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 2afi_1_J DATA FIRST_RESID 2 DATA SEQUENCE SQQVDKIKAS YPLFLDQDYK DMLAKKRDGF EEKYPQDKID EVFQWTTTKE DATA SEQUENCE YQELNFQREA LTVNPAKACQ PLGAVLCALG FEKTMPYVHG SQGCVAYFRS DATA SEQUENCE YFNRHFREPV SCVSDSMTED AAVFGGQQNM KDGLQNCKAT YKPDMIAVST DATA SEQUENCE TCMAEVIGDD LNAFINNSKK EGFIPDEFPV PFAHTPSFVG SHVTGWDNMF DATA SEQUENCE EGIARYFTLK SMDDKVVGSN KKINIVPGFE TYLGNFRVIK RMLSEMGVGY DATA SEQUENCE SLLSDPEEVL DTPADGQFRM YAGGTTQEEM KDAPNALNTV LLQPWHLEKT DATA SEQUENCE KKFVEGTWKH EVPKLNIPMG LDWTDEFLMK VSEISGQPIP ASLTKERGRL DATA SEQUENCE VDMMTDSHTW LHGKRFALWG DPDFVMGLVK FLLELGCEPV HILCHNGNKR DATA SEQUENCE WKKAVDAILA ASPYGKNATV YIGKDLWHLR SLVFTDKPDF MIGNSYGKFI DATA SEQUENCE QRDTLHKGKE FEVPLIRIGF PIFDRHHLHR STTLGYEGAM QILTTLVNSI DATA SEQUENCE LERLDEETRG MQATDYNHDL VR 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 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.615 174.600 0.026 0.000 1.055 2 S CA 0.000 58.215 58.200 0.025 0.000 1.107 2 S CB 0.000 63.202 63.200 0.003 0.000 0.593 3 Q N 1.513 121.318 119.800 0.008 0.000 2.304 3 Q HA 0.420 4.760 4.340 -0.001 0.000 0.270 3 Q C -1.270 174.724 176.000 -0.011 0.000 1.035 3 Q CA -0.605 55.194 55.803 -0.007 0.000 0.781 3 Q CB 2.477 31.208 28.738 -0.011 0.000 1.261 3 Q HN 0.621 nan 8.270 nan 0.000 0.444 4 Q N 1.019 120.809 119.800 -0.017 0.000 2.286 4 Q HA 0.099 4.439 4.340 -0.001 0.000 0.257 4 Q C 0.956 176.946 176.000 -0.015 0.000 0.941 4 Q CA -0.009 55.785 55.803 -0.014 0.000 0.912 4 Q CB 1.708 30.436 28.738 -0.016 0.000 1.192 4 Q HN 0.513 nan 8.270 nan 0.000 0.410 5 V N 3.899 123.806 119.914 -0.011 0.000 2.626 5 V HA -0.225 3.895 4.120 -0.001 0.000 0.252 5 V C 0.767 176.854 176.094 -0.012 0.000 1.067 5 V CA 2.049 64.342 62.300 -0.011 0.000 1.081 5 V CB -0.107 31.712 31.823 -0.007 0.000 0.686 5 V HN 0.857 nan 8.190 nan 0.000 0.468 6 D N -0.041 120.352 120.400 -0.012 0.000 2.117 6 D HA -0.122 4.517 4.640 -0.001 0.000 0.198 6 D C 1.219 177.510 176.300 -0.015 0.000 0.982 6 D CA 1.004 54.997 54.000 -0.011 0.000 0.828 6 D CB 0.206 41.001 40.800 -0.010 0.000 0.967 6 D HN 0.369 nan 8.370 nan 0.000 0.464 7 K N 0.856 121.244 120.400 -0.020 0.000 2.572 7 K HA 0.329 4.648 4.320 -0.001 0.000 0.244 7 K C -0.773 175.805 176.600 -0.036 0.000 0.965 7 K CA -0.319 55.952 56.287 -0.027 0.000 0.943 7 K CB 1.000 33.483 32.500 -0.028 0.000 1.154 7 K HN -0.120 nan 8.250 nan 0.000 0.447 8 I N 3.212 123.760 120.570 -0.036 0.000 2.638 8 I HA 0.125 4.294 4.170 -0.001 0.000 0.286 8 I C 0.182 176.257 176.117 -0.069 0.000 1.088 8 I CA -0.197 61.075 61.300 -0.046 0.000 1.397 8 I CB 0.982 38.961 38.000 -0.036 0.000 1.414 8 I HN 0.361 nan 8.210 nan 0.000 0.566 9 K N 4.586 124.928 120.400 -0.097 0.000 2.244 9 K HA 0.657 4.976 4.320 -0.001 0.000 0.260 9 K C -0.409 176.090 176.600 -0.169 0.000 0.951 9 K CA -0.595 55.604 56.287 -0.146 0.000 0.826 9 K CB 2.013 34.399 32.500 -0.189 0.000 1.108 9 K HN 0.696 nan 8.250 nan 0.000 0.433 10 A N 1.516 124.245 122.820 -0.153 0.000 2.250 10 A HA 0.198 4.517 4.320 -0.001 0.000 0.283 10 A C 1.220 178.675 177.584 -0.214 0.000 1.206 10 A CA -0.194 51.767 52.037 -0.126 0.000 0.840 10 A CB 0.187 19.161 19.000 -0.044 0.000 1.220 10 A HN 0.757 nan 8.150 nan 0.000 0.505 11 S N -1.533 114.086 115.700 -0.135 0.000 2.389 11 S HA -0.171 4.299 4.470 -0.001 0.000 0.231 11 S C 0.427 174.960 174.600 -0.113 0.000 1.052 11 S CA 2.210 60.322 58.200 -0.146 0.000 1.053 11 S CB -0.449 62.866 63.200 0.192 0.000 0.886 11 S HN 0.645 nan 8.310 nan 0.000 0.456 12 Y N 3.201 123.459 120.300 -0.070 0.000 2.335 12 Y HA 0.466 5.016 4.550 -0.001 0.000 0.338 12 Y C -2.619 173.241 175.900 -0.066 0.000 0.977 12 Y CA -2.486 55.591 58.100 -0.038 0.000 1.114 12 Y CB 1.732 40.200 38.460 0.014 0.000 1.182 12 Y HN -0.097 nan 8.280 nan 0.000 0.463 13 P HA 0.059 nan 4.420 nan 0.000 0.241 13 P C 0.526 177.580 177.300 -0.410 0.000 1.783 13 P CA 0.054 62.645 63.100 -0.849 0.000 1.052 13 P CB 0.466 31.647 31.700 -0.865 0.000 1.594 14 L N -0.034 120.924 121.223 -0.442 0.000 2.056 14 L HA -0.007 4.332 4.340 -0.001 0.000 0.207 14 L C 1.707 178.240 176.870 -0.561 0.000 1.078 14 L CA 1.983 56.511 54.840 -0.520 0.000 0.749 14 L CB -1.138 40.474 42.059 -0.745 0.000 0.901 14 L HN -0.159 nan 8.230 nan 0.000 0.433 15 F N -1.090 118.699 119.950 -0.269 0.000 2.699 15 F HA -0.021 4.505 4.527 -0.001 0.000 0.298 15 F C 1.828 177.599 175.800 -0.048 0.000 1.154 15 F CA 0.258 58.097 58.000 -0.268 0.000 1.457 15 F CB -0.661 38.211 39.000 -0.215 0.000 1.106 15 F HN 0.077 nan 8.300 nan 0.000 0.585 16 L N -0.732 120.523 121.223 0.054 0.000 2.554 16 L HA 0.039 4.379 4.340 -0.001 0.000 0.226 16 L C 0.637 177.555 176.870 0.080 0.000 1.137 16 L CA 0.514 55.398 54.840 0.074 0.000 0.863 16 L CB -0.795 41.271 42.059 0.011 0.000 0.985 16 L HN -0.147 nan 8.230 nan 0.000 0.451 17 D N -1.031 119.432 120.400 0.105 0.000 2.399 17 D HA -0.054 4.585 4.640 -0.001 0.000 0.241 17 D C 1.040 177.437 176.300 0.161 0.000 1.133 17 D CA 0.080 54.160 54.000 0.133 0.000 0.890 17 D CB 1.272 42.195 40.800 0.205 0.000 1.201 17 D HN -0.028 nan 8.370 nan 0.000 0.432 18 Q N 1.670 121.529 119.800 0.097 0.000 2.084 18 Q HA -0.194 4.145 4.340 -0.001 0.000 0.202 18 Q C 1.032 177.074 176.000 0.069 0.000 0.978 18 Q CA 2.145 57.994 55.803 0.076 0.000 0.844 18 Q CB -0.132 28.632 28.738 0.043 0.000 0.898 18 Q HN 0.600 nan 8.270 nan 0.000 0.426 19 D N -1.443 118.977 120.400 0.034 0.000 2.117 19 D HA -0.212 4.427 4.640 -0.001 0.000 0.197 19 D C 1.384 177.671 176.300 -0.022 0.000 0.987 19 D CA 1.433 55.406 54.000 -0.046 0.000 0.829 19 D CB -0.801 39.903 40.800 -0.160 0.000 0.961 19 D HN 0.336 nan 8.370 nan 0.000 0.460 20 Y N 0.946 121.295 120.300 0.082 0.000 2.200 20 Y HA -0.010 4.539 4.550 -0.001 0.000 0.290 20 Y C 2.345 178.303 175.900 0.097 0.000 1.137 20 Y CA 0.994 59.170 58.100 0.125 0.000 1.163 20 Y CB -0.195 38.402 38.460 0.228 0.000 0.988 20 Y HN -0.104 nan 8.280 nan 0.000 0.518 21 K N -0.096 120.450 120.400 0.243 0.000 2.057 21 K HA -0.193 4.127 4.320 -0.001 0.000 0.207 21 K C 1.609 178.271 176.600 0.105 0.000 1.049 21 K CA 1.687 58.066 56.287 0.152 0.000 0.931 21 K CB -0.216 32.354 32.500 0.117 0.000 0.714 21 K HN 0.267 nan 8.250 nan 0.000 0.440 22 D N 0.638 121.088 120.400 0.083 0.000 2.117 22 D HA -0.183 4.456 4.640 -0.001 0.000 0.197 22 D C 1.772 178.105 176.300 0.056 0.000 0.987 22 D CA 1.017 55.049 54.000 0.052 0.000 0.829 22 D CB -0.087 40.731 40.800 0.031 0.000 0.961 22 D HN 0.182 nan 8.370 nan 0.000 0.460 23 M N 0.156 119.796 119.600 0.068 0.000 2.117 23 M HA -0.163 4.316 4.480 -0.001 0.000 0.262 23 M C 1.999 178.351 176.300 0.086 0.000 1.065 23 M CA 1.251 56.594 55.300 0.073 0.000 1.114 23 M CB -0.024 32.624 32.600 0.081 0.000 1.361 23 M HN -0.026 nan 8.290 nan 0.000 0.408 24 L N 0.099 121.380 121.223 0.096 0.000 2.056 24 L HA -0.144 4.195 4.340 -0.001 0.000 0.207 24 L C 2.790 179.693 176.870 0.056 0.000 1.078 24 L CA 1.215 56.097 54.840 0.070 0.000 0.749 24 L CB -0.962 41.135 42.059 0.063 0.000 0.901 24 L HN 0.395 nan 8.230 nan 0.000 0.433 25 A N 0.061 122.912 122.820 0.051 0.000 1.902 25 A HA -0.220 4.099 4.320 -0.001 0.000 0.217 25 A C 2.336 179.932 177.584 0.020 0.000 1.181 25 A CA 1.689 53.745 52.037 0.032 0.000 0.623 25 A CB -0.357 18.660 19.000 0.030 0.000 0.818 25 A HN 0.305 nan 8.150 nan 0.000 0.443 26 K N -0.377 120.042 120.400 0.031 0.000 2.057 26 K HA -0.187 4.133 4.320 -0.001 0.000 0.207 26 K C 2.235 178.855 176.600 0.033 0.000 1.049 26 K CA 1.730 58.029 56.287 0.021 0.000 0.931 26 K CB -0.165 32.365 32.500 0.050 0.000 0.714 26 K HN 0.543 nan 8.250 nan 0.000 0.440 27 K N 1.442 121.902 120.400 0.100 0.000 2.057 27 K HA -0.195 4.124 4.320 -0.001 0.000 0.207 27 K C 2.282 178.945 176.600 0.105 0.000 1.049 27 K CA 1.320 57.717 56.287 0.182 0.000 0.931 27 K CB -0.031 32.553 32.500 0.141 0.000 0.714 27 K HN 0.004 nan 8.250 nan 0.000 0.440 28 R N 0.373 120.900 120.500 0.044 0.000 2.066 28 R HA -0.144 4.195 4.340 -0.001 0.000 0.232 28 R C 1.299 177.577 176.300 -0.036 0.000 1.131 28 R CA 2.134 58.243 56.100 0.016 0.000 0.955 28 R CB -0.257 30.051 30.300 0.013 0.000 0.851 28 R HN 0.231 nan 8.270 nan 0.000 0.432 29 D N -0.347 120.014 120.400 -0.065 0.000 2.117 29 D HA -0.071 4.568 4.640 -0.001 0.000 0.198 29 D C 1.787 177.943 176.300 -0.241 0.000 0.982 29 D CA 1.588 55.519 54.000 -0.116 0.000 0.828 29 D CB -0.574 40.171 40.800 -0.091 0.000 0.967 29 D HN 0.513 nan 8.370 nan 0.000 0.464 30 G N -0.620 107.949 108.800 -0.386 0.000 2.402 30 G HA2 -0.165 3.794 3.960 -0.001 0.000 0.216 30 G HA3 -0.165 3.794 3.960 -0.001 0.000 0.216 30 G C 1.004 175.098 174.900 -1.343 0.000 1.162 30 G CA 0.487 45.012 45.100 -0.957 0.000 0.777 30 G HN 0.275 nan 8.290 nan 0.000 0.539 31 F N -0.344 119.597 119.950 -0.015 0.000 2.789 31 F HA 0.350 4.877 4.527 -0.001 0.000 0.320 31 F C 2.222 178.009 175.800 -0.022 0.000 1.079 31 F CA -0.274 57.715 58.000 -0.018 0.000 1.205 31 F CB 0.274 39.265 39.000 -0.015 0.000 1.046 31 F HN 0.050 nan 8.300 nan 0.000 0.586 32 E N 1.121 121.373 120.200 0.088 0.000 2.204 32 E HA -0.143 4.207 4.350 -0.001 0.000 0.194 32 E C 0.086 176.687 176.600 0.000 0.000 0.989 32 E CA 0.973 57.402 56.400 0.048 0.000 0.824 32 E CB -0.277 29.446 29.700 0.038 0.000 0.756 32 E HN 0.388 nan 8.360 nan 0.000 0.477 33 E N 0.936 121.112 120.200 -0.039 0.000 2.360 33 E HA -0.230 4.119 4.350 -0.001 0.000 0.238 33 E C -0.104 176.436 176.600 -0.100 0.000 1.186 33 E CA 0.323 56.675 56.400 -0.080 0.000 0.719 33 E CB -1.313 28.338 29.700 -0.080 0.000 1.236 33 E HN 0.190 nan 8.360 nan 0.000 0.386 34 K N 0.644 121.013 120.400 -0.051 0.000 2.355 34 K HA 0.141 4.460 4.320 -0.001 0.000 0.270 34 K C -0.163 176.428 176.600 -0.015 0.000 1.003 34 K CA -0.143 56.143 56.287 -0.002 0.000 0.957 34 K CB 0.423 32.942 32.500 0.032 0.000 0.939 34 K HN 0.002 nan 8.250 nan 0.000 0.482 35 Y N 2.971 123.270 120.300 -0.002 0.000 2.379 35 Y HA 0.094 4.643 4.550 -0.001 0.000 0.337 35 Y C -1.634 174.267 175.900 0.002 0.000 1.238 35 Y CA -1.410 56.690 58.100 -0.000 0.000 1.405 35 Y CB 0.217 38.680 38.460 0.006 0.000 1.310 35 Y HN 0.605 nan 8.280 nan 0.000 0.569 36 P HA -0.049 nan 4.420 nan 0.000 0.269 36 P C 0.020 177.380 177.300 0.099 0.000 1.217 36 P CA -0.045 63.113 63.100 0.096 0.000 0.783 36 P CB 0.723 32.469 31.700 0.077 0.000 0.898 37 Q N 1.347 121.188 119.800 0.068 0.000 2.167 37 Q HA -0.168 4.171 4.340 -0.001 0.000 0.202 37 Q C 0.924 176.962 176.000 0.062 0.000 0.970 37 Q CA 1.935 57.775 55.803 0.062 0.000 0.855 37 Q CB -0.733 28.034 28.738 0.049 0.000 0.911 37 Q HN 0.378 nan 8.270 nan 0.000 0.438 38 D N -0.569 119.864 120.400 0.055 0.000 2.117 38 D HA -0.117 4.522 4.640 -0.001 0.000 0.198 38 D C 1.525 177.855 176.300 0.050 0.000 0.982 38 D CA 1.147 55.175 54.000 0.048 0.000 0.828 38 D CB -0.036 40.786 40.800 0.037 0.000 0.967 38 D HN 0.110 nan 8.370 nan 0.000 0.464 39 K N 0.424 