 0.316 356 V C -0.007 176.112 176.094 0.042 0.000 1.077 356 V CA -0.653 61.675 62.300 0.048 0.000 0.977 356 V CB 1.377 33.250 31.823 0.083 0.000 1.039 356 V HN 1.097 nan 8.190 nan 0.000 0.441 357 A N 2.198 125.085 122.820 0.111 0.000 2.303 357 A HA 0.776 5.096 4.320 -0.000 0.000 0.317 357 A C 0.414 178.133 177.584 0.225 0.000 1.149 357 A CA -0.424 51.680 52.037 0.111 0.000 0.822 357 A CB 0.702 19.741 19.000 0.065 0.000 1.131 357 A HN 1.062 nan 8.150 nan 0.000 0.493 358 S N -0.113 115.661 115.700 0.124 0.000 2.592 358 S HA 0.608 5.077 4.470 -0.000 0.000 0.271 358 S C 0.213 174.898 174.600 0.142 0.000 1.326 358 S CA 0.236 58.495 58.200 0.098 0.000 1.024 358 S CB 1.144 64.323 63.200 -0.035 0.000 0.921 358 S HN 1.420 nan 8.310 nan 0.000 0.527 359 A N 1.446 124.303 122.820 0.062 0.000 2.515 359 A HA 0.751 5.071 4.320 -0.000 0.000 0.298 359 A C -1.643 175.747 177.584 -0.324 0.000 1.059 359 A CA -0.605 51.293 52.037 -0.231 0.000 0.698 359 A CB 1.197 20.005 19.000 -0.321 0.000 1.289 359 A HN 0.628 nan 8.150 nan 0.000 0.404 360 L N 1.973 122.885 121.223 -0.518 0.000 2.372 360 L HA 0.794 5.133 4.340 -0.000 0.000 0.273 360 L C -1.767 174.827 176.870 -0.461 0.000 0.989 360 L CA -0.358 54.291 54.840 -0.317 0.000 0.841 360 L CB 0.559 42.502 42.059 -0.192 0.000 1.225 360 L HN 0.551 nan 8.230 nan 0.000 0.414 361 F N 4.164 124.001 119.950 -0.188 0.000 2.397 361 F HA 0.744 5.271 4.527 -0.001 0.000 0.331 361 F C 0.160 175.849 175.800 -0.184 0.000 1.090 361 F CA -0.610 57.246 58.000 -0.239 0.000 1.065 361 F CB 1.834 40.651 39.000 -0.305 0.000 1.184 361 F HN 0.128 nan 8.300 nan 0.000 0.499 362 V N 1.226 121.135 119.914 -0.008 0.000 2.760 362 V HA 0.723 4.843 4.120 -0.000 0.000 0.309 362 V C -0.329 175.741 176.094 -0.040 0.000 1.077 362 V CA -0.449 61.831 62.300 -0.033 0.000 0.910 362 V CB 2.072 33.873 31.823 -0.035 0.000 1.008 362 V HN 0.913 nan 8.190 nan 0.000 0.424 363 T N 1.866 116.408 114.554 -0.020 0.000 2.711 363 T HA 0.574 4.923 4.350 -0.000 0.000 0.302 363 T C -0.726 174.029 174.700 0.092 0.000 1.373 363 T CA 0.194 62.322 62.100 0.046 0.000 1.000 363 T CB 1.972 70.880 68.868 0.066 0.000 1.483 363 T HN 1.031 nan 8.240 nan 0.000 0.499 364 S N 0.343 116.142 115.700 0.164 0.000 2.690 364 S HA 0.470 4.940 4.470 -0.000 0.000 0.291 364 S C 1.565 176.311 174.600 0.244 0.000 1.138 364 S CA 0.196 58.490 58.200 0.157 0.000 1.013 364 S CB 1.321 64.605 63.200 0.140 0.000 1.053 364 S HN 1.037 nan 8.310 nan 0.000 0.539 365 S N -0.082 115.742 115.700 0.207 0.000 2.419 365 S HA -0.164 4.305 4.470 -0.000 0.000 0.233 365 S C 1.515 176.301 174.600 0.310 0.000 1.016 365 S CA 1.074 59.443 58.200 0.282 0.000 0.974 365 S CB -0.748 62.568 63.200 0.193 0.000 0.786 365 S HN 0.853 nan 8.310 nan 0.000 0.492 366 E N 2.009 122.342 120.200 0.222 0.000 2.051 366 E HA -0.194 4.156 4.350 -0.000 0.000 0.192 366 E C 1.755 178.479 176.600 0.207 0.000 0.991 366 E CA 1.488 57.995 56.400 0.178 0.000 0.799 366 E CB -0.319 29.460 29.700 0.132 0.000 0.748 366 E HN 0.764 nan 8.360 nan 0.000 0.449 367 N N -0.036 118.835 118.700 0.287 0.000 2.331 367 N HA -0.121 4.619 4.740 -0.000 0.000 0.180 367 N C 1.475 177.197 175.510 0.354 0.000 1.019 367 N CA 0.628 53.888 53.050 0.351 0.000 0.881 367 N CB -0.187 38.578 38.487 0.464 0.000 0.972 367 N HN 0.386 nan 8.380 nan 0.000 0.435 368 W N 2.709 124.187 121.300 0.296 0.000 2.358 368 W HA -0.096 4.564 4.660 -0.001 0.000 0.303 368 W C 1.425 177.999 176.519 0.093 0.000 1.208 368 W CA 1.174 58.693 57.345 0.291 0.000 1.274 368 W CB -0.188 29.474 29.460 0.336 0.000 1.138 368 W HN 0.026 nan 8.180 nan 0.000 0.515 369 R N 0.422 120.996 120.500 0.123 0.000 2.096 369 R HA -0.136 4.204 4.340 -0.000 0.000 0.235 369 R C 2.235 178.404 176.300 -0.217 0.000 1.127 369 R CA 1.624 57.691 56.100 -0.055 0.000 0.968 369 R CB -0.349 29.995 30.300 0.072 0.000 0.861 369 R HN 0.153 nan 8.270 nan 0.000 0.440 370 K N -0.325 119.947 120.400 -0.213 0.000 2.432 370 K HA -0.043 4.277 4.320 -0.000 0.000 0.196 370 K C -0.161 175.949 176.600 -0.817 0.000 1.038 370 K CA 0.734 56.770 56.287 -0.418 0.000 0.986 370 K CB 0.182 32.462 32.500 -0.366 0.000 0.782 370 K HN 0.293 nan 8.250 nan 0.000 0.485 371 H N -0.080 118.523 119.070 -0.778 0.000 2.423 371 H HA 0.115 4.671 4.556 -0.001 0.000 0.237 371 H C -1.977 172.793 175.328 -0.931 0.000 1.391 371 H CA -1.890 53.510 56.048 -1.080 0.000 1.453 371 H CB 0.858 29.240 29.762 -2.300 0.000 1.484 371 H HN -0.026 nan 8.280 nan 0.000 0.505 372 P HA -0.193 nan 4.420 nan 0.000 0.221 372 P C 1.318 178.427 177.300 -0.318 0.000 1.145 372 P CA 1.106 63.934 63.100 -0.453 0.000 0.795 372 P CB 0.358 31.882 31.700 -0.294 0.000 0.775 373 A N -1.039 121.627 122.820 -0.256 0.000 2.121 373 A HA -0.109 4.211 4.320 -0.000 0.000 0.218 373 A C 1.731 179.364 177.584 0.082 0.000 1.154 373 A CA 0.641 52.634 52.037 -0.074 0.000 0.679 373 A CB -1.506 17.477 19.000 -0.028 0.000 0.795 373 A HN 0.170 nan 8.150 nan 0.000 0.458 374 W N 0.154 121.354 121.300 -0.166 0.000 2.825 374 W HA 0.097 4.757 4.660 -0.001 0.000 0.243 374 W C 1.793 178.310 176.519 -0.003 0.000 1.293 374 W CA 0.458 57.738 57.345 -0.109 0.000 1.403 374 W CB -0.564 28.850 29.460 -0.077 0.000 1.134 374 W HN 0.650 nan 8.180 nan 0.000 0.666 375 E N 0.535 120.788 120.200 0.087 0.000 2.442 375 E HA -0.052 4.298 4.350 -0.000 0.000 0.195 375 E C 0.046 176.771 176.600 0.209 0.000 1.030 375 E CA 0.237 56.782 56.400 0.241 0.000 0.869 375 E CB 0.207 29.977 29.700 0.117 0.000 0.857 375 E HN 0.169 nan 8.360 nan 0.000 0.505 376 E N 1.844 122.130 120.200 0.143 0.000 2.338 376 E HA 0.010 4.360 4.350 -0.000 0.000 0.272 376 E C -0.330 176.355 176.600 0.142 0.000 1.029 376 E CA -0.194 56.279 56.400 0.122 0.000 0.872 376 E CB 0.989 30.743 29.700 0.089 0.000 1.015 376 E HN 0.200 nan 8.360 nan 0.000 0.417 377 E N 3.543 123.831 120.200 0.147 0.000 2.392 377 E HA 0.018 4.368 4.350 -0.000 0.000 0.264 377 E C -0.768 175.944 176.600 0.186 0.000 1.024 377 E CA -0.007 56.500 56.400 0.178 0.000 0.903 377 E CB 0.537 30.356 29.700 0.199 0.000 0.963 377 E HN 0.433 nan 8.360 nan 0.000 0.432 378 I N 5.628 126.321 120.570 0.206 0.000 2.437 378 I HA 0.129 4.299 4.170 -0.000 0.000 0.279 378 I C -0.558 175.765 176.117 0.343 0.000 1.028 378 I CA -0.861 60.579 61.300 0.233 0.000 1.142 378 I CB 0.611 38.699 38.000 0.148 0.000 1.266 378 I HN 0.561 nan 8.210 nan 0.000 0.461 379 F N 6.441 126.517 119.950 0.209 0.000 2.518 379 F HA 0.482 5.009 4.527 -0.001 0.000 0.375 379 F C 0.850 176.778 175.800 0.213 0.000 1.097 379 F CA 0.692 58.804 58.000 0.187 0.000 1.108 379 F CB -0.118 38.963 39.000 0.135 0.000 1.078 379 F HN 0.531 nan 8.300 nan 0.000 0.564 380 G N 5.851 114.491 108.800 -0.267 0.000 2.341 380 G HA2 0.127 4.087 3.960 -0.000 0.000 0.293 380 G HA3 0.127 4.087 3.960 -0.000 0.000 0.293 380 G C -3.131 171.597 174.900 -0.287 0.000 1.298 380 G CA -0.919 43.901 45.100 -0.465 0.000 0.868 380 G HN 0.217 nan 8.290 nan 0.000 0.540 381 P HA 0.202 nan 4.420 nan 0.000 0.232 381 P C -0.549 176.772 177.300 0.035 0.000 1.738 381 P CA 0.510 63.504 63.100 -0.176 0.000 0.948 381 P CB 0.247 31.814 31.700 -0.223 0.000 1.943 382 Q N -0.483 119.410 119.800 0.155 0.000 2.421 382 Q HA 0.756 5.096 4.340 -0.000 0.000 0.280 382 Q C -1.443 174.658 176.000 0.168 0.000 1.085 382 Q CA -1.160 54.776 55.803 0.222 0.000 0.807 382 Q CB 1.678 30.680 28.738 0.441 0.000 1.405 382 Q HN -0.063 nan 8.270 nan 0.000 0.419 383 S N 1.091 116.900 115.700 0.182 0.000 2.625 383 S HA 0.810 5.280 4.470 -0.000 0.000 0.271 383 S C -2.151 172.601 174.600 0.252 0.000 1.161 383 S CA -0.670 57.652 58.200 0.204 0.000 0.820 383 S CB 1.115 64.444 63.200 0.215 0.000 1.137 383 S HN 0.839 nan 8.310 nan 0.000 0.470 384 L N 2.707 124.024 121.223 0.156 0.000 2.386 384 L HA 0.754 5.094 4.340 -0.000 0.000 0.271 384 L C -1.633 175.185 176.870 -0.087 0.000 0.993 384 L CA -0.343 54.527 54.840 0.050 0.000 0.819 384 L CB 1.502 43.526 42.059 -0.059 0.000 1.294 384 L HN 0.719 nan 8.230 nan 0.000 0.414 385 I N 5.203 125.716 120.570 -0.095 0.000 2.378 385 I HA 0.444 4.614 4.170 -0.000 0.000 0.291 385 I C -0.886 175.095 176.117 -0.228 0.000 0.992 385 I CA -0.858 60.324 61.300 -0.197 0.000 1.154 385 I CB 1.925 39.879 38.000 -0.078 0.000 1.315 385 I HN 0.279 nan 8.210 nan 0.000 0.448 386 V N 7.377 127.062 119.914 -0.382 0.000 2.334 386 V HA 0.254 4.373 4.120 -0.000 0.000 0.281 386 V C 0.087 176.094 176.094 -0.146 0.000 1.016 386 V CA -0.727 61.415 62.300 -0.264 0.000 0.832 386 V CB 1.619 33.159 31.823 -0.471 0.000 0.999 386 V HN 0.376 nan 8.190 nan 0.000 0.439 387 V N 4.705 124.587 119.914 -0.053 0.000 2.427 387 V HA 0.197 4.316 4.120 -0.000 0.000 0.268 387 V C 0.376 176.478 176.094 0.013 0.000 1.046 387 V CA -0.213 62.068 62.300 -0.031 0.000 0.970 387 V CB 0.684 32.500 31.823 -0.012 0.000 1.001 387 V HN 0.968 nan 8.190 nan 0.000 0.476 388 C N 3.930 123.231 119.300 0.002 0.000 2.364 388 C HA 0.314 4.774 4.460 -0.000 0.000 0.356 388 C C 1.880 176.878 174.990 0.012 0.000 1.201 388 C CA -0.581 58.451 59.018 0.025 0.000 2.227 388 C CB 1.019 28.769 27.740 0.018 0.000 2.387 388 C HN 0.989 nan 8.230 nan 0.000 0.546 389 E N 1.281 121.497 120.200 0.027 0.000 2.051 389 E HA -0.127 4.223 4.350 -0.000 0.000 0.192 389 E C 0.368 176.974 176.600 0.010 0.000 0.991 389 E CA 1.712 58.125 56.400 0.022 0.000 0.799 389 E CB 0.070 29.788 29.700 0.031 0.000 0.748 389 E HN 0.869 nan 8.360 nan 0.000 0.449 390 N N -3.337 115.366 118.700 0.005 0.000 3.308 390 N HA 0.067 4.806 4.740 -0.000 0.000 0.276 390 N C 0.105 175.609 175.510 -0.011 0.000 1.533 390 N CA -0.492 52.558 53.050 0.000 0.000 0.878 390 N CB 0.733 39.228 38.487 0.014 0.000 1.566 390 N HN -0.201 nan 8.380 nan 0.000 0.546 391 V N -0.234 119.680 119.914 0.000 0.000 2.407 391 V HA -0.158 3.962 4.120 -0.000 0.000 0.248 391 V C 2.425 178.525 176.094 0.009 0.000 1.055 391 V CA 2.528 64.830 62.300 0.003 0.000 1.049 391 V CB -1.450 30.428 31.823 0.091 0.000 0.662 391 V HN 0.844 nan 8.190 nan 0.000 0.455 392 A N 0.167 122.998 122.820 0.018 0.000 1.940 392 A HA -0.315 4.004 4.320 -0.000 0.000 0.219 392 A C 2.080 179.668 177.584 0.007 0.000 1.176 392 A CA 2.218 54.263 52.037 0.013 0.000 0.631 392 A CB -0.684 18.326 19.000 0.017 0.000 0.814 392 A HN 0.586 nan 8.150 nan 0.000 0.446 393 D N -0.823 119.583 120.400 0.010 0.000 2.117 393 D HA -0.184 4.456 4.640 -0.000 0.000 0.197 393 D C 1.928 178.228 176.300 0.000 0.000 0.987 393 D CA 1.700 55.711 54.000 0.017 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 -0.483 119.107 119.600 -0.017 0.000 2.086 394 M HA -0.142 4.338 