120.859 120.400 0.058 0.000 2.057 39 K HA 0.019 4.339 4.320 -0.001 0.000 0.206 39 K C 1.900 178.514 176.600 0.024 0.000 1.050 39 K CA 0.731 57.043 56.287 0.041 0.000 0.935 39 K CB -0.257 32.292 32.500 0.083 0.000 0.715 39 K HN 0.116 nan 8.250 nan 0.000 0.439 40 I N 0.880 121.480 120.570 0.050 0.000 2.226 40 I HA -0.288 3.881 4.170 -0.001 0.000 0.245 40 I C 1.505 177.690 176.117 0.114 0.000 1.100 40 I CA 1.393 62.727 61.300 0.058 0.000 1.374 40 I CB -0.342 37.697 38.000 0.065 0.000 1.057 40 I HN 0.248 nan 8.210 nan 0.000 0.413 41 D N 0.487 120.954 120.400 0.112 0.000 2.117 41 D HA -0.215 4.424 4.640 -0.001 0.000 0.197 41 D C 2.021 178.403 176.300 0.137 0.000 0.987 41 D CA 1.142 55.230 54.000 0.147 0.000 0.829 41 D CB -0.209 40.648 40.800 0.095 0.000 0.961 41 D HN 0.378 nan 8.370 nan 0.000 0.460 42 E N 0.432 120.679 120.200 0.077 0.000 2.077 42 E HA -0.141 4.208 4.350 -0.001 0.000 0.193 42 E C 2.070 178.712 176.600 0.070 0.000 0.989 42 E CA 0.835 57.262 56.400 0.045 0.000 0.800 42 E CB 0.216 29.919 29.700 0.006 0.000 0.746 42 E HN 0.021 nan 8.360 nan 0.000 0.452 43 V N 0.893 120.856 119.914 0.081 0.000 2.427 43 V HA -0.205 3.914 4.120 -0.001 0.000 0.248 43 V C 2.069 178.266 176.094 0.171 0.000 1.051 43 V CA 1.684 64.075 62.300 0.151 0.000 1.048 43 V CB -0.640 31.236 31.823 0.089 0.000 0.666 43 V HN 0.338 nan 8.190 nan 0.000 0.456 44 F N 0.756 120.717 119.950 0.017 0.000 2.146 44 F HA -0.137 4.389 4.527 -0.001 0.000 0.298 44 F C 2.501 178.208 175.800 -0.154 0.000 1.096 44 F CA 1.749 59.719 58.000 -0.050 0.000 1.275 44 F CB -0.327 38.700 39.000 0.045 0.000 1.008 44 F HN 0.031 nan 8.300 nan 0.000 0.480 45 Q N -0.567 119.097 119.800 -0.227 0.000 2.170 45 Q HA -0.242 4.097 4.340 -0.001 0.000 0.203 45 Q C 2.011 177.799 176.000 -0.354 0.000 0.976 45 Q CA 1.723 57.303 55.803 -0.371 0.000 0.858 45 Q CB -0.921 27.746 28.738 -0.119 0.000 0.907 45 Q HN 0.703 nan 8.270 nan 0.000 0.433 46 W N 1.434 122.514 121.300 -0.367 0.000 2.358 46 W HA -0.195 4.465 4.660 -0.001 0.000 0.303 46 W C 2.177 178.413 176.519 -0.471 0.000 1.208 46 W CA 2.841 60.007 57.345 -0.297 0.000 1.274 46 W CB -0.726 28.632 29.460 -0.170 0.000 1.138 46 W HN 0.210 nan 8.180 nan 0.000 0.515 47 T N -2.390 111.558 114.554 -1.010 0.000 2.915 47 T HA -0.206 4.143 4.350 -0.001 0.000 0.269 47 T C 1.737 175.697 174.700 -1.232 0.000 1.071 47 T CA 2.114 63.197 62.100 -1.694 0.000 1.132 47 T CB -1.341 66.649 68.868 -1.464 0.000 0.878 47 T HN 0.295 nan 8.240 nan 0.000 0.479 48 T N 0.866 114.697 114.554 -1.205 0.000 2.962 48 T HA -0.008 4.342 4.350 -0.001 0.000 0.270 48 T C 1.271 175.637 174.700 -0.558 0.000 1.088 48 T CA 0.895 62.267 62.100 -1.213 0.000 1.127 48 T CB -1.198 66.928 68.868 -1.236 0.000 0.883 48 T HN 0.736 nan 8.240 nan 0.000 0.493 49 T N -0.934 113.353 114.554 -0.444 0.000 2.788 49 T HA 0.297 4.646 4.350 -0.001 0.000 0.287 49 T C 1.062 175.689 174.700 -0.121 0.000 1.007 49 T CA -0.625 61.347 62.100 -0.214 0.000 1.005 49 T CB 1.429 70.225 68.868 -0.121 0.000 1.012 49 T HN 0.235 nan 8.240 nan 0.000 0.530 50 K N 0.229 120.601 120.400 -0.048 0.000 2.057 50 K HA -0.128 4.191 4.320 -0.001 0.000 0.206 50 K C 2.023 178.630 176.600 0.011 0.000 1.050 50 K CA 1.523 57.806 56.287 -0.006 0.000 0.935 50 K CB -0.175 32.328 32.500 0.004 0.000 0.715 50 K HN 0.714 nan 8.250 nan 0.000 0.439 51 E N -0.211 120.006 120.200 0.029 0.000 2.077 51 E HA -0.218 4.131 4.350 -0.001 0.000 0.193 51 E C 1.714 178.342 176.600 0.046 0.000 0.989 51 E CA 1.464 57.908 56.400 0.073 0.000 0.800 51 E CB -0.453 29.341 29.700 0.158 0.000 0.746 51 E HN 0.413 nan 8.360 nan 0.000 0.452 52 Y N 1.263 121.428 120.300 -0.225 0.000 2.242 52 Y HA -0.230 4.320 4.550 -0.001 0.000 0.291 52 Y C 2.469 178.231 175.900 -0.230 0.000 1.137 52 Y CA 1.890 59.724 58.100 -0.443 0.000 1.181 52 Y CB 0.000 37.879 38.460 -0.969 0.000 0.989 52 Y HN 0.074 nan 8.280 nan 0.000 0.527 53 Q N 0.325 120.130 119.800 0.009 0.000 2.096 53 Q HA -0.245 4.094 4.340 -0.001 0.000 0.204 53 Q C 2.038 178.119 176.000 0.134 0.000 0.982 53 Q CA 2.146 58.010 55.803 0.100 0.000 0.850 53 Q CB -0.198 28.615 28.738 0.126 0.000 0.901 53 Q HN 0.606 nan 8.270 nan 0.000 0.422 54 E N 0.064 120.297 120.200 0.055 0.000 2.077 54 E HA -0.178 4.172 4.350 -0.001 0.000 0.193 54 E C 2.091 178.719 176.600 0.045 0.000 0.989 54 E CA 1.367 57.805 56.400 0.063 0.000 0.800 54 E CB -0.067 29.652 29.700 0.033 0.000 0.746 54 E HN 0.457 nan 8.360 nan 0.000 0.452 55 L N 0.875 122.068 121.223 -0.050 0.000 2.093 55 L HA -0.152 4.187 4.340 -0.001 0.000 0.208 55 L C 2.400 179.197 176.870 -0.122 0.000 1.085 55 L CA 0.850 55.640 54.840 -0.084 0.000 0.755 55 L CB -0.643 41.331 42.059 -0.143 0.000 0.904 55 L HN 0.152 nan 8.230 nan 0.000 0.435 56 N N 0.851 119.414 118.700 -0.229 0.000 2.142 56 N HA -0.185 4.554 4.740 -0.001 0.000 0.186 56 N C 1.670 177.218 175.510 0.064 0.000 1.023 56 N CA 1.553 54.496 53.050 -0.178 0.000 0.852 56 N CB -0.253 38.076 38.487 -0.263 0.000 0.998 56 N HN 0.169 nan 8.380 nan 0.000 0.424 57 F N 0.786 120.777 119.950 0.067 0.000 2.661 57 F HA 0.128 4.654 4.527 -0.001 0.000 0.298 57 F C 2.180 178.013 175.800 0.055 0.000 1.137 57 F CA 0.445 58.501 58.000 0.093 0.000 1.454 57 F CB 0.102 39.110 39.000 0.014 0.000 1.103 57 F HN 0.150 nan 8.300 nan 0.000 0.577 58 Q N -0.190 119.722 119.800 0.186 0.000 2.435 58 Q HA -0.008 4.332 4.340 -0.001 0.000 0.207 58 Q C 0.442 176.495 176.000 0.089 0.000 0.956 58 Q CA 0.173 56.042 55.803 0.110 0.000 0.917 58 Q CB 0.072 28.849 28.738 0.065 0.000 0.997 58 Q HN 0.254 nan 8.270 nan 0.000 0.497 59 R N 0.744 121.303 120.500 0.098 0.000 2.522 59 R HA -0.050 4.289 4.340 -0.001 0.000 0.284 59 R C 0.399 176.747 176.300 0.079 0.000 1.032 59 R CA 0.513 56.656 56.100 0.071 0.000 1.049 59 R CB 0.351 30.687 30.300 0.061 0.000 0.956 59 R HN 0.254 nan 8.270 nan 0.000 0.422 60 E N 1.215 121.446 120.200 0.052 0.000 2.453 60 E HA 0.075 4.425 4.350 -0.001 0.000 0.211 60 E C 0.854 177.478 176.600 0.039 0.000 0.897 60 E CA 0.363 56.793 56.400 0.050 0.000 1.063 60 E CB 0.926 30.651 29.700 0.041 0.000 1.080 60 E HN 0.692 nan 8.360 nan 0.000 0.512 61 A N 0.365 123.199 122.820 0.024 0.000 2.287 61 A HA 0.275 4.594 4.320 -0.001 0.000 0.214 61 A C 0.365 177.948 177.584 -0.000 0.000 1.228 61 A CA -0.251 51.794 52.037 0.013 0.000 0.939 61 A CB 0.455 19.458 19.000 0.004 0.000 0.992 61 A HN 0.150 nan 8.150 nan 0.000 0.502 62 L N 1.194 122.408 121.223 -0.015 0.000 2.296 62 L HA 0.638 4.978 4.340 -0.001 0.000 0.286 62 L C -1.000 175.833 176.870 -0.062 0.000 1.023 62 L CA 0.179 54.990 54.840 -0.048 0.000 0.812 62 L CB 1.885 43.896 42.059 -0.079 0.000 1.223 62 L HN 0.023 nan 8.230 nan 0.000 0.421 63 T N 4.545 119.063 114.554 -0.060 0.000 2.771 63 T HA 0.591 4.940 4.350 -0.001 0.000 0.281 63 T C -0.608 174.013 174.700 -0.132 0.000 0.982 63 T CA -0.400 61.661 62.100 -0.064 0.000 0.978 63 T CB 1.464 70.345 68.868 0.022 0.000 0.930 63 T HN 0.366 nan 8.240 nan 0.000 0.447 64 V N 4.674 124.477 119.914 -0.186 0.000 2.409 64 V HA 0.383 4.502 4.120 -0.001 0.000 0.291 64 V C -0.206 175.805 176.094 -0.138 0.000 1.020 64 V CA -1.089 61.073 62.300 -0.230 0.000 0.848 64 V CB 1.195 32.751 31.823 -0.445 0.000 0.990 64 V HN 0.989 nan 8.190 nan 0.000 0.430 65 N N 3.163 121.779 118.700 -0.139 0.000 2.681 65 N HA -0.111 4.628 4.740 -0.001 0.000 0.259 65 N C -2.293 173.132 175.510 -0.141 0.000 1.066 65 N CA 0.404 53.377 53.050 -0.129 0.000 0.717 65 N CB -0.895 37.570 38.487 -0.037 0.000 0.885 65 N HN 0.515 nan 8.380 nan 0.000 0.547 66 P HA 0.163 nan 4.420 nan 0.000 0.271 66 P C 0.095 177.446 177.300 0.085 0.000 1.218 66 P CA -0.179 62.982 63.100 0.101 0.000 0.780 66 P CB 0.906 32.726 31.700 0.199 0.000 0.901 67 A N 2.711 125.741 122.820 0.350 0.000 2.423 67 A HA 0.130 4.449 4.320 -0.001 0.000 0.246 67 A C 0.759 178.523 177.584 0.301 0.000 1.278 67 A CA 0.177 52.390 52.037 0.293 0.000 0.903 67 A CB -0.460 18.721 19.000 0.301 0.000 0.997 67 A HN 0.621 nan 8.150 nan 0.000 0.510 68 K N -1.403 119.113 120.400 0.194 0.000 2.443 68 K HA 0.865 5.185 4.320 -0.001 0.000 0.251 68 K C -0.581 176.067 176.600 0.080 0.000 0.972 68 K CA -0.509 55.853 56.287 0.125 0.000 0.833 68 K CB 1.964 34.380 32.500 -0.139 0.000 1.317 68 K HN 0.082 nan 8.250 nan 0.000 0.441 69 A N 0.620 123.558 122.820 0.197 0.000 2.387 69 A HA 0.655 4.975 4.320 -0.001 0.000 0.298 69 A C -0.076 177.584 177.584 0.128 0.000 1.165 69 A CA -0.750 51.326 52.037 0.065 0.000 0.814 69 A CB 0.565 19.507 19.000 -0.098 0.000 1.357 69 A HN 1.067 nan 8.150 nan 0.000 0.443 70 C N -1.192 118.137 119.300 0.048 0.000 2.553 70 C HA 0.398 4.857 4.460 -0.001 0.000 0.345 70 C C 1.487 176.497 174.990 0.032 0.000 1.369 70 C CA -0.177 58.867 59.018 0.042 0.000 2.447 70 C CB -0.332 27.447 27.740 0.064 0.000 2.358 70 C HN 0.918 nan 8.230 nan 0.000 0.676 71 Q N 0.753 120.547 119.800 -0.009 0.000 2.079 71 Q HA -0.067 4.272 4.340 -0.001 0.000 0.200 71 Q C -0.359 175.618 176.000 -0.037 0.000 0.974 71 Q CA 1.968 57.760 55.803 -0.020 0.000 0.840 71 Q CB -1.225 27.487 28.738 -0.043 0.000 0.898 71 Q HN 0.690 nan 8.270 nan 0.000 0.430 72 P HA -0.174 nan 4.420 nan 0.000 0.219 72 P C 1.199 178.205 177.300 -0.489 0.000 1.146 72 P CA 0.894 63.836 63.100 -0.264 0.000 0.808 72 P CB 0.008 31.585 31.700 -0.205 0.000 0.779 73 L N -0.308 120.623 121.223 -0.487 0.000 2.046 73 L HA -0.040 4.299 4.340 -0.001 0.000 0.208 73 L C 2.324 179.401 176.870 0.346 0.000 1.077 73 L CA 2.284 57.010 54.840 -0.190 0.000 0.747 73 L CB -1.560 40.493 42.059 -0.009 0.000 0.896 73 L HN -0.038 nan 8.230 nan 0.000 0.432 74 G N -1.277 107.732 108.800 0.347 0.000 2.418 74 G HA2 -0.262 3.697 3.960 -0.001 0.000 0.217 74 G HA3 -0.262 3.697 3.960 -0.001 0.000 0.217 74 G C 1.590 176.726 174.900 0.392 0.000 1.158 74 G CA 0.804 46.245 45.100 0.568 0.000 0.771 74 G HN 0.605 nan 8.290 nan 0.000 0.545 75 A N 0.031 122.938 122.820 0.145 0.000 1.898 75 A HA 0.126 4.445 4.320 -0.001 0.000 0.216 75 A C 2.605 180.208 177.584 0.033 0.000 1.181 75 A CA 1.741 53.790 52.037 0.021 0.000 0.620 75 A CB -0.607 18.388 19.000 -0.009 0.000 0.819 75 A HN 0.246 nan 8.150 nan 0.000 0.442 76 V N -0.228 119.733 119.914 0.079 0.000 2.343 76 V HA -0.226 3.894 4.120 -0.001 0.000 0.247 76 V C 2.493 178.659 176.094 0.120 0.000 1.051 76 V CA 1.939 64.314 62.300 0.125 0.000 1.036 76 V CB -0.775 31.162 31.823 0.191 0.000 0.654 76 V HN 0.576 nan 8.190 nan 0.000 0.451 77 L N -0.037 121.289 121.223 0.171 0.000 2.046 77 L HA -0.182 4.157 4.340 -0.001 0.000 0.208 77 L C 2.455 179.387 176.870 0.103 0.000 1.077 77 L CA 2.337 57.188 54.840 0.018 0.000 0.747 77 L CB -0.942 41.133 42.059 0.027 0.000 0.896 77 L HN 0.485 nan 8.230 nan 0.000 0.432 78 C N -0.666 118.664 119.300 0.051 0.000 2.446 78 C HA -0.035 4.425 4.460 -0.001 0.000 0.277 78 C C 2.982 178.015 174.990 0.071 0.000 1.275 78 C CA 0.757 59.670 59.018 -0.175 0.000 1.727 78 C CB -1.361 25.734 27.740 -1.075 0.000 2.010 78 C HN 0.665 nan 8.230 nan 0.000 0.486 79 A N -0.158 122.700 122.820 0.063 0.000 2.019 79 A HA -0.056 4.264 4.320 -0.001 0.000 0.219 79 A C 1.957 179.655 177.584 0.191 0.000 1.164 79 A CA 1.450 53.574 52.037 0.146 0.000 0.644 79 A CB -0.623 18.418 19.000 0.068 0.000 0.805 79 A HN 0.560 nan 8.150 nan 0.000 0.449 80 L N -0.151 121.126 121.223 0.091 0.000 2.201 80 L HA -0.010 4.329 4.340 -0.001 0.000 0.212 80 L C 2.510 179.361 176.870 -0.031 0.000 1.105 80 L CA 1.531 56.386 54.840 0.026 0.000 0.775 80 L CB -0.842 41.178 42.059 -0.065 0.000 0.913 80 L HN 0.375 nan 8.230 nan 0.000 0.440 81 G N -1.251 107.511 108.800 -0.063 0.000 2.448 81 G HA2 -0.228 3.731 3.960 -0.001 0.000 0.219 81 G HA3 -0.228 3.731 3.960 -0.001 0.000 0.219 81 G C 0.476 175.093 174.900 -0.473 0.000 1.127 81 G CA 0.061 44.986 45.100 -0.292 0.000 0.766 81 G HN 0.234 nan 8.290 nan 0.000 0.552 82 F N 0.571 120.490 119.950 -0.051 0.000 2.399 82 F HA 0.329 4.856 4.527 -0.001 0.000 0.342 82 F C 0.779 176.515 175.800 -0.107 0.000 1.106 82 F CA -1.284 56.666 58.000 -0.084 0.000 1.196 82 F CB 0.907 39.844 39.000 -0.105 0.000 1.163 82 F HN 0.003 nan 8.300 nan 0.000 0.547 83 E N 3.636 123.850 120.200 0.023 0.000 2.415 83 E HA -0.051 4.298 4.350 -0.001 0.000 0.263 83 E C 0.061 176.579 176.600 -0.137 0.000 0.995 83 E CA -0.218 56.150 56.400 -0.055 0.000 0.915 83 E CB 0.291 29.953 29.700 -0.062 0.000 0.951 83 E HN 0.480 nan 8.360 nan 0.000 0.449 84 K N 2.249 122.496 120.400 -0.255 0.000 3.035 84 K HA -0.147 4.172 4.320 -0.001 0.000 0.262 84 K C -0.904 175.306 176.600 -0.651 0.000 1.024 84 K CA 1.161 57.044 56.287 -0.673 0.000 0.748 84 K CB -2.062 30.187 32.500 -0.418 0.000 1.247 84 K HN 0.584 nan 8.250 nan 0.000 0.482 85 T N 1.011 115.363 114.554 -0.336 0.000 2.794 85 T HA 0.500 4.849 4.350 -0.001 0.000 0.280 85 T C 0.115 174.849 174.700 0.056 0.000 0.987 85 T CA -0.668 61.365 62.100 -0.112 0.000 0.993 85 T CB 1.416 70.300 68.868 0.026 0.000 0.939 85 T HN 0.194 nan 8.240 nan 0.000 0.449 86 M N 5.244 124.930 119.600 0.142 0.000 2.149 86 M HA 0.470 4.949 4.480 -0.001 0.000 0.342 86 M C -2.795 173.634 176.300 0.215 0.000 1.068 86 M CA -2.314 53.145 55.300 0.265 0.000 0.991 86 M CB 1.157 33.960 32.600 0.338 0.000 1.596 86 M HN 0.138 nan 8.290 nan 0.000 0.439 87 P HA 0.139 nan 4.420 nan 0.000 0.271 87 P C -2.081 175.373 177.300 0.257 0.000 1.216 87 P CA 0.222 63.434 63.100 0.187 0.000 0.776 87 P CB 0.251 32.049 31.700 0.164 0.000 0.881 88 Y N 3.341 123.708 120.300 0.112 0.000 2.373 88 Y HA 0.495 5.045 4.550 -0.001 0.000 0.336 88 Y C -1.426 174.557 175.900 0.137 0.000 0.979 88 Y CA -0.904 57.274 58.100 0.130 0.000 1.080 88 Y CB 1.406 39.944 38.460 0.130 0.000 1.190 88 Y HN 0.049 nan 8.280 nan 0.000 0.446 89 V N 6.137 126.143 119.914 0.153 0.000 2.409 89 V HA 0.223 4.342 4.120 -0.001 0.000 0.291 89 V C -0.695 175.507 176.094 0.181 0.000 1.020 89 V CA -0.828 61.611 62.300 0.233 0.000 0.848 89 V CB 1.077 33.047 31.823 0.244 0.000 0.990 89 V HN 0.825 nan 8.190 nan 0.000 0.430 90 H N 3.316 122.536 119.070 0.250 0.000 2.742 90 H HA 0.670 5.226 4.556 -0.001 0.000 0.302 90 H C 0.412 175.832 175.328 0.153 0.000 1.069 90 H CA 1.462 57.655 56.048 0.242 0.000 1.446 90 H CB 0.730 30.636 29.762 0.240 0.000 1.462 90 H HN 1.053 nan 8.280 nan 0.000 0.499 91 G N 2.258 110.936 108.800 -0.204 0.000 2.302 91 G HA2 -0.015 3.944 3.960 -0.001 0.000 0.264 91 G HA3 -0.015 3.944 3.960 -0.001 0.000 0.264 91 G C -1.109 173.751 174.900 -0.066 0.000 1.335 91 G CA -0.479 44.580 45.100 -0.069 0.000 0.982 91 G HN 0.724 nan 8.290 nan 0.000 0.473 92 S N 0.211 115.904 115.700 -0.012 0.000 2.580 92 S HA 0.371 4.840 4.470 -0.001 0.000 0.274 92 S C 1.529 176.103 174.600 -0.043 0.000 1.329 92 S CA 0.459 58.644 58.200 -0.025 0.000 1.036 92 S CB 1.554 64.752 63.200 -0.004 0.000 0.919 92 S HN 1.010 nan 8.310 nan 0.000 0.515 93 Q N 2.137 121.899 119.800 -0.064 0.000 2.224 93 Q HA -0.019 4.320 4.340 -0.001 0.000 0.203 93 Q C 1.868 177.789 176.000 -0.130 0.000 0.970 93 Q CA 1.329 57.079 55.803 -0.089 0.000 0.865 93 Q CB -0.821 27.868 28.738 -0.081 0.000 0.922 93 Q HN 0.828 nan 8.270 nan 0.000 0.445 94 G N 0.849 109.573 108.800 -0.125 0.000 2.448 94 G HA2 -0.243 3.717 3.960 -0.001 0.000 0.219 94 G HA3 -0.243 3.717 3.960 -0.001 0.000 0.219 94 G C 1.319 176.087 174.900 -0.219 0.000 1.127 94 G CA 0.902 45.892 45.100 -0.183 0.000 0.766 94 G HN 0.496 nan 8.290 nan 0.000 0.552 95 C N -0.112 119.058 119.300 -0.216 0.000 2.446 95 C HA 0.020 4.479 4.460 -0.001 0.000 0.277 95 C C 2.988 177.367 174.990 -1.019 0.000 1.275 95 C CA 0.556 59.270 59.018 -0.507 0.000 1.727 95 C CB -0.904 26.671 27.740 -0.276 0.000 2.010 95 C HN 0.292 nan 8.230 nan 0.000 0.486 96 V N 1.604 121.242 119.914 -0.460 0.000 2.515 96 V HA -0.177 3.943 4.120 -0.001 0.000 0.250 96 V C 2.713 178.711 176.094 -0.161 0.000 1.058 96 V CA 2.093 64.277 62.300 -0.193 0.000 1.064 96 V CB -1.254 30.563 31.823 -0.010 0.000 0.675 96 V HN 0.599 nan 8.190 nan 0.000 0.461 97 A N -0.947 121.736 122.820 -0.228 0.000 1.898 97 A HA -0.198 4.121 4.320 -0.001 0.000 0.216 97 A C 2.086 179.570 177.584 -0.167 0.000 1.181 97 A CA 1.684 53.599 52.037 -0.203 0.000 0.620 97 A CB -0.696 18.115 19.000 -0.313 0.000 0.819 97 A HN 0.518 nan 8.150 nan 0.000 0.442 98 Y N -0.827 119.332 120.300 -0.234 0.000 2.200 98 Y HA -0.145 4.404 4.550 -0.001 0.000 0.290 98 Y C 2.169 178.038 175.900 -0.052 0.000 1.137 98 Y CA 1.204 59.193 58.100 -0.184 0.000 1.163 98 Y CB -0.799 37.495 38.460 -0.277 0.000 0.988 98 Y HN 0.350 nan 8.280 nan 0.000 0.518 99 F N -0.220 119.847 119.950 0.195 0.000 2.134 99 F HA -0.153 4.374 4.527 -0.001 0.000 0.299 99 F C 2.292 178.244 175.800 0.252 0.000 1.097 99 F CA 1.063 59.163 58.000 0.166 0.000 1.264 99 F CB -1.218 37.911 39.000 0.215 0.000 1.001 99 F HN -0.075 nan 8.300 nan 0.000 0.479 100 R N 0.045 120.777 120.500 0.386 0.000 2.081 100 R HA -0.109 4.231 4.340 -0.001 0.000 0.235 100 R C 2.336 178.808 176.300 0.286 0.000 1.131 100 R CA 1.653 57.953 56.100 0.334 0.000 0.960 100 R CB -0.824 29.593 30.300 0.195 0.000 0.856 100 R HN 0.177 nan 8.270 nan 0.000 0.436 101 S N 0.193 116.017 115.700 0.206 0.000 2.368 101 S HA -0.163 4.306 4.470 -0.001 0.000 0.225 101 S C 1.643 176.361 174.600 0.197 0.000 1.030 101 S CA 1.045 59.337 58.200 0.153 0.000 0.999 101 S CB -0.383 62.880 63.200 0.104 0.000 0.844 101 S HN 0.307 nan 8.310 nan 0.000 0.459 102 Y N 1.145 121.512 120.300 0.112 0.000 2.181 102 Y HA -0.123 4.427 4.550 -0.001 0.000 0.288 102 Y C 1.891 177.938 175.900 0.245 0.000 1.146 102 Y CA 1.038 59.205 58.100 0.111 0.000 1.164 102 Y CB -0.470 38.017 38.460 0.044 0.000 0.982 102 Y HN 0.170 nan 8.280 nan 0.000 0.515 103 F N 0.199 120.448 119.950 0.498 0.000 2.186 103 F HA -0.194 4.333 4.527 -0.001 0.000 0.299 103 F C 2.234 178.259 175.800 0.374 0.000 1.090 103 F CA 1.173 59.464 58.000 0.484 0.000 1.307 103 F CB -1.034 38.273 39.000 0.513 0.000 1.019 103 F HN 0.082 nan 8.300 nan 0.000 0.489 104 N N 0.358 119.302 118.700 0.408 0.000 2.120 104 N HA -0.152 4.588 4.740 -0.001 0.000 0.188 104 N C 1.980 177.558 175.510 0.113 0.000 1.024 104 N CA 1.161 54.347 53.050 0.227 0.000 0.852 104 N CB -0.336 38.224 38.487 0.121 0.000 1.003 104 N HN 0.289 nan 8.380 nan 0.000 0.424 105 R N -0.529 119.991 120.500 0.033 0.000 2.075 105 R HA -0.099 4.240 4.340 -0.001 0.000 0.232 105 R C 2.077 178.433 176.300 0.093 0.000 1.126 105 R CA 1.219 57.251 56.100 -0.114 0.000 0.963 105 R CB -0.493 29.439 30.300 -0.614 0.000 0.858 105 R HN 0.433 nan 8.270 nan 0.000 0.435 106 H N -0.054 119.133 119.070 0.195 0.000 2.326 106 H HA -0.070 4.485 4.556 -0.001 0.000 0.301 106 H C 1.285 176.397 175.328 -0.360 0.000 1.081 106 H CA 1.665 57.683 56.048 -0.050 0.000 1.334 106 H CB 0.004 29.656 29.762 -0.182 0.000 1.385 106 H HN 0.068 nan 8.280 nan 0.000 0.504 107 F N 0.125 119.989 119.950 -0.142 0.000 2.743 107 F HA 0.251 4.778 4.527 -0.001 0.000 0.297 107 F C 1.012 176.553 175.800 -0.433 0.000 1.131 107 F CA 0.484 58.177 58.000 -0.511 0.000 1.426 107 F CB 0.085 39.011 39.000 -0.123 0.000 1.116 107 F HN 0.016 nan 8.300 nan 0.000 0.583 108 R N 0.907 121.357 120.500 -0.083 0.000 3.516 108 R HA -0.181 4.159 4.340 -0.001 0.000 0.271 108 R C -0.780 175.542 176.300 0.035 0.000 1.098 108 R CA 0.578 56.639 56.100 -0.065 0.000 0.732 108 R CB -1.781 28.421 30.300 -0.163 0.000 1.152 108 R HN 0.259 nan 8.270 nan 0.000 0.455 109 E N -0.132 120.121 120.200 0.089 0.000 2.393 109 E HA 0.384 4.733 4.350 -0.001 0.000 0.273 109 E C -2.470 174.185 176.600 0.091 0.000 0.918 109 E CA -2.090 54.367 56.400 0.094 0.000 0.773 109 E CB 2.079 31.837 29.700 0.097 0.000 1.275 109 E HN -0.116 nan 8.360 nan 0.000 0.451 110 P HA 0.142 nan 4.420 nan 0.000 0.271 110 P C -0.457 176.902 177.300 0.099 0.000 1.218 110 P CA -0.250 62.887 63.100 0.062 0.000 0.780 110 P CB 0.711 32.424 31.700 0.022 0.000 0.901 111 V N 2.371 122.353 119.914 0.114 0.000 2.444 111 V HA 0.216 4.335 4.120 -0.001 0.000 0.294 111 V C 0.158 176.319 176.094 0.111 0.000 1.022 111 V CA -0.385 61.996 62.300 0.135 0.000 0.850 111 V CB 1.691 33.663 31.823 0.247 0.000 0.992 111 V HN 0.480 nan 8.190 nan 0.000 0.426 112 S N 3.484 119.234 115.700 0.085 0.000 2.438 112 S HA 0.610 5.080 4.470 -0.001 0.000 0.293 112 S C -0.461 174.178 174.600 0.066 0.000 1.141 112 S CA -0.413 57.809 58.200 0.036 0.000 1.080 112 S CB 1.095 64.285 63.200 -0.016 0.000 0.978 112 S HN 0.861 nan 8.310 nan 0.000 0.479 113 C N 3.775 123.101 119.300 0.044 0.000 3.082 113 C HA 0.823 5.282 4.460 -0.001 0.000 0.324 113 C C -0.822 174.178 174.990 0.017 0.000 1.210 113 C CA -0.428 58.644 59.018 0.089 0.000 1.366 113 C CB 0.714 28.569 27.740 0.192 0.000 1.756 113 C HN 0.837 nan 8.230 nan 0.000 0.485 114 V N 2.118 122.035 119.914 0.004 0.000 3.040 114 V HA 0.974 5.093 4.120 -0.001 0.000 0.312 114 V C -0.503 175.450 176.094 -0.234 0.000 1.115 114 V CA -0.212 62.035 62.300 -0.088 0.000 0.998 114 V CB 1.712 33.503 31.823 -0.054 0.000 1.042 114 V HN 1.064 nan 8.190 nan 0.000 0.433 115 S N 0.500 116.046 115.700 -0.257 0.000 2.568 115 S HA 0.562 5.031 4.470 -0.001 0.000 0.293 115 S C 0.074 174.468 174.600 -0.343 0.000 1.089 115 S CA 0.089 58.101 58.200 -0.313 0.000 0.945 115 S CB 1.964 65.079 63.200 -0.143 0.000 1.077 115 S HN 1.073 nan 8.310 nan 0.000 0.485 116 D N 1.108 121.311 120.400 -0.329 0.000 2.340 116 D HA 0.117 4.757 4.640 -0.001 0.000 0.220 116 D C 0.366 176.610 176.300 -0.093 0.000 1.039 116 D CA 0.390 54.306 54.000 -0.140 0.000 0.866 116 D CB -0.443 40.382 40.800 0.042 0.000 0.913 116 D HN 0.505 nan 8.370 nan 0.000 0.523 117 S N -0.570 115.065 115.700 -0.109 0.000 3.711 117 S HA -0.242 4.227 4.470 -0.001 0.000 0.374 117 S C 0.220 174.787 174.600 -0.055 0.000 0.969 117 S CA 0.143 58.300 58.200 -0.071 0.000 1.198 117 S CB -2.210 60.962 63.200 -0.047 0.000 0.903 117 S HN 0.470 nan 8.310 nan 0.000 0.493 118 M N 1.929 121.484 119.600 -0.076 0.000 2.238 118 