4.480 -0.000 0.000 0.261 394 M C 1.763 178.034 176.300 -0.047 0.000 1.067 394 M CA 1.103 56.387 55.300 -0.027 0.000 1.116 394 M CB -0.000 32.580 32.600 -0.034 0.000 1.348 394 M HN 0.062 nan 8.290 nan 0.000 0.407 395 L N -0.591 120.600 121.223 -0.054 0.000 2.093 395 L HA -0.162 4.178 4.340 -0.000 0.000 0.208 395 L C 2.633 179.468 176.870 -0.057 0.000 1.085 395 L CA 1.707 56.498 54.840 -0.081 0.000 0.755 395 L CB -1.564 40.467 42.059 -0.046 0.000 0.904 395 L HN 0.441 nan 8.230 nan 0.000 0.435 396 S N -0.097 115.588 115.700 -0.025 0.000 2.356 396 S HA -0.152 4.317 4.470 -0.000 0.000 0.223 396 S C 2.100 176.704 174.600 0.007 0.000 1.032 396 S CA 1.069 59.269 58.200 -0.001 0.000 1.005 396 S CB -0.031 63.179 63.200 0.018 0.000 0.867 396 S HN 0.351 nan 8.310 nan 0.000 0.449 397 L N 1.667 122.883 121.223 -0.012 0.000 2.083 397 L HA -0.097 4.243 4.340 -0.000 0.000 0.209 397 L C 2.843 179.694 176.870 -0.030 0.000 1.083 397 L CA 1.545 56.377 54.840 -0.014 0.000 0.752 397 L CB -0.812 41.123 42.059 -0.206 0.000 0.899 397 L HN 0.513 nan 8.230 nan 0.000 0.433 398 S N -1.000 114.660 115.700 -0.066 0.000 2.419 398 S HA -0.159 4.310 4.470 -0.000 0.000 0.233 398 S C 1.713 176.318 174.600 0.010 0.000 1.016 398 S CA 0.783 58.972 58.200 -0.019 0.000 0.974 398 S CB -0.291 62.795 63.200 -0.190 0.000 0.786 398 S HN 0.395 nan 8.310 nan 0.000 0.492 399 E N 1.318 121.519 120.200 0.002 0.000 2.204 399 E HA 0.012 4.362 4.350 -0.000 0.000 0.195 399 E C 1.577 178.205 176.600 0.046 0.000 0.990 399 E CA 1.013 57.423 56.400 0.015 0.000 0.821 399 E CB -0.271 29.434 29.700 0.008 0.000 0.750 399 E HN 0.721 nan 8.360 nan 0.000 0.477 400 M N 0.279 119.926 119.600 0.079 0.000 2.371 400 M HA 0.173 4.653 4.480 -0.000 0.000 0.246 400 M C 0.397 176.783 176.300 0.144 0.000 1.103 400 M CA -0.143 55.216 55.300 0.099 0.000 1.010 400 M CB 0.492 33.154 32.600 0.103 0.000 1.457 400 M HN -0.135 nan 8.290 nan 0.000 0.486 401 L N 1.357 122.681 121.223 0.169 0.000 2.485 401 L HA 0.179 4.519 4.340 -0.000 0.000 0.275 401 L C 0.890 177.862 176.870 0.171 0.000 1.207 401 L CA -0.590 54.383 54.840 0.223 0.000 0.855 401 L CB 0.286 42.482 42.059 0.229 0.000 1.114 401 L HN 0.200 nan 8.230 nan 0.000 0.485 402 A N 2.613 125.544 122.820 0.184 0.000 2.280 402 A HA 0.547 4.866 4.320 -0.000 0.000 0.268 402 A C 0.600 178.261 177.584 0.127 0.000 1.111 402 A CA 0.063 52.182 52.037 0.137 0.000 0.814 402 A CB 0.133 19.210 19.000 0.127 0.000 1.093 402 A HN 0.787 nan 8.150 nan 0.000 0.498 403 G N -0.526 108.334 108.800 0.100 0.000 2.491 403 G HA2 0.441 4.401 3.960 -0.000 0.000 0.238 403 G HA3 0.441 4.401 3.960 -0.000 0.000 0.238 403 G C 0.074 175.018 174.900 0.073 0.000 1.277 403 G CA 0.804 45.952 45.100 0.080 0.000 0.851 403 G HN 1.129 nan 8.290 nan 0.000 0.573 404 S N 0.738 116.484 115.700 0.076 0.000 2.579 404 S HA 0.371 4.840 4.470 -0.000 0.000 0.272 404 S C 1.174 175.807 174.600 0.056 0.000 1.141 404 S CA -0.845 57.404 58.200 0.082 0.000 0.843 404 S CB 1.313 64.591 63.200 0.131 0.000 1.122 404 S HN 0.417 nan 8.310 nan 0.000 0.468 405 L N 1.745 122.992 121.223 0.041 0.000 2.056 405 L HA 0.100 4.439 4.340 -0.000 0.000 0.207 405 L C 1.321 178.222 176.870 0.051 0.000 1.078 405 L CA 1.414 56.249 54.840 -0.008 0.000 0.749 405 L CB -0.419 41.605 42.059 -0.058 0.000 0.901 405 L HN 0.879 nan 8.230 nan 0.000 0.433 406 T N -3.424 111.191 114.554 0.102 0.000 2.865 406 T HA 0.784 5.134 4.350 -0.000 0.000 0.294 406 T C -0.920 173.870 174.700 0.151 0.000 1.119 406 T CA -0.458 61.718 62.100 0.127 0.000 1.007 406 T CB 2.607 71.567 68.868 0.152 0.000 1.225 406 T HN 0.054 nan 8.240 nan 0.000 0.515 407 A N 0.949 123.861 122.820 0.153 0.000 2.459 407 A HA 0.731 5.051 4.320 -0.000 0.000 0.296 407 A C -0.396 177.290 177.584 0.169 0.000 1.039 407 A CA -0.776 51.380 52.037 0.199 0.000 0.698 407 A CB 1.572 20.687 19.000 0.192 0.000 1.261 407 A HN 0.918 nan 8.150 nan 0.000 0.405 408 T N 2.197 116.867 114.554 0.193 0.000 2.887 408 T HA 0.714 5.063 4.350 -0.000 0.000 0.288 408 T C -0.520 174.248 174.700 0.112 0.000 1.021 408 T CA -0.188 61.956 62.100 0.073 0.000 1.000 408 T CB 1.012 69.870 68.868 -0.017 0.000 1.034 408 T HN 0.480 nan 8.240 nan 0.000 0.467 409 I N 2.426 122.958 120.570 -0.064 0.000 2.499 409 I HA 0.332 4.502 4.170 -0.000 0.000 0.288 409 I C -0.638 175.200 176.117 -0.464 0.000 1.048 409 I CA -0.850 60.434 61.300 -0.026 0.000 1.062 409 I CB 1.784 39.871 38.000 0.145 0.000 1.238 409 I HN 0.509 nan 8.210 nan 0.000 0.426 410 H N 5.243 124.200 119.070 -0.187 0.000 2.587 410 H HA 0.803 5.359 4.556 -0.000 0.000 0.325 410 H C -0.677 174.572 175.328 -0.133 0.000 1.012 410 H CA -0.362 55.498 56.048 -0.313 0.000 1.213 410 H CB 1.971 31.583 29.762 -0.251 0.000 1.431 410 H HN 0.797 nan 8.280 nan 0.000 0.492 411 A N 2.466 125.156 122.820 -0.217 0.000 2.564 411 A HA 0.621 4.941 4.320 -0.000 0.000 0.291 411 A C -0.353 177.242 177.584 0.019 0.000 1.102 411 A CA -0.493 51.516 52.037 -0.048 0.000 0.660 411 A CB 1.500 20.422 19.000 -0.130 0.000 1.283 411 A HN 0.587 nan 8.150 nan 0.000 0.430 412 T N -2.753 111.825 114.554 0.041 0.000 2.888 412 T HA 0.570 4.920 4.350 -0.000 0.000 0.288 412 T C 0.744 175.277 174.700 -0.279 0.000 1.063 412 T CA 0.234 62.328 62.100 -0.009 0.000 1.010 412 T CB 1.482 70.320 