M HA 0.130 4.610 4.480 -0.001 0.000 0.350 118 M C 1.146 177.438 176.300 -0.014 0.000 1.321 118 M CA 0.562 55.837 55.300 -0.043 0.000 1.097 118 M CB 0.243 32.805 32.600 -0.064 0.000 1.713 118 M HN 0.473 nan 8.290 nan 0.000 0.455 119 T N -0.685 113.873 114.554 0.007 0.000 2.893 119 T HA 0.206 4.555 4.350 -0.001 0.000 0.279 119 T C 0.900 175.601 174.700 0.000 0.000 0.991 119 T CA -0.950 61.154 62.100 0.008 0.000 0.950 119 T CB 1.170 70.050 68.868 0.019 0.000 1.223 119 T HN 0.734 nan 8.240 nan 0.000 0.585 120 E N 0.704 120.897 120.200 -0.011 0.000 2.085 120 E HA -0.233 4.117 4.350 -0.001 0.000 0.194 120 E C 1.497 178.047 176.600 -0.082 0.000 0.994 120 E CA 1.982 58.359 56.400 -0.037 0.000 0.801 120 E CB -0.273 29.409 29.700 -0.030 0.000 0.743 120 E HN 0.800 nan 8.360 nan 0.000 0.453 121 D N 0.138 120.506 120.400 -0.054 0.000 2.144 121 D HA -0.147 4.492 4.640 -0.001 0.000 0.200 121 D C 1.836 178.043 176.300 -0.155 0.000 0.978 121 D CA 1.222 55.154 54.000 -0.113 0.000 0.833 121 D CB -0.326 40.569 40.800 0.159 0.000 0.961 121 D HN 0.253 nan 8.370 nan 0.000 0.470 122 A N 0.654 123.499 122.820 0.042 0.000 2.015 122 A HA 0.197 4.517 4.320 -0.001 0.000 0.219 122 A C 2.345 179.944 177.584 0.024 0.000 1.163 122 A CA 1.528 53.635 52.037 0.117 0.000 0.646 122 A CB -0.829 18.224 19.000 0.089 0.000 0.806 122 A HN 0.336 nan 8.150 nan 0.000 0.448 123 A N -0.011 122.776 122.820 -0.055 0.000 1.898 123 A HA 0.030 4.349 4.320 -0.001 0.000 0.216 123 A C 2.378 179.894 177.584 -0.112 0.000 1.181 123 A CA 1.994 54.002 52.037 -0.048 0.000 0.620 123 A CB -1.173 17.797 19.000 -0.050 0.000 0.819 123 A HN 1.163 nan 8.150 nan 0.000 0.442 124 V N -2.263 117.470 119.914 -0.302 0.000 2.270 124 V HA -0.183 3.936 4.120 -0.001 0.000 0.245 124 V C 2.225 178.165 176.094 -0.257 0.000 1.043 124 V CA 2.246 64.332 62.300 -0.357 0.000 1.014 124 V CB -1.250 30.248 31.823 -0.541 0.000 0.645 124 V HN 0.371 nan 8.190 nan 0.000 0.447 125 F N 2.434 122.406 119.950 0.037 0.000 2.146 125 F HA 0.533 5.060 4.527 -0.001 0.000 0.298 125 F C 1.587 177.421 175.800 0.056 0.000 1.096 125 F CA 0.837 58.857 58.000 0.033 0.000 1.275 125 F CB -1.326 37.680 39.000 0.009 0.000 1.008 125 F HN 0.695 nan 8.300 nan 0.000 0.480 126 G N -1.404 107.553 108.800 0.262 0.000 2.354 126 G HA2 0.275 4.234 3.960 -0.001 0.000 0.582 126 G HA3 0.275 4.234 3.960 -0.001 0.000 0.582 126 G C 0.359 175.421 174.900 0.271 0.000 1.316 126 G CA -0.601 44.665 45.100 0.277 0.000 0.995 126 G HN 0.455 nan 8.290 nan 0.000 0.573 127 G N -0.911 108.167 108.800 0.463 0.000 3.233 127 G HA2 0.324 4.284 3.960 -0.001 0.000 0.227 127 G HA3 0.324 4.284 3.960 -0.001 0.000 0.227 127 G C 1.155 176.131 174.900 0.126 0.000 1.175 127 G CA 1.357 46.762 45.100 0.509 0.000 0.781 127 G HN 0.735 nan 8.290 nan 0.000 0.542 128 Q N 0.211 119.675 119.800 -0.561 0.000 2.084 128 Q HA -0.130 4.209 4.340 -0.001 0.000 0.202 128 Q C 2.477 178.243 176.000 -0.390 0.000 0.978 128 Q CA 1.714 56.982 55.803 -0.891 0.000 0.844 128 Q CB -0.154 28.075 28.738 -0.848 0.000 0.898 128 Q HN 0.417 nan 8.270 nan 0.000 0.426 129 Q N 0.111 119.771 119.800 -0.233 0.000 2.079 129 Q HA -0.055 4.284 4.340 -0.001 0.000 0.200 129 Q C 1.563 177.474 176.000 -0.148 0.000 0.974 129 Q CA 1.971 57.655 55.803 -0.198 0.000 0.840 129 Q CB -0.178 28.483 28.738 -0.130 0.000 0.898 129 Q HN 0.574 nan 8.270 nan 0.000 0.430 130 N N -0.524 118.149 118.700 -0.045 0.000 2.120 130 N HA -0.191 4.549 4.740 -0.001 0.000 0.188 130 N C 1.659 177.222 175.510 0.088 0.000 1.024 130 N CA 1.527 54.587 53.050 0.017 0.000 0.852 130 N CB -0.214 38.284 38.487 0.018 0.000 1.003 130 N HN 0.277 nan 8.380 nan 0.000 0.424 131 M N 1.887 121.570 119.600 0.137 0.000 2.132 131 M HA -0.063 4.416 4.480 -0.001 0.000 0.263 131 M C 1.758 178.032 176.300 -0.044 0.000 1.065 131 M CA 1.602 57.017 55.300 0.192 0.000 1.122 131 M CB -0.040 32.699 32.600 0.232 0.000 1.365 131 M HN -0.109 nan 8.290 nan 0.000 0.411 132 K N -0.158 120.072 120.400 -0.284 0.000 2.025 132 K HA -0.123 4.196 4.320 -0.001 0.000 0.207 132 K C 1.726 178.036 176.600 -0.483 0.000 1.049 132 K CA 1.579 57.482 56.287 -0.640 0.000 0.933 132 K CB -0.314 31.324 32.500 -1.437 0.000 0.714 132 K HN 0.363 nan 8.250 nan 0.000 0.438 133 D N 0.068 120.276 120.400 -0.319 0.000 2.117 133 D HA -0.094 4.545 4.640 -0.001 0.000 0.198 133 D C 2.022 178.355 176.300 0.055 0.000 0.982 133 D CA 1.347 55.310 54.000 -0.062 0.000 0.828 133 D CB -0.443 40.340 40.800 -0.028 0.000 0.967 133 D HN 0.336 nan 8.370 nan 0.000 0.464 134 G N 1.021 109.881 108.800 0.099 0.000 2.440 134 G HA2 -0.207 3.752 3.960 -0.001 0.000 0.218 134 G HA3 -0.207 3.752 3.960 -0.001 0.000 0.218 134 G C 1.832 176.939 174.900 0.345 0.000 1.154 134 G CA 0.314 45.567 45.100 0.256 0.000 0.767 134 G HN 0.231 nan 8.290 nan 0.000 0.552 135 L N -0.218 121.119 121.223 0.189 0.000 2.056 135 L HA -0.084 4.255 4.340 -0.001 0.000 0.207 135 L C 2.996 179.901 176.870 0.058 0.000 1.078 135 L CA 1.550 56.425 54.840 0.058 0.000 0.749 135 L CB -0.398 41.620 42.059 -0.068 0.000 0.901 135 L HN 0.344 nan 8.230 nan 0.000 0.433 136 Q N 0.055 119.908 119.800 0.089 0.000 2.079 136 Q HA -0.197 4.143 4.340 -0.001 0.000 0.200 136 Q C 1.959 178.001 176.000 0.070 0.000 0.974 136 Q CA 1.534 57.398 55.803 0.101 0.000 0.840 136 Q CB 0.130 29.021 28.738 0.255 0.000 0.898 136 Q HN 0.449 nan 8.270 nan 0.000 0.430 137 N N 0.295 119.053 118.700 0.097 0.000 2.142 137 N HA -0.153 4.586 4.740 -0.001 0.000 0.186 137 N C 1.903 177.457 175.510 0.073 0.000 1.023 137 N CA 1.267 54.360 53.050 0.072 0.000 0.852 137 N CB -0.890 37.647 38.487 0.083 0.000 0.998 137 N HN 0.352 nan 8.380 nan 0.000 0.424 138 C N 1.602 121.000 119.300 0.164 0.000 2.429 138 C HA -0.016 4.444 4.460 -0.001 0.000 0.277 138 C C 2.609 177.711 174.990 0.187 0.000 1.262 138 C CA 0.834 60.011 59.018 0.265 0.000 1.733 138 C CB -0.807 27.172 27.740 0.397 0.000 2.010 138 C HN 0.396 nan 8.230 nan 0.000 0.483 139 K N 0.318 120.764 120.400 0.076 0.000 2.057 139 K HA -0.066 4.253 4.320 -0.001 0.000 0.206 139 K C 2.221 178.812 176.600 -0.016 0.000 1.050 139 K CA 1.519 57.794 56.287 -0.019 0.000 0.935 139 K CB -0.360 31.974 32.500 -0.277 0.000 0.715 139 K HN 0.531 nan 8.250 nan 0.000 0.439 140 A N 0.576 123.374 122.820 -0.036 0.000 1.877 140 A HA -0.129 4.190 4.320 -0.001 0.000 0.216 140 A C 2.167 179.699 177.584 -0.086 0.000 1.186 140 A CA 2.196 54.204 52.037 -0.048 0.000 0.620 140 A CB -0.993 17.982 19.000 -0.042 0.000 0.822 140 A HN 0.433 nan 8.150 nan 0.000 0.443 141 T N -1.340 113.112 114.554 -0.170 0.000 2.777 141 T HA -0.098 4.251 4.350 -0.001 0.000 0.266 141 T C 1.431 175.808 174.700 -0.538 0.000 1.040 141 T CA 1.749 63.602 62.100 -0.411 0.000 1.141 141 T CB -0.371 68.090 68.868 -0.679 0.000 0.868 141 T HN 0.567 nan 8.240 nan 0.000 0.444 142 Y N 0.587 120.954 120.300 0.113 0.000 2.449 142 Y HA 0.334 4.884 4.550 -0.001 0.000 0.254 142 Y C 0.844 176.883 175.900 0.232 0.000 1.140 142 Y CA -0.706 57.485 58.100 0.152 0.000 1.272 142 Y CB 0.133 38.699 38.460 0.178 0.000 1.114 142 Y HN -0.077 nan 8.280 nan 0.000 0.525 143 K N -0.591 119.956 120.400 0.245 0.000 3.035 143 K HA -0.176 4.144 4.320 -0.001 0.000 0.262 143 K C -2.752 174.028 176.600 0.298 0.000 1.024 143 K CA 0.478 56.905 56.287 0.234 0.000 0.748 143 K CB -2.086 30.526 32.500 0.187 0.000 1.247 143 K HN 0.362 nan 8.250 nan 0.000 0.482 144 P HA 0.106 nan 4.420 nan 0.000 0.275 144 P C 0.348 177.753 177.300 0.174 0.000 1.227 144 P CA -0.033 63.151 63.100 0.141 0.000 0.781 144 P CB 0.779 32.645 31.700 0.276 0.000 0.906 145 D N 1.393 121.754 120.400 -0.065 0.000 2.117 145 D HA -0.018 4.621 4.640 -0.001 0.000 0.198 145 D C 0.941 177.042 176.300 -0.330 0.000 0.982 145 D CA 1.660 55.615 54.000 -0.076 0.000 0.828 145 D CB 0.025 40.744 40.800 -0.135 0.000 0.967 145 D HN 0.398 nan 8.370 nan 0.000 0.464 146 M N 0.094 119.536 119.600 -0.265 0.000 2.530 146 M HA 0.438 4.917 4.480 -0.001 0.000 0.307 146 M C -1.758 174.504 176.300 -0.064 0.000 1.161 146 M CA -0.534 54.554 55.300 -0.354 0.000 0.903 146 M CB 2.475 34.925 32.600 -0.249 0.000 1.711 146 M HN -0.283 nan 8.290 nan 0.000 0.451 147 I N 3.531 124.103 120.570 0.003 0.000 2.418 147 I HA 0.572 4.741 4.170 -0.001 0.000 0.287 147 I C -0.676 175.426 176.117 -0.024 0.000 1.008 147 I CA -0.776 60.597 61.300 0.121 0.000 1.104 147 I CB 1.969 40.121 38.000 0.254 0.000 1.264 147 I HN 0.840 nan 8.210 nan 0.000 0.438 148 A N 7.035 129.856 122.820 0.001 0.000 2.273 148 A HA 0.674 4.994 4.320 -0.001 0.000 0.315 148 A C -0.505 177.096 177.584 0.028 0.000 1.256 148 A CA -0.476 51.517 52.037 -0.073 0.000 0.851 148 A CB 0.833 19.755 19.000 -0.129 0.000 1.172 148 A HN 0.441 nan 8.150 nan 0.000 0.508 149 V N 2.863 122.779 119.914 0.004 0.000 2.546 149 V HA 0.523 4.642 4.120 -0.001 0.000 0.284 149 V C 0.418 176.560 176.094 0.079 0.000 1.050 149 V CA 0.015 62.373 62.300 0.096 0.000 0.981 149 V CB 0.990 32.831 31.823 0.030 0.000 0.990 149 V HN 0.985 nan 8.190 nan 0.000 0.474 150 S N 2.415 118.198 115.700 0.139 0.000 2.667 150 S HA 0.876 5.345 4.470 -0.001 0.000 0.292 150 S C -0.340 174.347 174.600 0.145 0.000 1.126 150 S CA -0.880 57.370 58.200 0.085 0.000 0.881 150 S CB 2.249 65.493 63.200 0.072 0.000 1.132 150 S HN 0.895 nan 8.310 nan 0.000 0.492 151 T N -1.192 113.427 114.554 0.108 0.000 2.900 151 T HA 0.725 5.075 4.350 -0.001 0.000 0.295 151 T C -0.165 174.629 174.700 0.157 0.000 1.044 151 T CA -0.832 61.367 62.100 0.165 0.000 0.995 151 T CB 1.210 70.153 68.868 0.124 0.000 1.072 151 T HN 0.784 nan 8.240 nan 0.000 0.473 152 T N -1.148 113.519 114.554 0.188 0.000 2.899 152 T HA 0.254 4.603 4.350 -0.001 0.000 0.284 152 T C 2.015 176.806 174.700 0.152 0.000 1.004 152 T CA -0.342 61.864 62.100 0.177 0.000 1.043 152 T CB 0.321 69.289 68.868 0.166 0.000 1.013 152 T HN 1.135 nan 8.240 nan 0.000 0.518 153 C N 2.050 121.437 119.300 0.146 0.000 2.403 153 C HA -0.117 4.342 4.460 -0.001 0.000 0.282 153 C C 2.543 177.678 174.990 0.242 0.000 1.297 153 C CA 0.775 59.918 59.018 0.209 0.000 1.785 153 C CB -1.834 26.078 27.740 0.288 0.000 1.963 153 C HN 0.911 nan 8.230 nan 0.000 0.507 154 M N 2.096 121.799 119.600 0.171 0.000 2.132 154 M HA -0.034 4.445 4.480 -0.001 0.000 0.263 154 M C 2.559 178.956 176.300 0.161 0.000 1.065 154 M CA 2.217 57.602 55.300 0.140 0.000 1.122 154 M CB -0.510 32.146 32.600 0.093 0.000 1.365 154 M HN 0.475 nan 8.290 nan 0.000 0.411 155 A N 0.519 123.447 122.820 0.181 0.000 1.902 155 A HA -0.160 4.159 4.320 -0.001 0.000 0.217 155 A C 1.879 179.594 177.584 0.217 0.000 1.181 155 A CA 1.689 53.865 52.037 0.231 0.000 0.623 155 A CB -0.710 18.490 19.000 0.332 0.000 0.818 155 A HN 0.574 nan 8.150 nan 0.000 0.443 156 E N -0.145 120.189 120.200 0.223 0.000 2.077 156 E HA -0.115 4.235 4.350 -0.001 0.000 0.193 156 E C 2.231 178.997 176.600 0.278 0.000 0.989 156 E CA 1.327 57.873 56.400 0.244 0.000 0.800 156 E CB -0.627 29.189 29.700 0.193 0.000 0.746 156 E HN 0.379 nan 8.360 nan 0.000 0.452 157 V N 2.446 122.533 119.914 0.287 0.000 2.358 157 V HA -0.217 3.903 4.120 -0.001 0.000 0.246 157 V C 2.528 178.690 176.094 0.114 0.000 1.047 157 V CA 1.690 64.097 62.300 0.179 0.000 1.035 157 V CB -0.655 31.234 31.823 0.109 0.000 0.658 157 V HN 0.348 nan 8.190 nan 0.000 0.452 158 I N -0.634 120.007 120.570 0.117 0.000 2.614 158 I HA 0.170 4.339 4.170 -0.001 0.000 0.258 158 I C 1.483 177.659 176.117 0.098 0.000 1.189 158 I CA 1.221 62.579 61.300 0.096 0.000 1.462 158 I CB -0.715 37.348 38.000 0.106 0.000 1.092 158 I HN 0.423 nan 8.210 nan 0.000 0.442 159 G N 1.778 110.642 108.800 0.107 0.000 2.171 159 G HA2 -0.212 3.747 3.960 -0.001 0.000 0.238 159 G HA3 -0.212 3.747 3.960 -0.001 0.000 0.238 159 G C -0.457 174.458 174.900 0.025 0.000 1.039 159 G CA 0.108 45.248 45.100 0.068 0.000 0.759 159 G HN 0.520 nan 8.290 nan 0.000 0.501 160 D N 0.593 121.006 120.400 0.022 0.000 2.455 160 D HA 0.317 4.957 4.640 -0.001 0.000 0.241 160 D C 0.214 176.216 176.300 -0.497 0.000 1.138 160 D CA 0.247 54.111 54.000 -0.226 0.000 0.877 160 D CB 1.010 41.707 40.800 -0.173 0.000 1.187 160 D HN 0.225 nan 8.370 nan 0.000 0.451 161 D N 2.421 122.280 120.400 -0.902 0.000 2.313 161 D HA 0.082 4.721 4.640 -0.001 0.000 0.239 161 D C 1.121 176.832 176.300 -0.981 0.000 1.142 161 D CA -0.353 53.286 54.000 -0.601 0.000 0.847 161 D CB 0.919 41.515 40.800 -0.339 0.000 1.082 161 D HN 0.266 nan 8.370 nan 0.000 0.480 162 L N 3.787 124.641 121.223 -0.616 0.000 2.056 162 L HA -0.132 4.207 4.340 -0.001 0.000 0.207 162 L C 2.127 178.515 176.870 -0.805 0.000 1.078 162 L CA 0.857 55.255 54.840 -0.736 0.000 0.749 162 L CB -0.337 41.294 42.059 -0.714 0.000 0.901 162 L HN 0.449 nan 8.230 nan 0.000 0.433 163 N N -0.026 118.151 118.700 -0.871 0.000 2.142 163 N HA -0.168 4.572 4.740 -0.001 0.000 0.186 163 N C 1.807 177.117 175.510 -0.333 0.000 1.023 163 N CA 1.366 53.934 53.050 -0.804 0.000 0.852 163 N CB -0.002 38.235 38.487 -0.417 0.000 0.998 163 N HN 0.273 nan 8.380 nan 0.000 0.424 164 A N -0.279 122.424 122.820 -0.195 0.000 1.898 164 A HA -0.023 4.296 4.320 -0.001 0.000 0.216 164 A C 1.801 179.474 177.584 0.148 0.000 1.181 164 A CA 0.936 52.973 52.037 0.001 0.000 0.620 164 A CB -0.910 18.133 19.000 0.072 0.000 0.819 164 A HN 0.349 nan 8.150 nan 0.000 0.442 165 F N 0.007 119.847 119.950 -0.183 0.000 2.134 165 F HA -0.076 4.450 4.527 -0.001 0.000 0.299 165 F C 2.183 177.882 175.800 -0.168 0.000 1.097 165 F CA 0.444 58.345 58.000 -0.165 0.000 1.264 165 F CB -0.934 37.943 39.000 -0.204 0.000 1.001 165 F HN 0.117 nan 8.300 nan 0.000 0.479 166 I N -0.169 120.387 120.570 -0.023 0.000 2.252 166 I HA -0.296 3.873 4.170 -0.001 0.000 0.245 166 I C 2.127 178.230 176.117 -0.024 0.000 1.102 166 I CA 0.961 62.219 61.300 -0.071 0.000 1.385 166 I CB -0.405 37.496 38.000 -0.166 0.000 1.064 166 I HN 0.077 nan 8.210 nan 0.000 0.414 167 N N 1.035 119.715 118.700 -0.032 0.000 2.142 167 N HA -0.148 4.591 4.740 -0.001 0.000 0.186 167 N C 1.479 177.002 175.510 0.021 0.000 1.023 167 N CA 1.420 54.468 53.050 -0.002 0.000 0.852 167 N CB -0.625 37.854 38.487 -0.014 0.000 0.998 167 N HN 0.467 nan 8.380 nan 0.000 0.424 168 N N 0.063 118.777 118.700 0.024 0.000 2.309 168 N HA -0.011 4.729 4.740 -0.001 0.000 0.182 168 N C 1.541 177.081 175.510 0.050 0.000 1.018 168 N CA 0.662 53.728 53.050 0.027 0.000 0.876 168 N CB 0.073 38.561 38.487 0.002 0.000 0.972 168 N HN 0.087 nan 8.380 nan 0.000 0.434 169 S N 0.936 116.654 115.700 0.031 0.000 2.368 169 S HA -0.051 4.418 4.470 -0.001 0.000 0.224 169 S C 1.687 176.387 174.600 0.167 0.000 1.029 169 S CA 0.972 59.215 58.200 0.072 0.000 0.988 169 S CB -0.012 63.179 63.200 -0.016 0.000 0.838 169 S HN 0.291 nan 8.310 nan 0.000 0.462 170 K N 1.268 121.726 120.400 0.096 0.000 2.057 170 K HA -0.060 4.259 4.320 -0.001 0.000 0.206 170 K C 2.285 178.928 176.600 0.071 0.000 1.050 170 K CA 0.999 57.338 56.287 0.085 0.000 0.935 170 K CB -0.145 32.396 32.500 0.068 0.000 0.715 170 K HN 0.232 nan 8.250 nan 0.000 0.439 171 K N 1.682 122.119 120.400 0.062 0.000 2.057 171 K HA -0.191 4.128 4.320 -0.001 0.000 0.207 171 K C 1.626 178.256 176.600 0.051 0.000 1.049 171 K CA 1.603 57.916 56.287 0.045 0.000 0.931 171 K CB 0.072 32.594 32.500 0.036 0.000 0.714 171 K HN 0.101 nan 8.250 nan 0.000 0.440 172 E N -1.114 119.145 120.200 0.099 0.000 2.427 172 E HA -0.030 4.319 4.350 -0.001 0.000 0.196 172 E C 0.544 177.150 176.600 0.009 0.000 1.028 172 E CA 0.505 56.969 56.400 0.107 0.000 0.864 172 E CB 0.178 30.033 29.700 0.258 0.000 0.813 172 E HN 0.675 nan 8.360 nan 0.000 0.514 173 G N -0.020 108.794 108.800 0.024 0.000 2.141 173 G HA2 -0.281 3.679 3.960 -0.001 0.000 0.231 173 G HA3 -0.281 3.679 3.960 -0.001 0.000 0.231 173 G C 0.488 175.294 174.900 -0.156 0.000 0.984 173 G CA 0.163 45.215 45.100 -0.078 0.000 0.660 173 G HN 0.279 nan 8.290 nan 0.000 0.525 174 F N 0.654 120.584 119.950 -0.033 0.000 2.146 174 F HA 0.284 4.811 4.527 -0.001 0.000 0.298 174 F C 1.861 177.623 175.800 -0.063 0.000 1.096 174 F CA 1.845 59.820 58.000 -0.042 0.000 1.275 174 F CB 0.052 39.030 39.000 -0.036 0.000 1.008 174 F HN 0.493 nan 8.300 nan 0.000 0.480 175 I N -3.889 116.746 120.570 0.108 0.000 2.934 175 I HA 0.547 4.717 4.170 -0.001 0.000 0.306 175 I C -2.904 173.223 176.117 0.017 0.000 1.110 175 I CA -2.658 58.633 61.300 -0.014 0.000 1.019 175 I CB 1.791 39.743 38.000 -0.079 0.000 1.227 175 I HN -0.374 nan 8.210 nan 0.000 0.434 176 P HA 0.073 nan 4.420 nan 0.000 0.270 176 P C -0.131 177.238 177.300 0.115 0.000 1.223 176 P CA -0.009 63.135 63.100 0.072 0.000 0.785 176 P CB 0.579 32.344 31.700 0.107 0.000 0.923 177 D N 1.021 121.472 120.400 0.085 0.000 2.117 177 D HA -0.149 4.490 4.640 -0.001 0.000 0.198 177 D C 1.290 177.648 176.300 0.095 0.000 0.982 177 D CA 1.293 55.338 54.000 0.075 0.000 0.828 177 D CB 0.187 41.012 40.800 0.042 0.000 0.967 177 D HN 0.442 nan 8.370 nan 0.000 0.464 178 E N -0.283 119.977 120.200 0.100 0.000 2.204 178 E HA -0.131 4.218 4.350 -0.001 0.000 0.194 178 E C 0.637 177.321 176.600 0.140 0.000 0.989 178 E CA -0.118 56.339 56.400 0.096 0.000 0.824 178 E CB -0.109 29.638 29.700 0.078 0.000 0.756 178 E HN 0.219 nan 8.360 nan 0.000 0.477 179 F N 3.721 123.699 119.950 0.047 0.000 2.571 179 F HA 0.027 4.553 4.527 -0.001 0.000 0.384 179 F C -1.914 173.919 175.800 0.057 0.000 1.058 179 F CA -2.358 55.670 58.000 0.047 0.000 1.200 179 F CB 0.523 39.542 39.000 0.033 0.000 1.077 179 F HN -0.156 nan 8.300 nan 0.000 0.558 180 P HA 0.034 nan 4.420 nan 0.000 0.267 180 P C -0.926 176.130 177.300 -0.406 0.000 1.209 180 P CA 0.088 62.984 63.100 -0.339 0.000 0.763 180 P CB 1.269 32.779 31.700 -0.318 0.000 0.816 181 V N 5.515 125.190 119.914 -0.398 0.000 2.546 181 V HA 0.189 4.308 4.120 -0.001 0.000 0.260 181 V C -2.033 173.815 176.094 -0.410 0.000 0.933 181 V CA -1.560 60.586 62.300 -0.256 0.000 0.994 181 V CB 1.100 32.944 31.823 0.034 0.000 1.160 181 V HN 0.537 nan 8.190 nan 0.000 0.523 182 P HA 0.351 nan 4.420 nan 0.000 0.271 182 P C -0.894 176.253 177.300 -0.254 0.000 1.218 182 P CA 0.153 62.844 63.100 -0.682 0.000 0.780 182 P CB 1.023 32.240 31.700 -0.805 0.000 0.901 183 F N -0.609 119.203 119.950 -0.230 0.000 2.601 183 F HA 0.828 5.355 4.527 -0.001 0.000 0.309 183 F C -1.605 174.087 175.800 -0.179 0.000 1.089 183 F CA -1.649 56.232 58.000 -0.198 0.000 0.940 183 F CB 1.327 40.209 39.000 -0.197 0.000 1.273 183 F HN 0.466 nan 8.300 nan 0.000 0.450 184 A N 2.037 124.745 122.820 -0.187 0.000 2.427 184 A HA 0.535 4.854 4.320 -0.001 0.000 0.298 184 A C -1.539 176.004 177.584 -0.068 0.000 1.036 184 A CA -0.673 51.255 52.037 -0.180 0.000 0.701 184 A CB 0.765 19.656 19.000 -0.182 0.000 1.250 184 A HN 0.920 nan 8.150 nan 0.000 0.412 185 H N 1.879 120.962 119.070 0.022 0.000 2.722 185 H HA 0.320 4.875 4.556 -0.001 0.000 0.328 185 H C 0.095 175.412 175.328 -0.019 0.000 1.067 185 H CA 1.463 57.524 56.048 0.022 0.000 1.447 185 H CB 1.018 30.789 29.762 0.015 0.000 1.469 185 H HN 0.669 nan 8.280 nan 0.000 0.544 186 T N 1.552 116.141 114.554 0.058 0.000 3.410 186 T HA 0.200 4.549 4.350 -0.001 0.000 0.328 186 T C -2.818 171.832 174.700 -0.084 0.000 1.567 186 T CA -1.893 60.204 62.100 -0.006 0.000 1.626 186 T CB 0.911 69.777 68.868 -0.004 0.000 0.939 186 T HN 0.332 nan 8.240 nan 0.000 0.656 187 P HA 0.073 nan 4.420 nan 0.000 0.267 187 P C 1.232 178.228 177.300 -0.507 0.000 1.209 187 P CA 0.030 62.805 63.100 -0.542 0.000 0.763 187 P CB 1.304 32.548 31.700 -0.759 0.000 0.816 188 S N 3.652 119.092 115.700 -0.434 0.000 2.402 188 S HA -0.186 4.283 4.470 -0.001 0.000 0.229 188 S C 1.710 176.239 174.600 -0.118 0.000 1.021 188 S CA 0.756 58.855 58.200 -0.168 0.000 0.974 188 S CB -1.463 61.739 63.200 0.003 0.000 0.800 188 S HN 0.455 nan 8.310 nan 0.000 0.484 189 F N 2.384 122.352 119.950 0.030 0.000 2.146 189 F HA 0.258 4.784 4.527 -0.001 0.000 0.298 189 F C 1.086 176.892 175.800 0.010 0.000 1.096 189 F CA -0.310 57.699 58.000 0.016 0.000 1.275 189 F CB -1.278 37.734 39.000 0.019 0.000 1.008 189 F HN -0.060 nan 8.300 nan 0.000 0.480 190 V N 1.544 121.419 119.914 -0.066 0.000 2.614 190 V HA 0.467 4.586 4.120 -0.001 0.000 0.291 190 V C 1.059 177.125 176.094 -0.046 0.000 1.049 190 V CA -0.103 62.195 62.300 -0.004 0.000 1.038 190 V CB 0.114 31.920 31.823 -0.028 0.000 0.980 190 V HN 0.780 nan 8.190 nan 0.000 0.481 191 G N 5.019 113.806 108.800 -0.022 0.000 2.583 191 G HA2 -0.199 3.761 3.960 -0.001 0.000 0.292 191 G HA3 -0.199 3.761 3.960 -0.001 0.000 0.292 191 G C 0.094 174.930 174.900 -0.106 0.000 1.203 191 G CA 0.326 45.392 45.100 -0.057 0.000 0.987 191 G HN 1.584 nan 8.290 nan 0.000 0.554 192 S N -1.886 113.719 115.700 -0.157 0.000 2.757 192 S HA 0.646 5.115 4.470 -0.001 0.000 0.285 192 S C 0.789 175.226 174.600 -0.272 0.000 1.196 192 S CA 0.458 58.513 58.200 -0.242 0.000 0.856 192 S CB 1.010 63.953 63.200 -0.428 0.000 1.212 192 S HN 1.448 nan 8.310 nan 0.000 0.516 193 H N 0.709 119.664 119.070 -0.192 0.000 2.423 193 H HA -0.014 4.541 4.556 -0.001 0.000 0.297 193 H C 2.001 177.178 175.328 -0.253 0.000 1.075 193 H CA 1.802 57.722 56.048 -0.214 0.000 1.342 193 H CB -1.120 28.441 29.762 -0.334 0.000 1.395 193 H HN 0.434 nan 8.280 nan 0.000 0.530 194 V N 1.135 120.528 119.914 -0.869 0.000 2.358 194 V HA -0.223 3.896 4.120 -0.001 0.000 0.246 194 V C 2.893 178.937 176.094 -0.083 0.000 1.047 194 V CA 2.261 64.192 62.300 -0.616 0.000 1.035 194 V CB -1.527 29.830 31.823 -0.778 0.000 0.658 194 V HN 0.577 nan 8.190 nan 0.000 0.452 195 T N -0.883 113.617 114.554 -0.091 0.000 2.821 195 T HA -0.004 4.346 4.350 -0.001 0.000 0.267 195 T C 2.058 176.812 174.700 0.090 0.000 1.046 195 T CA 1.473 63.599 62.100 0.043 0.000 1.139 195 T CB -1.039 67.825 68.868 -0.008 0.000 0.871 195 T HN 0.610 nan 8.240 nan 0.000 0.454 196 G N -0.037 108.793 108.800 0.050 0.000 2.440 196 G HA2 -0.202 3.757 3.960 -0.001 0.000 0.218 