68.868 -0.049 0.000 1.214 412 T HN 0.652 nan 8.240 nan 0.000 0.533 413 E N 0.059 119.879 120.200 -0.633 0.000 2.187 413 E HA -0.252 4.098 4.350 -0.000 0.000 0.199 413 E C 1.832 178.043 176.600 -0.650 0.000 1.004 413 E CA 1.610 57.269 56.400 -1.235 0.000 0.813 413 E CB -0.040 29.238 29.700 -0.702 0.000 0.736 413 E HN 0.811 nan 8.360 nan 0.000 0.468 414 E N 0.123 120.132 120.200 -0.318 0.000 2.209 414 E HA -0.215 4.135 4.350 -0.000 0.000 0.196 414 E C 0.908 177.431 176.600 -0.127 0.000 0.993 414 E CA 1.369 57.669 56.400 -0.166 0.000 0.819 414 E CB 0.125 29.771 29.700 -0.090 0.000 0.745 414 E HN 0.300 nan 8.360 nan 0.000 0.477 415 D N -0.650 119.655 120.400 -0.158 0.000 2.354 415 D HA -0.079 4.561 4.640 -0.000 0.000 0.209 415 D C 1.271 177.518 176.300 -0.089 0.000 1.015 415 D CA 0.088 53.957 54.000 -0.219 0.000 0.867 415 D CB -0.099 40.330 40.800 -0.617 0.000 0.933 415 D HN 0.262 nan 8.370 nan 0.000 0.520 416 Y N 1.032 121.225 120.300 -0.178 0.000 2.173 416 Y HA -0.159 4.391 4.550 -0.001 0.000 0.282 416 Y C -0.382 175.441 175.900 -0.129 0.000 1.192 416 Y CA 0.565 58.578 58.100 -0.145 0.000 1.176 416 Y CB -2.041 36.357 38.460 -0.104 0.000 0.969 416 Y HN 0.174 nan 8.280 nan 0.000 0.519 417 P HA -0.145 nan 4.420 nan 0.000 0.215 417 P C 1.420 178.719 177.300 -0.001 0.000 1.153 417 P CA 1.886 64.997 63.100 0.019 0.000 0.853 417 P CB 0.043 31.752 31.700 0.016 0.000 0.788 418 Q N -1.109 118.686 119.800 -0.008 0.000 2.137 418 Q HA -0.036 4.304 4.340 -0.000 0.000 0.198 418 Q C 2.112 178.113 176.000 0.001 0.000 0.960 418 Q CA 0.913 56.737 55.803 0.035 0.000 0.847 418 Q CB -1.363 27.478 28.738 0.171 0.000 0.915 418 Q HN 0.057 nan 8.270 nan 0.000 0.448 419 V N 0.950 120.795 119.914 -0.114 0.000 2.407 419 V HA -0.259 3.861 4.120 -0.000 0.000 0.248 419 V C 2.224 178.255 176.094 -0.105 0.000 1.055 419 V CA 1.898 64.132 62.300 -0.110 0.000 1.049 419 V CB -0.947 30.788 31.823 -0.147 0.000 0.662 419 V HN 0.534 nan 8.190 nan 0.000 0.455 420 S N -0.268 115.368 115.700 -0.107 0.000 2.442 420 S HA -0.307 4.162 4.470 -0.000 0.000 0.236 420 S C 1.926 176.478 174.600 -0.080 0.000 1.007 420 S CA 1.839 59.973 58.200 -0.111 0.000 0.965 420 S CB -0.361 62.786 63.200 -0.089 0.000 0.773 420 S HN 0.723 nan 8.310 nan 0.000 0.504 421 Q N -0.283 119.483 119.800 -0.057 0.000 2.302 421 Q HA 0.171 4.511 4.340 -0.000 0.000 0.202 421 Q C 2.012 177.970 176.000 -0.070 0.000 0.936 421 Q CA 0.525 56.298 55.803 -0.049 0.000 0.886 421 Q CB -0.099 28.624 28.738 -0.025 0.000 0.986 421 Q HN 0.544 nan 8.270 nan 0.000 0.487 422 L N 0.495 121.667 121.223 -0.085 0.000 2.095 422 L HA -0.014 4.326 4.340 -0.000 0.000 0.204 422 L C 1.866 178.645 176.870 -0.153 0.000 1.080 422 L CA 1.341 56.089 54.840 -0.154 0.000 0.759 422 L CB -0.285 41.663 42.059 -0.184 0.000 0.914 422 L HN 0.270 nan 8.230 nan 0.000 0.439 423 I N 0.284 120.785 120.570 -0.116 0.000 2.151 423 I HA -0.262 3.907 4.170 -0.000 0.000 0.243 423 I C -0.343 175.726 176.117 -0.079 0.000 1.080 423 I CA 1.548 62.790 61.300 -0.098 0.000 1.339 423 I CB -1.541 36.393 38.000 -0.110 0.000 1.039 423 I HN 0.258 nan 8.210 nan 0.000 0.409 424 P HA -0.143 nan 4.420 nan 0.000 0.218 424 P C 1.359 178.630 177.300 -0.049 0.000 1.148 424 P CA 1.486 64.553 63.100 -0.055 0.000 0.822 424 P CB -0.003 31.666 31.700 -0.052 0.000 0.784 425 R N -1.064 119.397 120.500 -0.065 0.000 2.093 425 R HA 0.091 4.431 4.340 -0.000 0.000 0.224 425 R C 2.258 178.532 176.300 -0.042 0.000 1.101 425 R CA 0.835 56.902 56.100 -0.056 0.000 0.979 425 R CB -0.884 29.367 30.300 -0.082 0.000 0.877 425 R HN 0.194 nan 8.270 nan 0.000 0.441 426 L N 0.534 121.719 121.223 -0.063 0.000 2.217 426 L HA -0.089 4.251 4.340 -0.000 0.000 0.211 426 L C 1.931 178.805 176.870 0.008 0.000 1.107 426 L CA 1.152 55.981 54.840 -0.018 0.000 0.783 426 L CB -0.349 41.691 42.059 -0.033 0.000 0.919 426 L HN 0.246 nan 8.230 nan 0.000 0.442 427 E N 0.439 120.633 120.200 -0.010 0.000 2.160 427 E HA -0.236 4.114 4.350 -0.000 0.000 0.195 427 E C 1.849 178.454 176.600 0.008 0.000 0.991 427 E CA 1.176 57.575 56.400 -0.002 0.000 0.810 427 E CB 0.030 29.720 29.700 -0.016 0.000 0.742 427 E HN 0.541 nan 8.360 nan 0.000 0.466 428 E N -0.097 120.107 120.200 0.006 0.000 2.358 428 E HA -0.111 4.239 4.350 -0.000 0.000 0.195 428 E C 1.610 178.229 176.600 0.031 0.000 1.010 428 E CA 0.679 57.087 56.400 0.014 0.000 0.856 428 E CB 0.144 29.848 29.700 0.008 0.000 0.795 428 E HN 0.379 nan 8.360 nan 0.000 0.504 429 I N -4.060 116.536 120.570 0.043 0.000 4.227 429 I HA 0.352 4.521 4.170 -0.000 0.000 0.334 429 I C 0.432 176.592 176.117 0.073 0.000 1.341 429 I CA -0.513 60.826 61.300 0.065 0.000 1.123 429 I CB 1.017 39.070 38.000 0.088 0.000 1.097 429 I HN -0.182 nan 8.210 nan 0.000 0.399 430 A N 0.658 123.517 122.820 0.065 0.000 2.413 430 A HA 0.789 5.108 4.320 -0.000 0.000 0.307 430 A C 0.937 178.552 177.584 0.051 0.000 1.087 430 A CA -0.149 51.929 52.037 0.068 0.000 0.750 430 A CB 1.092 20.146 19.000 0.091 0.000 1.296 430 A HN 0.180 nan 8.150 nan 0.000 0.423 431 G N -0.363 108.465 108.800 0.047 0.000 2.494 431 G HA2 0.263 4.223 3.960 -0.000 0.000 0.216 431 G HA3 0.263 4.223 3.960 -0.000 0.000 0.216 431 G C 0.693 175.627 174.900 0.058 0.000 1.140 431 G CA 0.581 45.707 45.100 0.043 0.000 0.801 431 G HN 