196 G HA3 -0.202 3.757 3.960 -0.001 0.000 0.218 196 G C 1.308 176.310 174.900 0.171 0.000 1.154 196 G CA 0.633 45.780 45.100 0.078 0.000 0.767 196 G HN 0.636 nan 8.290 nan 0.000 0.552 197 W N 1.193 122.564 121.300 0.119 0.000 2.358 197 W HA -0.072 4.588 4.660 -0.001 0.000 0.303 197 W C 2.218 178.879 176.519 0.236 0.000 1.208 197 W CA 1.450 58.934 57.345 0.232 0.000 1.274 197 W CB 0.043 29.703 29.460 0.334 0.000 1.138 197 W HN 0.254 nan 8.180 nan 0.000 0.515 198 D N -0.039 120.722 120.400 0.602 0.000 2.117 198 D HA -0.237 4.403 4.640 -0.001 0.000 0.197 198 D C 1.748 178.187 176.300 0.232 0.000 0.987 198 D CA 1.698 55.986 54.000 0.479 0.000 0.829 198 D CB -0.540 40.467 40.800 0.344 0.000 0.961 198 D HN 0.089 nan 8.370 nan 0.000 0.460 199 N N -0.158 118.617 118.700 0.126 0.000 2.120 199 N HA -0.159 4.581 4.740 -0.001 0.000 0.188 199 N C 1.787 177.257 175.510 -0.067 0.000 1.024 199 N CA 0.888 53.951 53.050 0.022 0.000 0.852 199 N CB -0.436 38.058 38.487 0.011 0.000 1.003 199 N HN 0.268 nan 8.380 nan 0.000 0.424 200 M N 0.145 119.691 119.600 -0.090 0.000 2.117 200 M HA -0.058 4.421 4.480 -0.001 0.000 0.262 200 M C 1.822 177.970 176.300 -0.253 0.000 1.065 200 M CA 1.210 56.396 55.300 -0.189 0.000 1.114 200 M CB -0.617 31.860 32.600 -0.205 0.000 1.361 200 M HN 0.105 nan 8.290 nan 0.000 0.408 201 F N 0.493 120.234 119.950 -0.349 0.000 2.146 201 F HA -0.155 4.372 4.527 -0.001 0.000 0.298 201 F C 2.378 178.069 175.800 -0.182 0.000 1.096 201 F CA 2.057 59.886 58.000 -0.285 0.000 1.275 201 F CB -0.446 38.357 39.000 -0.329 0.000 1.008 201 F HN 0.290 nan 8.300 nan 0.000 0.480 202 E N 0.400 120.551 120.200 -0.082 0.000 2.110 202 E HA -0.153 4.196 4.350 -0.001 0.000 0.193 202 E C 2.385 178.680 176.600 -0.507 0.000 0.988 202 E CA 1.299 57.552 56.400 -0.245 0.000 0.804 202 E CB -0.746 28.886 29.700 -0.113 0.000 0.745 202 E HN 0.495 nan 8.360 nan 0.000 0.458 203 G N 1.362 109.909 108.800 -0.421 0.000 2.418 203 G HA2 -0.216 3.743 3.960 -0.001 0.000 0.217 203 G HA3 -0.216 3.743 3.960 -0.001 0.000 0.217 203 G C 1.775 176.373 174.900 -0.503 0.000 1.158 203 G CA 0.857 45.660 45.100 -0.495 0.000 0.771 203 G HN 0.274 nan 8.290 nan 0.000 0.545 204 I N 1.283 121.534 120.570 -0.532 0.000 2.252 204 I HA -0.105 4.064 4.170 -0.001 0.000 0.245 204 I C 3.244 179.158 176.117 -0.339 0.000 1.102 204 I CA 0.945 61.937 61.300 -0.514 0.000 1.385 204 I CB -0.106 37.429 38.000 -0.775 0.000 1.064 204 I HN 0.234 nan 8.210 nan 0.000 0.414 205 A N 1.015 123.524 122.820 -0.518 0.000 1.898 205 A HA -0.235 4.085 4.320 -0.001 0.000 0.216 205 A C 2.451 179.943 177.584 -0.153 0.000 1.181 205 A CA 1.819 53.721 52.037 -0.224 0.000 0.620 205 A CB -0.642 18.151 19.000 -0.345 0.000 0.819 205 A HN 0.437 nan 8.150 nan 0.000 0.442 206 R N -1.920 118.174 120.500 -0.677 0.000 2.075 206 R HA -0.187 4.152 4.340 -0.001 0.000 0.232 206 R C 2.087 178.276 176.300 -0.184 0.000 1.126 206 R CA 1.889 57.541 56.100 -0.746 0.000 0.963 206 R CB -0.680 29.067 30.300 -0.921 0.000 0.858 206 R HN 0.553 nan 8.270 nan 0.000 0.435 207 Y N 0.550 120.644 120.300 -0.343 0.000 2.145 207 Y HA -0.236 4.314 4.550 -0.001 0.000 0.286 207 Y C 1.736 177.443 175.900 -0.322 0.000 1.145 207 Y CA 2.125 60.015 58.100 -0.350 0.000 1.148 207 Y CB -0.327 37.827 38.460 -0.509 0.000 0.981 207 Y HN 0.006 nan 8.280 nan 0.000 0.507 208 F N -0.174 119.880 119.950 0.173 0.000 2.146 208 F HA -0.172 4.354 4.527 -0.001 0.000 0.298 208 F C 2.709 178.544 175.800 0.058 0.000 1.096 208 F CA 1.975 60.038 58.000 0.105 0.000 1.275 208 F CB -0.980 38.056 39.000 0.060 0.000 1.008 208 F HN 0.167 nan 8.300 nan 0.000 0.480 209 T N -2.594 112.145 114.554 0.309 0.000 3.065 209 T HA 0.036 4.385 4.350 -0.001 0.000 0.252 209 T C 1.788 176.661 174.700 0.289 0.000 1.099 209 T CA 0.251 62.521 62.100 0.283 0.000 1.063 209 T CB -0.363 68.779 68.868 0.456 0.000 0.948 209 T HN 0.102 nan 8.240 nan 0.000 0.506 210 L N 1.298 122.681 121.223 0.267 0.000 2.056 210 L HA 0.219 4.558 4.340 -0.001 0.000 0.207 210 L C 2.380 179.306 176.870 0.094 0.000 1.078 210 L CA 1.690 56.661 54.840 0.218 0.000 0.749 210 L CB -0.537 41.627 42.059 0.174 0.000 0.901 210 L HN 0.131 nan 8.230 nan 0.000 0.433 211 K N -0.582 119.830 120.400 0.019 0.000 2.057 211 K HA 0.007 4.326 4.320 -0.001 0.000 0.206 211 K C 0.593 177.196 176.600 0.006 0.000 1.050 211 K CA 1.173 57.453 56.287 -0.012 0.000 0.935 211 K CB -0.196 32.264 32.500 -0.066 0.000 0.715 211 K HN 0.477 nan 8.250 nan 0.000 0.439 212 S N 0.230 115.938 115.700 0.013 0.000 2.520 212 S HA 0.357 4.826 4.470 -0.001 0.000 0.324 212 S C 0.365 174.973 174.600 0.013 0.000 1.069 212 S CA -0.717 57.488 58.200 0.009 0.000 1.121 212 S CB 1.354 64.553 63.200 -0.001 0.000 0.971 212 S HN -0.022 nan 8.310 nan 0.000 0.463 213 M N 1.604 121.213 119.600 0.015 0.000 2.296 213 M HA 0.205 4.684 4.480 -0.001 0.000 0.291 213 M C 0.480 176.781 176.300 0.001 0.000 1.013 213 M CA 0.315 55.622 55.300 0.011 0.000 1.089 213 M CB -0.882 31.741 32.600 0.037 0.000 1.677 213 M HN 0.566 nan 8.290 nan 0.000 0.584 214 D N 1.734 122.135 120.400 0.001 0.000 2.117 214 D HA -0.177 4.463 4.640 -0.001 0.000 0.198 214 D C 1.657 177.953 176.300 -0.006 0.000 0.982 214 D CA 1.810 55.810 54.000 -0.000 0.000 0.828 214 D CB 0.154 40.954 40.800 0.000 0.000 0.967 214 D HN 0.436 nan 8.370 nan 0.000 0.464 215 D N 0.697 121.091 120.400 -0.010 0.000 2.144 215 D HA -0.129 4.510 4.640 -0.001 0.000 0.200 215 D C 0.245 176.532 176.300 -0.021 0.000 0.978 215 D CA 0.726 54.718 54.000 -0.014 0.000 0.833 215 D CB -0.175 40.616 40.800 -0.016 0.000 0.961 215 D HN 0.037 nan 8.370 nan 0.000 0.470 216 K N 1.075 121.457 120.400 -0.030 0.000 2.401 216 K HA 0.318 4.638 4.320 -0.001 0.000 0.278 216 K C -0.092 176.497 176.600 -0.019 0.000 1.018 216 K CA -0.370 55.891 56.287 -0.043 0.000 0.981 216 K CB 2.034 34.483 32.500 -0.086 0.000 0.933 216 K HN 0.017 nan 8.250 nan 0.000 0.477 217 V N 2.532 122.440 119.914 -0.011 0.000 2.577 217 V HA 0.137 4.256 4.120 -0.001 0.000 0.303 217 V C 0.086 176.193 176.094 0.022 0.000 1.042 217 V CA -1.239 61.065 62.300 0.007 0.000 0.872 217 V CB 2.019 33.842 31.823 0.000 0.000 0.998 217 V HN 0.466 nan 8.190 nan 0.000 0.423 218 V N 4.229 124.173 119.914 0.050 0.000 2.673 218 V HA 0.390 4.510 4.120 -0.001 0.000 0.303 218 V C 1.542 177.638 176.094 0.003 0.000 1.046 218 V CA 1.716 64.055 62.300 0.064 0.000 1.126 218 V CB 0.545 32.422 31.823 0.091 0.000 0.934 218 V HN 1.393 nan 8.190 nan 0.000 0.487 219 G N 3.890 112.673 108.800 -0.027 0.000 2.184 219 G HA2 -0.327 3.633 3.960 -0.001 0.000 0.264 219 G HA3 -0.327 3.633 3.960 -0.001 0.000 0.264 219 G C 1.127 176.012 174.900 -0.025 0.000 0.975 219 G CA 1.119 46.194 45.100 -0.043 0.000 0.642 219 G HN 1.140 nan 8.290 nan 0.000 0.536 220 S N 1.016 116.707 115.700 -0.015 0.000 2.368 220 S HA -0.150 4.320 4.470 -0.001 0.000 0.224 220 S C 1.925 176.514 174.600 -0.020 0.000 1.029 220 S CA 1.753 59.944 58.200 -0.016 0.000 0.988 220 S CB -0.422 62.769 63.200 -0.014 0.000 0.838 220 S HN 1.194 nan 8.310 nan 0.000 0.462 221 N N 1.410 120.098 118.700 -0.021 0.000 2.467 221 N HA -0.027 4.712 4.740 -0.001 0.000 0.184 221 N C -0.016 175.482 175.510 -0.021 0.000 1.106 221 N CA 0.513 53.548 53.050 -0.024 0.000 0.892 221 N CB -0.779 37.691 38.487 -0.028 0.000 0.969 221 N HN 0.508 nan 8.380 nan 0.000 0.454 222 K N -1.066 119.322 120.400 -0.020 0.000 3.077 222 K HA -0.256 4.063 4.320 -0.001 0.000 0.264 222 K C -0.959 175.636 176.600 -0.008 0.000 1.008 222 K CA 1.002 57.278 56.287 -0.018 0.000 0.740 222 K CB -2.225 30.265 32.500 -0.017 0.000 1.273 222 K HN 0.468 nan 8.250 nan 0.000 0.477 223 K N 0.100 120.500 120.400 0.000 0.000 2.443 223 K HA 0.605 4.924 4.320 -0.001 0.000 0.251 223 K C -0.396 176.231 176.600 0.046 0.000 0.972 223 K CA -1.015 55.289 56.287 0.028 0.000 0.833 223 K CB 1.975 34.485 32.500 0.017 0.000 1.317 223 K HN 0.025 nan 8.250 nan 0.000 0.441 224 I N 2.385 123.010 120.570 0.093 0.000 2.362 224 I HA 0.195 4.364 4.170 -0.001 0.000 0.289 224 I C -0.497 175.721 176.117 0.168 0.000 0.994 224 I CA -0.993 60.362 61.300 0.092 0.000 1.158 224 I CB 1.345 39.379 38.000 0.056 0.000 1.315 224 I HN 0.408 nan 8.210 nan 0.000 0.451 225 N N 7.192 126.011 118.700 0.199 0.000 2.497 225 N HA 0.321 5.060 4.740 -0.001 0.000 0.271 225 N C -0.631 175.018 175.510 0.232 0.000 1.142 225 N CA -0.110 53.098 53.050 0.263 0.000 0.965 225 N CB 1.415 40.132 38.487 0.383 0.000 1.077 225 N HN 0.333 nan 8.380 nan 0.000 0.462 226 I N 2.171 122.874 120.570 0.222 0.000 2.389 226 I HA 0.287 4.456 4.170 -0.001 0.000 0.288 226 I C -0.207 175.991 176.117 0.134 0.000 0.999 226 I CA -0.795 60.602 61.300 0.162 0.000 1.129 226 I CB 1.362 39.446 38.000 0.141 0.000 1.288 226 I HN 0.032 nan 8.210 nan 0.000 0.444 227 V N 9.095 129.038 119.914 0.048 0.000 2.378 227 V HA 0.286 4.406 4.120 -0.001 0.000 0.288 227 V C -1.232 174.790 176.094 -0.120 0.000 1.016 227 V CA -1.094 61.172 62.300 -0.057 0.000 0.840 227 V CB 1.939 33.619 31.823 -0.238 0.000 0.994 227 V HN 0.567 nan 8.190 nan 0.000 0.431 228 P HA -0.008 nan 4.420 nan 0.000 0.217 228 P C 0.800 177.836 177.300 -0.440 0.000 1.150 228 P CA 1.794 64.772 63.100 -0.203 0.000 0.832 228 P CB 0.519 32.217 31.700 -0.004 0.000 0.787 229 G N 0.322 108.604 108.800 -0.863 0.000 2.615 229 G HA2 -0.248 3.712 3.960 -0.001 0.000 0.218 229 G HA3 -0.248 3.712 3.960 -0.001 0.000 0.218 229 G C -1.033 172.978 174.900 -1.482 0.000 1.339 229 G CA -0.326 44.046 45.100 -1.213 0.000 0.884 229 G HN 0.339 nan 8.290 nan 0.000 0.559 230 F N 1.995 121.402 119.950 -0.905 0.000 2.438 230 F HA 0.646 5.172 4.527 -0.001 0.000 0.360 230 F C 0.237 175.810 175.800 -0.379 0.000 1.118 230 F CA -0.058 57.475 58.000 -0.779 0.000 1.164 230 F CB 1.185 39.896 39.000 -0.482 0.000 1.131 230 F HN 0.678 nan 8.300 nan 0.000 0.527 231 E N 3.377 123.287 120.200 -0.483 0.000 2.246 231 E HA 0.255 4.604 4.350 -0.001 0.000 0.266 231 E C -0.133 176.299 176.600 -0.281 0.000 0.880 231 E CA -0.438 55.752 56.400 -0.350 0.000 0.762 231 E CB 1.492 30.895 29.700 -0.494 0.000 1.180 231 E HN 0.541 nan 8.360 nan 0.000 0.416 232 T N 1.380 115.753 114.554 -0.301 0.000 3.134 232 T HA 0.267 4.617 4.350 -0.001 0.000 0.260 232 T C -0.330 174.438 174.700 0.113 0.000 1.027 232 T CA -0.093 61.937 62.100 -0.116 0.000 0.913 232 T CB -0.237 68.220 68.868 -0.684 0.000 1.046 232 T HN 0.258 nan 8.240 nan 0.000 0.553 233 Y N 1.133 121.548 120.300 0.191 0.000 2.328 233 Y HA 0.542 5.091 4.550 -0.001 0.000 0.337 233 Y C 1.099 177.120 175.900 0.202 0.000 0.966 233 Y CA -2.249 55.964 58.100 0.189 0.000 1.136 233 Y CB 1.469 39.960 38.460 0.053 0.000 1.170 233 Y HN -0.032 nan 8.280 nan 0.000 0.470 234 L N 2.068 123.558 121.223 0.445 0.000 2.056 234 L HA -0.088 4.252 4.340 -0.001 0.000 0.207 234 L C 2.277 179.303 176.870 0.259 0.000 1.078 234 L CA 1.435 56.508 54.840 0.388 0.000 0.749 234 L CB -0.616 41.585 42.059 0.237 0.000 0.901 234 L