0.785 nan 8.290 nan 0.000 0.536 432 R N -0.313 120.229 120.500 0.070 0.000 2.533 432 R HA 0.523 4.863 4.340 -0.000 0.000 0.288 432 R C -1.442 174.906 176.300 0.082 0.000 1.039 432 R CA -0.649 55.499 56.100 0.081 0.000 0.909 432 R CB 1.077 31.442 30.300 0.108 0.000 1.195 432 R HN 0.004 nan 8.270 nan 0.000 0.438 433 L N 4.722 125.985 121.223 0.066 0.000 2.295 433 L HA 0.563 4.903 4.340 -0.000 0.000 0.285 433 L C -0.583 176.327 176.870 0.066 0.000 1.035 433 L CA -1.181 53.698 54.840 0.065 0.000 0.806 433 L CB 1.847 43.931 42.059 0.041 0.000 1.214 433 L HN 0.333 nan 8.230 nan 0.000 0.426 434 V N 3.290 123.241 119.914 0.062 0.000 2.495 434 V HA 0.386 4.505 4.120 -0.000 0.000 0.298 434 V C -0.702 175.389 176.094 -0.005 0.000 1.031 434 V CA -0.512 61.805 62.300 0.029 0.000 0.871 434 V CB 1.961 33.785 31.823 0.000 0.000 0.988 434 V HN 0.415 nan 8.190 nan 0.000 0.432 435 F N 4.604 124.456 119.950 -0.164 0.000 2.444 435 F HA 0.531 5.058 4.527 -0.000 0.000 0.342 435 F C 0.876 176.512 175.800 -0.272 0.000 1.121 435 F CA -0.613 57.259 58.000 -0.214 0.000 0.997 435 F CB 1.135 40.046 39.000 -0.148 0.000 1.130 435 F HN 0.645 nan 8.300 nan 0.000 0.454 436 N N 3.148 121.263 118.700 -0.976 0.000 2.707 436 N HA -0.194 4.546 4.740 -0.000 0.000 0.253 436 N C -0.290 174.952 175.510 -0.447 0.000 0.998 436 N CA 1.191 53.790 53.050 -0.752 0.000 0.751 436 N CB -0.975 37.256 38.487 -0.427 0.000 0.920 436 N HN 0.996 nan 8.380 nan 0.000 0.539 437 G N -1.956 106.445 108.800 -0.666 0.000 2.619 437 G HA2 0.611 4.570 3.960 -0.000 0.000 0.305 437 G HA3 0.611 4.570 3.960 -0.000 0.000 0.305 437 G C -1.746 172.780 174.900 -0.622 0.000 1.330 437 G CA -0.933 43.951 45.100 -0.359 0.000 0.789 437 G HN 0.120 nan 8.290 nan 0.000 0.487 438 W N 0.336 121.713 121.300 0.129 0.000 2.666 438 W HA 0.513 5.172 4.660 -0.000 0.000 0.334 438 W C -1.237 175.353 176.519 0.117 0.000 1.051 438 W CA -1.819 55.617 57.345 0.152 0.000 1.224 438 W CB 2.213 31.762 29.460 0.147 0.000 1.405 438 W HN 0.403 nan 8.180 nan 0.000 0.513 439 P HA -0.158 nan 4.420 nan 0.000 0.226 439 P C 1.256 178.713 177.300 0.261 0.000 1.153 439 P CA 1.736 64.987 63.100 0.253 0.000 0.777 439 P CB -0.062 31.787 31.700 0.248 0.000 0.794 440 T N -1.097 113.607 114.554 0.251 0.000 2.624 440 T HA -0.129 4.221 4.350 -0.000 0.000 0.268 440 T C 1.494 176.369 174.700 0.292 0.000 1.041 440 T CA 1.276 63.494 62.100 0.197 0.000 1.159 440 T CB -1.678 67.129 68.868 -0.101 0.000 0.863 440 T HN 0.227 nan 8.240 nan 0.000 0.434 441 G N 1.072 110.011 108.800 0.232 0.000 2.406 441 G HA2 0.454 4.414 3.960 -0.000 0.000 0.251 441 G HA3 0.454 4.414 3.960 -0.000 0.000 0.251 441 G C -0.824 174.200 174.900 0.207 0.000 1.271 441 G CA -0.575 44.668 45.100 0.238 0.000 0.859 441 G HN 0.420 nan 8.290 nan 0.000 0.540 442 V N 2.925 122.948 119.914 0.180 0.000 2.305 442 V HA 0.163 4.283 4.120 -0.000 0.000 0.275 442 V C 0.043 176.185 176.094 0.079 0.000 1.020 442 V CA -0.847 61.526 62.300 0.122 0.000 0.811 442 V CB 1.035 32.885 31.823 0.046 0.000 1.031 442 V HN 0.864 nan 8.190 nan 0.000 0.439 443 E N 3.761 124.008 120.200 0.079 0.000 2.415 443 E HA 0.120 4.469 4.350 -0.000 0.000 0.260 443 E C -0.274 176.330 176.600 0.007 0.000 1.016 443 E CA 0.095 56.524 56.400 0.049 0.000 0.924 443 E CB 1.116 30.850 29.700 0.057 0.000 0.961 443 E HN 0.444 nan 8.360 nan 0.000 0.459 444 V N 6.098 125.995 119.914 -0.028 0.000 2.223 444 V HA 0.458 4.577 4.120 -0.000 0.000 0.249 444 V C 0.812 176.820 176.094 -0.143 0.000 1.233 444 V CA 0.543 62.784 62.300 -0.097 0.000 1.131 444 V CB -0.107 31.647 31.823 -0.115 0.000 1.298 444 V HN 0.734 nan 8.190 nan 0.000 0.498 445 G N 1.351 110.069 108.800 -0.136 0.000 3.259 445 G HA2 0.378 4.338 3.960 -0.000 0.000 0.178 445 G HA3 0.378 4.338 3.960 -0.000 0.000 0.178 445 G C -0.170 174.560 174.900 -0.283 0.000 1.129 445 G CA -0.167 44.838 45.100 -0.159 0.000 0.816 445 G HN 0.297 nan 8.290 nan 0.000 0.634 446 Y N 0.012 120.289 120.300 -0.039 0.000 2.503 446 Y HA 0.365 4.915 4.550 -0.000 0.000 0.277 446 Y C 2.719 178.626 175.900 0.010 0.000 1.102 446 Y CA 0.864 58.951 58.100 -0.023 0.000 1.261 446 Y CB 0.491 38.942 38.460 -0.014 0.000 1.096 446 Y HN 0.382 nan 8.280 nan 0.000 0.546 447 A N -0.423 122.488 122.820 0.153 0.000 2.275 447 A HA 0.158 4.477 4.320 -0.000 0.000 0.212 447 A C 0.941 178.576 177.584 0.085 0.000 1.201 447 A CA -0.163 51.939 52.037 0.109 0.000 0.843 447 A CB -0.622 18.433 19.000 0.091 0.000 0.873 447 A HN 0.232 nan 8.150 nan 0.000 0.492 448 M N 0.708 120.350 119.600 0.071 0.000 2.252 448 M HA 0.266 4.746 4.480 -0.000 0.000 0.333 448 M C -0.812 175.549 176.300 0.101 0.000 1.111 448 M CA 0.489 55.839 55.300 0.082 0.000 1.140 448 M CB 0.517 33.156 32.600 0.065 0.000 1.538 448 M HN -0.046 nan 8.290 nan 0.000 0.448 449 V N 5.718 125.706 119.914 0.122 0.000 2.439 449 V HA 0.215 4.335 4.120 -0.000 0.000 0.277 449 V C -1.417 174.778 176.094 0.168 0.000 1.008 449 V CA -0.591 61.783 62.300 0.124 0.000 0.846 449 V CB 0.683 32.558 31.823 0.088 0.000 1.031 449 V HN 0.860 nan 8.190 nan 0.000 0.441 450 H N 3.316 122.443 119.070 0.096 0.000 2.690 450 H HA 0.763 5.319 4.556 -0.001 0.000 0.280 450 H C 0.300 175.703 175.328 0.126 0.000 1.138 450 H CA 0.883 57.002 56.048 0.118 0.000 1.241 450 H CB 0.926 30.775 