HN 0.936 nan 8.230 nan 0.000 0.433 235 G N 0.282 109.171 108.800 0.147 0.000 2.475 235 G HA2 -0.293 3.666 3.960 -0.001 0.000 0.220 235 G HA3 -0.293 3.666 3.960 -0.001 0.000 0.220 235 G C 1.393 176.296 174.900 0.006 0.000 1.125 235 G CA 0.868 45.995 45.100 0.044 0.000 0.755 235 G HN 0.340 nan 8.290 nan 0.000 0.565 236 N N 0.359 119.049 118.700 -0.017 0.000 2.142 236 N HA -0.044 4.696 4.740 -0.001 0.000 0.186 236 N C 1.861 177.273 175.510 -0.163 0.000 1.023 236 N CA 0.816 53.776 53.050 -0.151 0.000 0.852 236 N CB -0.479 37.870 38.487 -0.230 0.000 0.998 236 N HN 0.358 nan 8.380 nan 0.000 0.424 237 F N 1.506 121.446 119.950 -0.017 0.000 2.146 237 F HA 0.017 4.543 4.527 -0.001 0.000 0.298 237 F C 2.428 178.206 175.800 -0.036 0.000 1.096 237 F CA 0.878 58.860 58.000 -0.030 0.000 1.275 237 F CB -0.243 38.748 39.000 -0.016 0.000 1.008 237 F HN -0.063 nan 8.300 nan 0.000 0.480 238 R N -0.361 120.245 120.500 0.177 0.000 2.075 238 R HA -0.114 4.226 4.340 -0.001 0.000 0.232 238 R C 2.298 178.607 176.300 0.015 0.000 1.126 238 R CA 1.318 57.469 56.100 0.084 0.000 0.963 238 R CB -0.994 29.347 30.300 0.069 0.000 0.858 238 R HN 0.212 nan 8.270 nan 0.000 0.435 239 V N 1.243 121.142 119.914 -0.025 0.000 2.358 239 V HA -0.191 3.928 4.120 -0.001 0.000 0.246 239 V C 2.025 178.057 176.094 -0.104 0.000 1.047 239 V CA 1.491 63.749 62.300 -0.070 0.000 1.035 239 V CB -0.235 31.524 31.823 -0.107 0.000 0.658 239 V HN 0.227 nan 8.190 nan 0.000 0.452 240 I N 0.183 120.675 120.570 -0.130 0.000 2.226 240 I HA -0.222 3.948 4.170 -0.001 0.000 0.245 240 I C 2.484 178.490 176.117 -0.185 0.000 1.100 240 I CA 1.803 63.006 61.300 -0.162 0.000 1.374 240 I CB -1.252 36.647 38.000 -0.168 0.000 1.057 240 I HN 0.385 nan 8.210 nan 0.000 0.413 241 K N -0.205 120.094 120.400 -0.169 0.000 2.057 241 K HA -0.154 4.166 4.320 -0.001 0.000 0.206 241 K C 2.279 178.796 176.600 -0.138 0.000 1.050 241 K CA 0.739 56.870 56.287 -0.260 0.000 0.935 241 K CB -0.123 32.377 32.500 -0.001 0.000 0.715 241 K HN 0.139 nan 8.250 nan 0.000 0.439 242 R N 1.211 121.681 120.500 -0.051 0.000 2.081 242 R HA -0.076 4.263 4.340 -0.001 0.000 0.235 242 R C 2.103 178.393 176.300 -0.016 0.000 1.131 242 R CA 1.565 57.660 56.100 -0.009 0.000 0.960 242 R CB -0.189 30.109 30.300 -0.004 0.000 0.856 242 R HN 0.230 nan 8.270 nan 0.000 0.436 243 M N 0.370 119.947 119.600 -0.039 0.000 2.132 243 M HA -0.141 4.338 4.480 -0.001 0.000 0.263 243 M C 2.370 178.664 176.300 -0.010 0.000 1.065 243 M CA 1.462 56.755 55.300 -0.012 0.000 1.122 243 M CB -0.283 32.314 32.600 -0.005 0.000 1.365 243 M HN 0.086 nan 8.290 nan 0.000 0.411 244 L N -0.811 120.369 121.223 -0.071 0.000 2.046 244 L HA -0.184 4.155 4.340 -0.001 0.000 0.208 244 L C 2.629 179.521 176.870 0.037 0.000 1.077 244 L CA 0.951 55.748 54.840 -0.071 0.000 0.747 244 L CB -0.748 41.137 42.059 -0.291 0.000 0.896 244 L HN 0.247 nan 8.230 nan 0.000 0.432 245 S N -0.573 115.165 115.700 0.063 0.000 2.368 245 S HA -0.232 4.237 4.470 -0.001 0.000 0.225 245 S C 1.931 176.579 174.600 0.080 0.000 1.030 245 S CA 1.437 59.723 58.200 0.143 0.000 0.999 245 S CB -0.117 63.170 63.200 0.145 0.000 0.844 245 S HN 0.415 nan 8.310 nan 0.000 0.459 246 E N 0.542 120.773 120.200 0.051 0.000 2.077 246 E HA -0.053 4.296 4.350 -0.001 0.000 0.193 246 E C 1.942 178.566 176.600 0.040 0.000 0.989 246 E CA 0.937 57.362 56.400 0.042 0.000 0.800 246 E CB -0.089 29.633 29.700 0.037 0.000 0.746 246 E HN 0.419 nan 8.360 nan 0.000 0.452 247 M N -1.214 118.408 119.600 0.037 0.000 2.476 247 M HA 0.024 4.504 4.480 -0.001 0.000 0.262 247 M C 1.209 177.529 176.300 0.034 0.000 1.079 247 M CA 1.053 56.370 55.300 0.029 0.000 1.104 247 M CB 0.536 33.145 32.600 0.014 0.000 1.409 247 M HN 0.426 nan 8.290 nan 0.000 0.467 248 G N 0.244 109.076 108.800 0.053 0.000 2.176 248 G HA2 -0.208 3.751 3.960 -0.001 0.000 0.253 248 G HA3 -0.208 3.751 3.960 -0.001 0.000 0.253 248 G C 0.048 174.987 174.900 0.064 0.000 0.979 248 G CA 0.075 45.208 45.100 0.055 0.000 0.641 248 G HN 0.325 nan 8.290 nan 0.000 0.530 249 V N 1.291 121.252 119.914 0.079 0.000 2.555 249 V HA 0.571 4.691 4.120 -0.001 0.000 0.286 249 V C 1.462 177.663 176.094 0.179 0.000 1.044 249 V CA 0.097 62.450 62.300 0.088 0.000 1.026 249 V CB 1.143 33.001 31.823 0.058 0.000 0.981 249 V HN 0.731 nan 8.190 nan 0.000 0.480 250 G N 4.117 112.984 108.800 0.112 0.000 2.467 250 G HA2 0.497 4.457 3.960 -0.001 0.000 0.257 250 G HA3 0.497 4.457 3.960 -0.001 0.000 0.257 250 G C -0.938 174.069 174.900 0.177 0.000 1.227 250 G CA -0.097 45.050 45.100 0.077 0.000 0.835 250 G HN 0.979 nan 8.290 nan 0.000 0.556 251 Y N -1.608 118.703 120.300 0.019 0.000 2.624 251 Y HA 0.751 5.300 4.550 -0.001 0.000 0.334 251 Y C -0.637 175.288 175.900 0.043 0.000 1.155 251 Y CA -1.511 56.611 58.100 0.036 0.000 1.046 251 Y CB 1.267 39.756 38.460 0.049 0.000 1.316 251 Y HN 0.481 nan 8.280 nan 0.000 0.457 252 S N 2.085 117.937 115.700 0.253 0.000 2.605 252 S HA 0.570 5.039 4.470 -0.001 0.000 0.308 252 S C -1.850 172.920 174.600 0.283 0.000 1.113 252 S CA -0.558 57.742 58.200 0.167 0.000 1.049 252 S CB 0.867 64.133 63.200 0.110 0.000 1.001 252 S HN 0.710 nan 8.310 nan 0.000 0.480 253 L N 6.614 128.005 121.223 0.279 0.000 2.265 253 L HA 0.575 4.914 4.340 -0.001 0.000 0.289 253 L C -1.099 175.872 176.870 0.167 0.000 1.033 253 L CA -0.235 54.751 54.840 0.245 0.000 0.814 253 L CB 0.523 42.732 42.059 0.250 0.000 1.203 253 L HN 0.587 nan 8.230 nan 0.000 0.423 254 L N 5.322 126.680 121.223 0.226 0.000 2.281 254 L HA 0.373 4.712 4.340 -0.001 0.000 0.285 254 L C 0.807 177.781 176.870 0.174 0.000 1.074 254 L CA -0.510 54.494 54.840 0.273 0.000 0.817 254 L CB 0.952 43.373 42.059 0.603 0.000 1.168 254 L HN 0.899 nan 8.230 nan 0.000 0.434 255 S N 1.942 117.460 115.700 -0.302 0.000 4.012 255 S HA -0.178 4.292 4.470 -0.001 0.000 0.494 255 S C -0.456 174.059 174.600 -0.142 0.000 0.810 255 S CA 0.210 58.161 58.200 -0.414 0.000 1.309 255 S CB -0.881 62.441 63.200 0.203 0.000 0.822 255 S HN 0.918 nan 8.310 nan 0.000 0.644 256 D N 3.116 123.342 120.400 -0.291 0.000 2.427 256 D HA 0.529 5.169 4.640 -0.001 0.000 0.226 256 D C -1.055 174.964 176.300 -0.468 0.000 1.076 256 D CA -1.954 51.841 54.000 -0.342 0.000 0.849 256 D CB 1.152 41.831 40.800 -0.203 0.000 1.052 256 D HN 0.202 nan 8.370 nan 0.000 0.515 257 P HA 0.064 nan 4.420 nan 0.000 0.266 257 P C 0.456 177.424 177.300 -0.554 0.000 1.381 257 P CA 0.112 62.904 63.100 -0.513 0.000 0.940 257 P CB 0.333 31.781 31.700 -0.420 0.000 1.435 258 E N 0.359 120.161 120.200 -0.664 0.000 2.072 258 E HA -0.185 4.165 4.350 -0.001 0.000 0.191 258 E C 1.677 178.156 176.600 -0.202 0.000 0.985 258 E CA 1.084 57.243 56.400 -0.401 0.000 0.801 258 E CB -0.656 28.858 29.700 -0.310 0.000 0.750 258 E HN -0.028 nan 8.360 nan 0.000 0.452 259 E N 0.667 120.765 120.200 -0.170 0.000 2.072 259 E HA -0.107 4.242 4.350 -0.001 0.000 0.191 259 E C 2.254 178.803 176.600 -0.085 0.000 0.985 259 E CA 1.059 57.401 56.400 -0.095 0.000 0.801 259 E CB -0.465 29.191 29.700 -0.073 0.000 0.750 259 E HN 0.255 nan 8.360 nan 0.000 0.452 260 V N 1.013 120.860 119.914 -0.112 0.000 2.427 260 V HA -0.158 3.961 4.120 -0.001 0.000 0.248 260 V C 2.190 178.222 176.094 -0.105 0.000 1.051 260 V CA 1.105 63.354 62.300 -0.085 0.000 1.048 260 V CB -0.192 31.587 31.823 -0.073 0.000 0.666 260 V HN 0.203 nan 8.190 nan 0.000 0.456 261 L N -0.499 120.608 121.223 -0.193 0.000 2.478 261 L HA 0.033 4.373 4.340 -0.001 0.000 0.223 261 L C 1.089 177.921 176.870 -0.063 0.000 1.140 261 L CA 1.098 55.789 54.840 -0.248 0.000 0.842 261 L CB -0.174 41.556 42.059 -0.547 0.000 0.953 261 L HN 0.350 nan 8.230 nan 0.000 0.452 262 D N -0.636 119.746 120.400 -0.030 0.000 2.696 262 D HA 0.038 4.677 4.640 -0.001 0.000 0.269 262 D C 0.408 176.727 176.300 0.031 0.000 1.319 262 D CA -0.075 53.947 54.000 0.036 0.000 0.826 262 D CB 0.405 41.226 40.800 0.035 0.000 1.086 262 D HN 0.037 nan 8.370 nan 0.000 0.481 263 T N -0.227 114.345 114.554 0.030 0.000 2.916 263 T HA 0.324 4.674 4.350 -0.001 0.000 0.303 263 T C -1.906 172.825 174.700 0.052 0.000 1.025 263 T CA -1.219 60.902 62.100 0.035 0.000 1.142 263 T CB 1.109 70.002 68.868 0.041 0.000 0.947 263 T HN -0.004 nan 8.240 nan 0.000 0.544 264 P HA 0.326 nan 4.420 nan 0.000 0.271 264 P C -0.847 176.484 177.300 0.053 0.000 1.218 264 P CA -0.587 62.537 63.100 0.041 0.000 0.780 264 P CB 0.558 32.275 31.700 0.028 0.000 0.901 265 A N 2.644 125.494 122.820 0.051 0.000 2.506 265 A HA 0.322 4.641 4.320 -0.001 0.000 0.320 265 A C 0.389 177.999 177.584 0.043 0.000 1.424 265 A CA -0.429 51.641 52.037 0.055 0.000 1.044 265 A CB -0.480 18.552 19.000 0.053 0.000 1.140 265 A HN 0.590 nan 8.150 nan 0.000 0.538 266 D N 1.314 121.741 120.400 0.045 0.000 2.571 266 D HA 0.309 4.949 4.640 -0.001 0.000 0.239 266 D C 0.922 177.245 176.300 0.038 0.000 1.267 266 D CA 0.402 54.423 54.000 0.035 0.000 0.823 266 D CB -0.183 40.635 40.800 0.029 0.000 1.056 266 D HN 1.031 nan 8.370 nan 0.000 0.494 267 G N 0.853 109.680 108.800 0.046 0.000 2.195 267 G HA2 -0.272 3.687 3.960 -0.001 0.000 0.246 267 G HA3 -0.272 3.687 3.960 -0.001 0.000 0.246 267 G C 0.004 174.941 174.900 0.062 0.000 0.984 267 G CA 0.308 45.436 45.100 0.047 0.000 0.633 267 G HN 0.728 nan 8.290 nan 0.000 0.525 268 Q N -0.644 119.199 119.800 0.071 0.000 2.337 268 Q HA 0.707 5.047 4.340 -0.001 0.000 0.270 268 Q C -0.770 175.312 176.000 0.136 0.000 1.043 268 Q CA -1.397 54.458 55.803 0.086 0.000 0.794 268 Q CB 2.029 30.795 28.738 0.046 0.000 1.281 268 Q HN 0.553 nan 8.270 nan 0.000 0.446 269 F N 3.217 123.169 119.950 0.004 0.000 2.445 269 F HA 0.414 4.940 4.527 -0.001 0.000 0.359 269 F C -0.788 175.003 175.800 -0.015 0.000 1.101 269 F CA -0.753 57.244 58.000 -0.005 0.000 1.177 269 F CB 0.838 39.834 39.000 -0.006 0.000 1.110 269 F HN 0.568 nan 8.300 nan 0.000 0.522 270 R N 7.611 127.899 120.500 -0.354 0.000 2.246 270 R HA 0.252 4.591 4.340 -0.001 0.000 0.332 270 R C 1.016 176.851 176.300 -0.776 0.000 0.974 270 R CA -0.528 55.258 56.100 -0.524 0.000 0.837 270 R CB 1.518 31.711 30.300 -0.178 0.000 1.145 270 R HN 0.908 nan 8.270 nan 0.000 0.467 271 M N 2.081 121.035 119.600 -1.077 0.000 2.132 271 M HA -0.042 4.438 4.480 -0.001 0.000 0.263 271 M C -0.490 175.489 176.300 -0.536 0.000 1.065 271 M CA 1.778 56.556 55.300 -0.870 0.000 1.122 271 M CB 0.419 32.440 32.600 -0.966 0.000 1.365 271 M HN 0.429 nan 8.290 nan 0.000 0.411 272 Y N -0.364 119.843 120.300 -0.154 0.000 2.409 272 Y HA 0.682 5.231 4.550 -0.001 0.000 0.343 272 Y C -0.422 175.429 175.900 -0.082 0.000 0.973 272 Y CA -1.529 56.522 58.100 -0.082 0.000 1.064 272 Y CB 1.263 39.697 38.460 -0.044 0.000 1.207 272 Y HN 0.043 nan 8.280 nan 0.000 0.452 273 A N 1.673 124.546 122.820 0.087 0.000 2.455 273 A HA 0.779 5.098 4.320 -0.001 0.000 0.300 273 A C 0.430 178.005 177.584 -0.015 0.000 1.040 273 A CA -0.208 51.840 52.037 0.018 0.000 0.697 273 A CB 0.851 19.843 