29.762 0.144 0.000 1.394 450 H HN 0.865 nan 8.280 nan 0.000 0.489 451 G N 2.013 110.736 108.800 -0.128 0.000 2.441 451 G HA2 0.467 4.427 3.960 -0.000 0.000 0.222 451 G HA3 0.467 4.427 3.960 -0.000 0.000 0.222 451 G C -0.247 174.641 174.900 -0.019 0.000 1.254 451 G CA -0.173 44.893 45.100 -0.056 0.000 0.959 451 G HN 1.243 nan 8.290 nan 0.000 0.474 452 G N -1.241 107.572 108.800 0.022 0.000 2.346 452 G HA2 0.502 4.462 3.960 -0.000 0.000 0.294 452 G HA3 0.502 4.462 3.960 -0.000 0.000 0.294 452 G C -3.417 171.504 174.900 0.035 0.000 1.294 452 G CA 0.122 45.237 45.100 0.025 0.000 0.962 452 G HN 0.823 nan 8.290 nan 0.000 0.508 453 P HA 0.267 nan 4.420 nan 0.000 0.268 453 P C -0.329 177.022 177.300 0.086 0.000 1.208 453 P CA -0.019 63.119 63.100 0.064 0.000 0.777 453 P CB 0.190 31.927 31.700 0.061 0.000 0.875 454 Y N 5.460 125.746 120.300 -0.023 0.000 2.811 454 Y HA -0.005 4.545 4.550 -0.001 0.000 0.334 454 Y C -1.028 174.868 175.900 -0.007 0.000 1.247 454 Y CA -0.634 57.443 58.100 -0.039 0.000 1.526 454 Y CB 0.219 38.626 38.460 -0.089 0.000 1.284 454 Y HN 0.409 nan 8.280 nan 0.000 0.586 455 P HA 0.055 nan 4.420 nan 0.000 0.255 455 P C 0.715 177.811 177.300 -0.340 0.000 1.248 455 P CA 1.036 63.624 63.100 -0.853 0.000 0.807 455 P CB 0.118 31.366 31.700 -0.754 0.000 1.150 456 A N 0.145 122.884 122.820 -0.135 0.000 1.958 456 A HA -0.097 4.223 4.320 -0.000 0.000 0.221 456 A C 1.385 178.954 177.584 -0.024 0.000 1.178 456 A CA 1.806 53.812 52.037 -0.052 0.000 0.642 456 A CB -0.798 18.192 19.000 -0.015 0.000 0.816 456 A HN 0.415 nan 8.150 nan 0.000 0.453 457 S N -3.969 111.729 115.700 -0.002 0.000 2.550 457 S HA 0.402 4.872 4.470 -0.000 0.000 0.270 457 S C 0.532 175.210 174.600 0.129 0.000 1.145 457 S CA 0.297 58.552 58.200 0.093 0.000 0.852 457 S CB 1.227 64.504 63.200 0.130 0.000 1.119 457 S HN 0.655 nan 8.310 nan 0.000 0.465 458 T N 0.105 114.776 114.554 0.195 0.000 3.129 458 T HA 0.201 4.550 4.350 -0.000 0.000 0.251 458 T C 0.341 175.164 174.700 0.204 0.000 1.117 458 T CA 0.725 62.900 62.100 0.126 0.000 1.034 458 T CB -0.414 68.491 68.868 0.063 0.000 0.968 458 T HN 0.672 nan 8.240 nan 0.000 0.526 459 H N 0.886 120.041 119.070 0.142 0.000 2.699 459 H HA 0.457 5.013 4.556 -0.000 0.000 0.256 459 H C 1.204 176.624 175.328 0.153 0.000 1.376 459 H CA -0.348 55.784 56.048 0.140 0.000 1.549 459 H CB 0.764 30.613 29.762 0.144 0.000 1.686 459 H HN 0.121 nan 8.280 nan 0.000 0.550 460 S N 1.878 117.533 115.700 -0.075 0.000 2.420 460 S HA -0.177 4.293 4.470 -0.000 0.000 0.237 460 S C 1.677 176.201 174.600 -0.126 0.000 1.023 460 S CA 0.784 58.947 58.200 -0.062 0.000 0.991 460 S CB -0.107 63.072 63.200 -0.035 0.000 0.792 460 S HN 0.572 nan 8.310 nan 0.000 0.488 461 A N 1.434 124.041 122.820 -0.354 0.000 2.916 461 A HA 0.604 4.924 4.320 -0.000 0.000 0.254 461 A C 0.671 178.220 177.584 -0.059 0.000 1.544 461 A CA 0.054 51.951 52.037 -0.234 0.000 1.224 461 A CB -0.918 17.920 19.000 -0.269 0.000 1.012 461 A HN 0.921 nan 8.150 nan 0.000 0.636 462 S N -1.536 114.192 115.700 0.047 0.000 2.655 462 S HA 0.698 5.168 4.470 -0.000 0.000 0.266 462 S C -0.681 173.985 174.600 0.109 0.000 1.149 462 S CA -0.053 58.230 58.200 0.139 0.000 0.818 462 S CB 1.365 64.754 63.200 0.315 0.000 1.130 462 S HN 0.760 nan 8.310 nan 0.000 0.476 463 T N 0.046 114.650 114.554 0.083 0.000 2.912 463 T HA 0.629 4.978 4.350 -0.000 0.000 0.299 463 T C 0.626 175.380 174.700 0.090 0.000 1.052 463 T CA 0.113 62.280 62.100 0.111 0.000 0.996 463 T CB 1.566 70.505 68.868 0.118 0.000 1.070 463 T HN 1.374 nan 8.240 nan 0.000 0.465 464 S N 2.223 118.028 115.700 0.176 0.000 2.556 464 S HA 0.377 4.847 4.470 -0.000 0.000 0.216 464 S C 0.222 174.893 174.600 0.119 0.000 0.970 464 S CA -0.222 58.077 58.200 0.165 0.000 0.912 464 S CB 0.123 63.495 63.200 0.288 0.000 0.790 464 S HN 0.500 nan 8.310 nan 0.000 0.504 465 V N 0.963 120.957 119.914 0.133 0.000 2.760 465 V HA 0.815 4.935 4.120 -0.000 0.000 0.309 465 V C 0.335 176.464 176.094 0.057 0.000 1.077 465 V CA 0.150 62.472 62.300 0.037 0.000 0.910 465 V CB 0.920 32.707 31.823 -0.061 0.000 1.008 465 V HN 0.739 nan 8.190 nan 0.000 0.424 466 G N 2.844 111.644 108.800 -0.001 0.000 2.515 466 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 0.521 175.340 174.900 -0.135 0.000 1.274 466 G CA -0.169 44.870 45.100 -0.102 0.000 0.874 466 G HN 1.545 nan 8.290 nan 0.000 0.631 467 A N -0.360 122.259 122.820 -0.335 0.000 1.986 467 A HA 0.015 4.335 4.320 -0.000 0.000 0.220 467 A C 1.970 179.581 177.584 0.046 0.000 1.171 467 A CA 2.407 54.260 52.037 -0.306 0.000 0.640 467 A CB -0.317 18.434 19.000 -0.415 0.000 0.811 467 A HN 0.728 nan 8.150 nan 0.000 0.451 468 E N -0.138 120.121 120.200 0.098 0.000 2.478 468 E HA 0.025 4.375 4.350 -0.000 0.000 0.198 468 E C 2.000 178.673 176.600 0.121 0.000 1.046 468 E CA 0.777 57.291 56.400 0.191 0.000 0.870 468 E CB -0.487 29.340 29.700 0.212 0.000 0.818 468 E HN 0.630 nan 8.360 nan 0.000 0.527 469 A N 1.164 124.059 122.820 0.126 0.000 2.070 469 A HA -0.102 4.218 4.320 -0.000 0.000 0.220 469 A C 2.169 179.677 177.584 -0.126 0.000 1.159 469 A CA 0.552 52.604 52.037 0.024 0.000 0.656 469 A CB -0.550 18.538 19.000 0.146 0.000 0.800 469 A HN 0.299 nan 8.150 nan 0.000 0.453 470 I N -1.067 119.471 120.570 -0.053 0.000 2.361 470 I HA -0.230 3.939 4.170 -0.000 0.000 0.251 470 I C 1.954 177.934 176.117 -0.229 0.000 1.133 470 I CA 1.187 62.399 61.300 -0.147 0.000 1.413 470 I CB -0.205 37.706 38.000 -0.149 0.000 1.073 470 I HN 0.407 nan 8.210 nan 0.000 0.424 471 H N 0.950 119.989 119.070 -0.052 0.000 2.521 471 H HA -0.050 4.505 4.556 -0.000 0.000 0.286 471 H C 2.085 177.289 175.328 -0.205 0.000 1.034 471 H CA 0.794 56.810 56.048 -0.052 0.000 1.278 471 H CB -0.192 29.576 29.762 0.010 0.000 1.386 471 H HN 0.432 nan 8.280 nan 0.000 0.567 472 R N -0.175 120.021 120.500 -0.506 0.000 2.189 472 R HA -0.124 4.215 4.340 -0.000 0.000 0.223 472 R C 0.906 176.755 176.300 -0.751 0.000 1.092 472 R CA 1.196 56.699 56.100 -0.995 0.000 0.989 472 R CB -0.075 28.901 30.300 -2.207 0.000 0.876 472 R HN 0.395 nan 8.270 nan 0.000 0.457 473 W N 0.611 121.872 121.300 -0.065 0.000 3.102 473 W HA 0.347 5.007 4.660 -0.000 0.000 0.401 473 W C -0.382 176.167 176.519 0.051 0.000 1.070 473 W CA -0.664 56.681 57.345 -0.000 0.000 1.921 473 W CB 0.339 29.761 29.460 -0.062 0.000 1.118 473 W HN -0.155 nan 8.180 nan 0.000 0.647 474 L N 1.677 123.027 121.223 0.211 0.000 2.354 474 L HA 0.720 5.059 4.340 -0.000 0.000 0.264 474 L C 0.006 176.984 176.870 0.180 0.000 1.008 474 L CA -1.429 53.538 54.840 0.212 0.000 0.819 474 L CB 2.151 44.359 42.059 0.250 0.000 1.339 474 L HN -0.086 nan 8.230 nan 0.000 0.420 475 R N 0.867 121.467 120.500 0.166 0.000 2.725 475 R HA 0.665 5.004 4.340 -0.000 0.000 0.277 475 R C -3.077 173.298 176.300 0.125 0.000 0.987 475 R CA -1.829 54.350 56.100 0.131 0.000 0.901 475 R CB 1.929 32.296 30.300 0.111 0.000 1.207 475 R HN 0.196 nan 8.270 nan 0.000 0.463 476 P HA 0.227 nan 4.420 nan 0.000 0.281 476 P C -0.807 176.526 177.300 0.054 0.000 1.249 476 P CA -0.544 62.612 63.100 0.092 0.000 0.810 476 P CB 1.620 33.365 31.700 0.075 0.000 1.008 477 V N 1.299 121.243 119.914 0.050 0.000 2.686 477 V HA 0.596 4.716 4.120 -0.000 0.000 0.306 477 V C -0.003 176.013 176.094 -0.129 0.000 1.065 477 V CA -0.867 61.377 62.300 -0.093 0.000 0.894 477 V CB 1.799 33.518 31.823 -0.173 0.000 1.004 477 V HN 0.770 nan 8.190 nan 0.000 0.424 478 A N 4.006 126.702 122.820 -0.206 0.000 2.305 478 A HA 0.874 5.194 4.320 -0.000 0.000 0.322 478 A C -1.484 175.939 177.584 -0.268 0.000 1.187 478 A CA -0.339 51.641 52.037 -0.094 0.000 0.825 478 A CB 0.625 19.606 19.000 -0.031 0.000 1.164 478 A HN 0.732 nan 8.150 nan 0.000 0.498 479 Y N 0.701 121.006 120.300 0.009 0.000 2.328 479 Y HA 0.503 5.052 4.550 -0.001 0.000 0.333 479 Y C 0.323 176.225 175.900 0.003 0.000 0.958 479 Y CA -0.320 57.783 58.100 0.006 0.000 1.167 479 Y CB 1.736 40.197 38.460 0.001 0.000 1.151 479 Y HN 0.741 nan 8.280 nan 0.000 0.470 480 Q N 2.511 122.374 119.800 0.105 0.000 2.333 480 Q HA 0.578 4.918 4.340 -0.000 0.000 0.265 480 Q C 0.177 176.213 176.000 0.060 0.000 0.989 480 Q CA -0.110 55.733 55.803 0.067 0.000 0.842 480 Q CB 1.139 29.895 28.738 0.031 0.000 1.262 480 Q HN 0.959 nan 8.270 nan 0.000 0.451 481 A N 3.131 125.982 122.820 0.052 0.000 2.860 481 A HA -0.203 4.116 4.320 -0.000 0.000 0.267 481 A C -0.670 176.939 177.584 0.041 0.000 1.421 481 A CA 0.527 52.586 52.037 0.038 0.000 0.831 481 A CB -1.927 17.090 19.000 0.027 0.000 1.041 481 A HN 0.612 nan 8.150 nan 0.000 0.623 482 L N 1.162 122.420 121.223 0.059 0.000 2.417 482 L HA 0.481 4.821 4.340 -0.000 0.000 0.268 482 L C -1.029 175.856 176.870 0.025 0.000 1.158 482 L CA -1.150 53.722 54.840 0.054 0.000 0.819 482 L CB 0.248 42.360 42.059 0.087 0.000 1.112 482 L HN 0.331 nan 8.230 nan 0.000 0.458 483 P HA 0.092 nan 4.420 nan 0.000 0.274 483 P C 0.037 177.332 177.300 -0.009 0.000 1.231 483 P CA -0.434 62.668 63.100 0.004 0.000 0.790 483 P CB 0.853 32.557 31.700 0.006 0.000 0.951 484 E N 1.110 121.301 120.200 -0.015 0.000 2.086 484 E HA -0.182 4.167 4.350 -0.000 0.000 0.200 484 E C 1.877 178.458 176.600 -0.032 0.000 1.012 484 E CA 2.183 58.566 56.400 -0.028 0.000 0.812 484 E CB -0.864 28.821 29.700 -0.024 0.000 0.743 484 E HN 0.616 nan 8.360 nan 0.000 0.453 485 S N 0.129 115.817 115.700 -0.020 0.000 2.442 485 S HA -0.061 4.408 4.470 -0.000 0.000 0.236 485 S C 1.994 176.583 174.600 -0.018 0.000 1.007 485 S CA 0.682 58.871 58.200 -0.018 0.000 0.965 485 S CB -0.259 62.936 63.200 -0.009 0.000 0.773 485 S HN 0.192 nan 8.310 nan 0.000 0.504 486 L N 0.227 121.441 121.223 -0.016 0.000 2.585 486 L HA 0.409 4.749 4.340 -0.000 0.000 0.226 486 L C 0.350 177.199 176.870 -0.035 0.000 1.113 486 L CA -0.090 54.745 54.840 -0.007 0.000 0.876 486 L CB -0.080 41.990 42.059 0.017 0.000 1.072 486 L HN 0.227 nan 8.230 nan 0.000 0.468 487 L N 1.958 123.135 121.223 -0.077 0.000 2.371 487 L HA 0.275 4.614 4.340 -0.000 0.000 0.272 487 L C -1.815 174.937 176.870 -0.197 0.000 1.124 487 L CA -1.829 52.907 54.840 -0.175 0.000 0.816 487 L CB 0.660 42.618 42.059 -0.167 0.000 1.129 487 L HN -0.170 nan 8.230 nan 0.000 0.448 488 P HA -0.003 nan 4.420 nan 0.000 0.269 488 P C -0.367 176.807 177.300 -0.210 0.000 1.215 488 P CA -0.316 62.648 63.100 -0.227 0.000 0.780 488 P CB 0.890 32.422 31.700 -0.280 0.000 0.898 489 D N 0.932 121.237 120.400 -0.158 0.000 2.172 489 D HA -0.163 4.476 4.640 -0.000 0.000 0.196 489 D C 1.976 178.159 176.300 -0.194 0.000 0.999 489 D CA 2.107 56.021 54.000 -0.142 0.000 0.856 489 D CB -0.635 40.105 40.800 -0.099 0.000 0.934 489 D HN 0.486 nan 8.370 nan 0.000 0.453 490 S N -0.111 115.406 115.700 -0.305 0.000 2.419 490 S HA -0.107 4.362 4.470 -0.000 0.000 0.235 490 S C 1.892 176.334 174.600 -0.264 0.000 1.019 490 S CA 0.673 58.637 58.200 -0.392 0.000 0.982 490 S CB -0.329 62.394 63.200 -0.794 0.000 0.789 490 S HN 0.299 nan 8.310 nan 0.000 0.490 491 L N -0.125 120.950 121.223 -0.247 0.000 2.766 491 L HA 0.332 4.672 4.340 -0.000 0.000 0.242 491 L C 0.444 177.227 176.870 -0.144 0.000 1.136 491 L CA -0.260 54.464 54.840 -0.193 0.000 0.933 491 L CB 0.033 41.941 42.059 -0.252 0.000 1.241 491 L HN 0.078 nan 8.230 nan 0.000 0.522 492 K N 0.597 120.916 120.400 -0.134 0.000 2.436 492 K HA 0.148 4.468 4.320 -0.000 0.000 0.275 492 K C 1.325 177.884 176.600 -0.069 0.000 0.999 492 K CA 0.252 56.482 56.287 -0.094 0.000 0.980 492 K CB 1.423 33.874 32.500 -0.083 0.000 0.919 492 K HN 0.050 nan 8.250 nan 0.000 0.484 493 A N 3.720 126.509 122.820 -0.051 0.000 1.927 493 A HA -0.260 4.059 4.320 -0.000 0.000 0.220 493 A C 1.696 179.259 177.584 -0.034 0.000 1.185 493 A CA 2.125 54.140 52.037 -0.037 0.000 0.639 493 A CB -0.551 18.433 19.000 -0.027 0.000 0.820 493 A HN 0.905 nan 8.150 nan 0.000 0.451 494 E N -0.924 119.256 120.200 -0.034 0.000 2.427 494 E HA -0.022 4.328 4.350 -0.000 0.000 0.196 494 E C 0.593 177.173 176.600 -0.033 0.000 1.028 494 E CA 0.289 56.671 56.400 -0.029 0.000 0.864 494 E CB -0.268 29.417 29.700 -0.025 0.000 0.813 494 E HN 0.456 nan 8.360 nan 0.000 0.514 495 N N 1.117 119.790 118.700 -0.045 0.000 2.708 495 N HA -0.121 4.619 4.740 -0.000 0.000 0.255 495 N C -1.642 173.843 175.510 -0.041 0.000 1.046 495 N CA 0.783 53.803 53.050 -0.050 0.000 0.715 495 N CB -0.378 38.085 38.487 -0.040 0.000 0.895 495 N HN 0.241 nan 8.380 nan 0.000 0.545 496 P HA -0.153 nan 4.420 nan 0.000 0.221 496 P C 1.466 178.751 177.300 -0.025 0.000 1.145 496 P CA 0.940 64.021 63.100 -0.031 0.000 0.795 496 P CB 0.164 31.843 31.700 -0.034 0.000 0.775 497 L N -0.797 120.405 121.223 -0.035 0.000 2.509 497 L HA 0.097 4.437 4.340 -0.000 0.000 0.222 497 L C 0.663 177.530 176.870 -0.005 0.000 1.123 497 L CA 0.318 55.148 54.840 -0.017 0.000 0.856 497 L CB -0.937 41.105 42.059 -0.029 0.000 0.985 497 L HN -0.036 nan 8.230 nan 0.000 0.456 498 E N 1.089 121.280 120.200 -0.014 0.000 2.416 498 E HA -0.220 4.129 4.350 -0.000 0.000 0.249 498 E C -0.012 176.589 176.600 0.002 0.000 1.124 498 E CA 0.373 56.769 56.400 -0.006 0.000 0.732 498 E CB -1.841 27.860 29.700 0.000 0.000 1.286 498 E HN 0.646 nan 8.360 nan 0.000 0.394 499 I N -3.089 117.478 120.570 -0.004 0.000 2.934 499 I HA 0.658 4.828 4.170 -0.000 0.000 0.315 499 I C 0.598 176.717 176.117 0.005 0.000 0.997 499 I CA -0.993 60.314 61.300 0.012 0.000 1.184 499 I CB 1.072 39.083 38.000 0.019 0.000 1.400 499 I HN -0.007 nan 8.210 nan 0.000 0.549 500 A N 3.789 126.620 122.820 0.017 0.000 2.409 500 A HA 0.569 4.889 4.320 -0.000 0.000 0.262 500 A C -0.032 177.556 177.584 0.007 0.000 1.113 500 A CA -0.426 51.618 52.037 0.012 0.000 0.790 500 A CB 0.117 19.130 19.000 0.021 0.000 1.046 500 A HN 0.817 nan 8.150 nan 0.000 0.496 501 R N 1.263 121.763 120.500 -0.001 0.000 2.673 501 R HA 0.611 4.950 4.340 -0.000 0.000 0.281 501 R C -0.890 175.409 176.300 -0.001 0.000 0.991 501 R CA -0.633 55.464 56.100 -0.004 0.000 0.896 501 R CB 2.386 32.675 30.300 -0.019 0.000 1.201 501 R HN 0.769 nan 8.270 nan 0.000 0.457 502 A N 2.471 125.293 122.820 0.003 0.000 2.260 502 A HA 0.521 4.841 4.320 -0.000 0.000 0.308 502 A C -0.298 177.288 177.584 0.002 0.000 1.254 502 A CA -0.543 51.496 52.037 0.003 0.000 0.874 502 A CB 0.810 19.814 19.000 0.007 0.000 1.153 502 A HN 0.377 nan 8.150 nan 0.000 0.527 503 V N 3.298 123.213 119.914 0.000 0.000 2.417 503 V HA 0.289 4.409 4.120 -0.000 0.000 0.291 503 V C -0.236 175.860 176.094 0.002 0.000 1.024 503 V CA -0.510 61.790 62.300 0.000 0.000 0.861 503 V CB 1.209 33.031 31.823 -0.003 0.000 0.985 503 V HN 0.998 nan 8.190 nan 0.000 0.436 504 D N 4.398 124.800 120.400 0.004 0.000 2.702 504 D HA -0.229 4.410 4.640 -0.000 0.000 0.233 504 D C 1.348 177.650 176.300 0.003 0.000 1.164 504 D CA 1.539 55.542 54.000 0.004 0.000 0.638 504 D CB -0.974 39.828 40.800 0.003 0.000 1.041 504 D HN 1.390 nan 8.370 nan 0.000 0.422 505 G N -0.775 108.027 108.800 0.004 0.000 2.267 505 G HA2 -0.388 3.571 3.960 -0.000 0.000 0.257 505 G HA3 -0.388 3.571 3.960 -0.000 0.000 0.257 505 G C 0.578 175.479 174.900 0.002 0.000 0.998 505 G CA 0.752 45.854 45.100 0.003 0.000 0.620 505 G HN 0.514 nan 8.290 nan 0.000 0.529 506 K N 0.931 121.331 120.400 0.001 0.000 2.285 506 K HA 0.503 4.823 4.320 -0.000 0.000 0.255 506 K C 1.075 177.675 176.600 0.000 0.000 1.000 506 K CA 0.100 56.387 56.287 -0.000 0.000 0.887 506 K CB 0.294 32.794 32.500 -0.001 0.000 0.997 506 K HN 0.653 nan 8.250 nan 0.000 0.510 507 A N 1.141 123.961 122.820 -0.001 0.000 2.462 507 A HA 0.370 4.690 4.320 -0.000 0.000 0.243 507 A C 0.314 177.898 177.584 0.001 0.000 1.076 507 A CA 0.058 52.094 52.037 -0.000 0.000 0.773 507 A CB 0.134 19.133 19.000 -0.002 0.000 1.010 507 A HN 0.758 nan 8.150 nan 0.000 0.493 508 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 0.012 0.000 0.831 508 A HN 0.000 nan 8.150 nan 0.000 0.486