19.000 -0.013 0.000 1.265 273 A HN 1.471 nan 8.150 nan 0.000 0.407 274 G N 1.389 110.174 108.800 -0.025 0.000 2.611 274 G HA2 0.417 4.377 3.960 -0.001 0.000 0.301 274 G HA3 0.417 4.377 3.960 -0.001 0.000 0.301 274 G C 1.575 176.436 174.900 -0.066 0.000 1.233 274 G CA 1.290 46.360 45.100 -0.051 0.000 0.993 274 G HN 3.203 nan 8.290 nan 0.000 0.553 275 G N -3.383 105.354 108.800 -0.105 0.000 2.699 275 G HA2 0.355 4.314 3.960 -0.001 0.000 0.686 275 G HA3 0.355 4.314 3.960 -0.001 0.000 0.686 275 G C -0.129 174.687 174.900 -0.140 0.000 1.301 275 G CA 0.426 45.441 45.100 -0.142 0.000 0.816 275 G HN 1.870 nan 8.290 nan 0.000 0.595 276 T N 1.623 116.045 114.554 -0.220 0.000 2.851 276 T HA 0.541 4.890 4.350 -0.001 0.000 0.298 276 T C 1.351 176.028 174.700 -0.038 0.000 0.977 276 T CA 0.824 62.827 62.100 -0.162 0.000 1.126 276 T CB 0.526 69.196 68.868 -0.329 0.000 0.916 276 T HN 1.417 nan 8.240 nan 0.000 0.529 277 T N 2.182 116.707 114.554 -0.049 0.000 2.868 277 T HA 0.178 4.527 4.350 -0.001 0.000 0.292 277 T C 1.326 175.945 174.700 -0.134 0.000 1.028 277 T CA -0.568 61.488 62.100 -0.073 0.000 1.059 277 T CB 0.869 69.690 68.868 -0.078 0.000 0.991 277 T HN 0.600 nan 8.240 nan 0.000 0.531 278 Q N 0.063 119.727 119.800 -0.227 0.000 2.079 278 Q HA -0.108 4.232 4.340 -0.001 0.000 0.200 278 Q C 2.291 178.058 176.000 -0.388 0.000 0.974 278 Q CA 1.175 56.673 55.803 -0.509 0.000 0.840 278 Q CB -0.010 28.507 28.738 -0.368 0.000 0.898 278 Q HN 0.686 nan 8.270 nan 0.000 0.430 279 E N 0.968 121.054 120.200 -0.190 0.000 2.110 279 E HA -0.179 4.170 4.350 -0.001 0.000 0.193 279 E C 1.733 178.264 176.600 -0.115 0.000 0.988 279 E CA 0.967 57.295 56.400 -0.121 0.000 0.804 279 E CB 0.003 29.657 29.700 -0.077 0.000 0.745 279 E HN 0.406 nan 8.360 nan 0.000 0.458 280 E N -0.288 119.849 120.200 -0.105 0.000 2.077 280 E HA -0.162 4.187 4.350 -0.001 0.000 0.193 280 E C 1.986 178.550 176.600 -0.059 0.000 0.989 280 E CA 0.826 57.188 56.400 -0.064 0.000 0.800 280 E CB -0.003 29.675 29.700 -0.036 0.000 0.746 280 E HN 0.123 nan 8.360 nan 0.000 0.452 281 M N 0.722 120.256 119.600 -0.110 0.000 2.132 281 M HA -0.124 4.355 4.480 -0.001 0.000 0.263 281 M C 1.853 178.097 176.300 -0.094 0.000 1.065 281 M CA 1.578 56.822 55.300 -0.094 0.000 1.122 281 M CB -0.467 31.941 32.600 -0.319 0.000 1.365 281 M HN -0.021 nan 8.290 nan 0.000 0.411 282 K N -0.557 119.768 120.400 -0.126 0.000 2.057 282 K HA -0.163 4.157 4.320 -0.001 0.000 0.206 282 K C 1.372 177.911 176.600 -0.102 0.000 1.050 282 K CA 1.506 57.774 56.287 -0.032 0.000 0.935 282 K CB -0.318 32.189 32.500 0.010 0.000 0.715 282 K HN 0.210 nan 8.250 nan 0.000 0.439 283 D N 0.492 120.826 120.400 -0.109 0.000 2.363 283 D HA 0.035 4.674 4.640 -0.001 0.000 0.226 283 D C 1.438 177.637 176.300 -0.169 0.000 1.020 283 D CA 0.297 54.226 54.000 -0.119 0.000 0.892 283 D CB 0.191 40.943 40.800 -0.079 0.000 0.900 283 D HN 0.206 nan 8.370 nan 0.000 0.531 284 A N 0.980 123.648 122.820 -0.253 0.000 1.902 284 A HA -0.075 4.244 4.320 -0.001 0.000 0.217 284 A C -0.121 177.149 177.584 -0.524 0.000 1.181 284 A CA 0.931 52.764 52.037 -0.341 0.000 0.623 284 A CB -1.421 17.340 19.000 -0.399 0.000 0.818 284 A HN 0.258 nan 8.150 nan 0.000 0.443 285 P HA -0.094 nan 4.420 nan 0.000 0.221 285 P C 0.650 177.902 177.300 -0.081 0.000 1.145 285 P CA 0.884 63.532 63.100 -0.753 0.000 0.795 285 P CB -0.135 31.040 31.700 -0.875 0.000 0.775 286 N N -0.617 118.027 118.700 -0.093 0.000 2.521 286 N HA 0.031 4.770 4.740 -0.001 0.000 0.188 286 N C 0.714 176.238 175.510 0.022 0.000 1.146 286 N CA 0.212 53.254 53.050 -0.012 0.000 0.893 286 N CB -0.250 38.209 38.487 -0.046 0.000 0.975 286 N HN 0.112 nan 8.380 nan 0.000 0.451 287 A N 0.196 123.063 122.820 0.078 0.000 2.332 287 A HA 0.309 4.629 4.320 -0.001 0.000 0.258 287 A C 1.508 178.999 177.584 -0.154 0.000 1.087 287 A CA -0.419 51.630 52.037 0.020 0.000 0.802 287 A CB 0.459 19.532 19.000 0.123 0.000 1.042 287 A HN 0.138 nan 8.150 nan 0.000 0.489 288 L N 0.167 121.300 121.223 -0.150 0.000 2.056 288 L HA 0.008 4.347 4.340 -0.001 0.000 0.207 288 L C 0.989 177.657 176.870 -0.336 0.000 1.078 288 L CA 1.036 55.768 54.840 -0.181 0.000 0.749 288 L CB -0.397 41.602 42.059 -0.101 0.000 0.901 288 L HN 0.767 nan 8.230 nan 0.000 0.433 289 N N -2.032 116.477 118.700 -0.318 0.000 2.961 289 N HA 0.251 4.990 4.740 -0.001 0.000 0.245 289 N C -1.453 174.045 175.510 -0.019 0.000 1.404 289 N CA -0.347 52.528 53.050 -0.292 0.000 0.880 289 N CB 2.142 40.554 38.487 -0.126 0.000 1.461 289 N HN -0.305 nan 8.380 nan 0.000 0.510 290 T N 0.593 115.262 114.554 0.191 0.000 2.786 290 T HA 0.500 4.850 4.350 -0.001 0.000 0.283 290 T C -0.562 174.234 174.700 0.160 0.000 0.992 290 T CA -0.360 61.921 62.100 0.302 0.000 0.954 290 T CB 1.039 70.204 68.868 0.495 0.000 0.934 290 T HN 0.169 nan 8.240 nan 0.000 0.440 291 V N 5.358 125.348 119.914 0.127 0.000 2.435 291 V HA 0.483 4.603 4.120 -0.001 0.000 0.290 291 V C -0.217 175.916 176.094 0.065 0.000 1.030 291 V CA -0.873 61.477 62.300 0.083 0.000 0.881 291 V CB 1.393 33.277 31.823 0.102 0.000 0.983 291 V HN 0.715 nan 8.190 nan 0.000 0.445 292 L N 5.361 126.588 121.223 0.007 0.000 2.287 292 L HA 0.433 4.772 4.340 -0.001 0.000 0.287 292 L C 1.005 177.822 176.870 -0.088 0.000 1.022 292 L CA -0.412 54.390 54.840 -0.063 0.000 0.814 292 L CB 1.431 43.426 42.059 -0.106 0.000 1.217 292 L HN 0.571 nan 8.230 nan 0.000 0.420 293 L N 1.975 123.127 121.223 -0.119 0.000 2.056 293 L HA -0.086 4.254 4.340 -0.001 0.000 0.207 293 L C 0.688 177.463 176.870 -0.158 0.000 1.078 293 L CA 1.407 56.159 54.840 -0.146 0.000 0.749 293 L CB -0.104 41.843 42.059 -0.187 0.000 0.901 293 L HN 0.697 nan 8.230 nan 0.000 0.433 294 Q N 0.128 119.792 119.800 -0.227 0.000 2.607 294 Q HA 0.182 4.521 4.340 -0.001 0.000 0.247 294 Q C -1.770 174.041 176.000 -0.315 0.000 1.033 294 Q CA -1.626 54.056 55.803 -0.202 0.000 0.769 294 Q CB 1.417 30.028 28.738 -0.211 0.000 1.169 294 Q HN 0.055 nan 8.270 nan 0.000 0.508 295 P HA -0.180 nan 4.420 nan 0.000 0.219 295 P C 0.370 177.460 177.300 -0.349 0.000 1.146 295 P CA 1.120 64.036 63.100 -0.307 0.000 0.808 295 P CB 0.201 31.689 31.700 -0.353 0.000 0.779 296 W N 0.970 122.232 121.300 -0.065 0.000 2.388 296 W HA -0.116 4.543 4.660 -0.001 0.000 0.294 296 W C 2.680 179.203 176.519 0.008 0.000 1.212 296 W CA 1.378 58.735 57.345 0.020 0.000 1.271 296 W CB -1.107 28.416 29.460 0.104 0.000 1.126 296 W HN 0.244 nan 8.180 nan 0.000 0.535 297 H N -1.593 117.551 119.070 0.123 0.000 2.551 297 H HA 0.272 4.827 4.556 -0.001 0.000 0.271 297 H C 1.025 176.389 175.328 0.059 0.000 0.984 297 H CA 0.333 56.419 56.048 0.063 0.000 1.164 297 H CB -0.490 29.275 29.762 0.006 0.000 1.437 297 H HN 0.186 nan 8.280 nan 0.000 0.550 298 L N 1.454 122.570 121.223 -0.179 0.000 2.848 298 L HA 0.144 4.483 4.340 -0.001 0.000 0.240 298 L C 1.280 178.126 176.870 -0.039 0.000 1.232 298 L CA -0.083 54.702 54.840 -0.092 0.000 1.031 298 L CB 0.219 42.156 42.059 -0.204 0.000 1.338 298 L HN 0.191 nan 8.230 nan 0.000 0.509 299 E N 0.679 120.866 120.200 -0.021 0.000 2.077 299 E HA -0.266 4.083 4.350 -0.001 0.000 0.193 299 E C 1.802 178.409 176.600 0.012 0.000 0.989 299 E CA 1.112 57.495 56.400 -0.029 0.000 0.800 299 E CB 0.152 29.845 29.700 -0.011 0.000 0.746 299 E HN 0.374 nan 8.360 nan 0.000 0.452 300 K N 0.509 120.941 120.400 0.053 0.000 2.057 300 K HA -0.098 4.221 4.320 -0.001 0.000 0.206 300 K C 2.212 178.861 176.600 0.083 0.000 1.050 300 K CA 1.475 57.799 56.287 0.063 0.000 0.935 300 K CB 0.039 32.582 32.500 0.071 0.000 0.715 300 K HN -0.033 nan 8.250 nan 0.000 0.439 301 T N 0.941 115.566 114.554 0.117 0.000 2.788 301 T HA -0.141 4.208 4.350 -0.001 0.000 0.268 301 T C 1.643 176.384 174.700 0.068 0.000 1.044 301 T CA 1.458 63.657 62.100 0.164 0.000 1.139 301 T CB -0.078 68.949 68.868 0.266 0.000 0.867 301 T HN 0.315 nan 8.240 nan 0.000 0.454 302 K N 1.026 121.433 120.400 0.012 0.000 2.057 302 K HA -0.119 4.201 4.320 -0.001 0.000 0.207 302 K C 2.216 178.786 176.600 -0.050 0.000 1.049 302 K CA 1.211 57.476 56.287 -0.037 0.000 0.931 302 K CB 0.012 32.471 32.500 -0.068 0.000 0.714 302 K HN 0.153 nan 8.250 nan 0.000 0.440 303 K N -0.123 120.263 120.400 -0.024 0.000 2.057 303 K HA -0.159 4.161 4.320 -0.001 0.000 0.207 303 K C 2.093 178.653 176.600 -0.066 0.000 1.049 303 K CA 1.412 57.680 56.287 -0.032 0.000 0.931 303 K CB -0.315 32.186 32.500 0.002 0.000 0.714 303 K HN 0.193 nan 8.250 nan 0.000 0.440 304 F N 1.719 121.573 119.950 -0.159 0.000 2.146 304 F HA -0.180 4.346 4.527 -0.001 0.000 0.298 304 F C 2.039 177.583 175.800 -0.428 0.000 1.096 304 F CA 0.967 58.818 58.000 -0.249 0.000 1.275 304 F CB -0.252 38.588 39.000 -0.267 0.000 1.008 304 F HN -0.299 nan 8.300 nan 0.000 0.480 305 V N 0.737 120.343 119.914 -0.514 0.000 2.358 305 V HA -0.246 3.873 4.120 -0.001 0.000 0.246 305 V C 2.282 178.137 176.094 -0.399 0.000 1.047 305 V CA 2.247 64.113 62.300 -0.725 0.000 1.035 305 V CB -0.600 30.996 31.823 -0.379 0.000 0.658 305 V HN 0.349 nan 8.190 nan 0.000 0.452 306 E N 0.279 120.348 120.200 -0.217 0.000 2.047 306 E HA -0.131 4.219 4.350 -0.001 0.000 0.191 306 E C 2.311 178.825 176.600 -0.144 0.000 0.987 306 E CA 1.352 57.686 56.400 -0.111 0.000 0.799 306 E CB -0.480 29.180 29.700 -0.067 0.000 0.752 306 E HN 0.627 nan 8.360 nan 0.000 0.449 307 G N 0.888 109.566 108.800 -0.204 0.000 2.414 307 G HA2 -0.225 3.734 3.960 -0.001 0.000 0.215 307 G HA3 -0.225 3.734 3.960 -0.001 0.000 0.215 307 G C 1.667 176.427 174.900 -0.233 0.000 1.188 307 G CA 1.304 46.295 45.100 -0.182 0.000 0.783 307 G HN 0.172 nan 8.290 nan 0.000 0.537 308 T N -0.156 114.112 114.554 -0.476 0.000 2.851 308 T HA -0.055 4.294 4.350 -0.001 0.000 0.262 308 T C 1.862 176.496 174.700 -0.111 0.000 1.043 308 T CA 0.960 62.801 62.100 -0.432 0.000 1.140 308 T CB -0.146 68.192 68.868 -0.883 0.000 0.872 308 T HN 0.437 nan 8.240 nan 0.000 0.446 309 W N 1.212 122.256 121.300 -0.427 0.000 3.077 309 W HA 0.382 5.041 4.660 -0.001 0.000 0.266 309 W C 0.595 177.010 176.519 -0.173 0.000 1.300 309 W CA -0.672 56.466 57.345 -0.345 0.000 1.586 309 W CB -0.304 28.783 29.460 -0.621 0.000 1.103 309 W HN 0.093 nan 8.180 nan 0.000 0.652 310 K N -0.240 120.201 120.400 0.068 0.000 3.088 310 K HA -0.256 4.064 4.320 -0.001 0.000 0.273 310 K C -0.281 176.458 176.600 0.232 0.000 1.111 310 K CA 0.866 57.216 56.287 0.105 0.000 0.803 310 K CB -2.593 29.962 32.500 0.093 0.000 1.226 310 K HN 0.444 nan 8.250 nan 0.000 0.485 311 H N 0.866 119.996 119.070 0.099 0.000 2.582 311 H HA 0.187 4.742 4.556 -0.001 0.000 0.345 311 H C 0.237 175.590 175.328 0.042 0.000 1.104 311 H CA -0.454 55.653 56.048 0.097 0.000 1.390 311 H CB 0.798 30.663 29.762 0.172 0.000 1.461 311 H HN 0.075 nan 8.280 nan 0.000 0.551 312 E N 2.910 123.181 120.200 0.117 0.000 2.046 312 E HA 0.155 4.505 4.350 -0.001 0.000 0.279 312 E C -0.639 175.988 176.600 0.045 0.000 0.989 312 E CA -0.535 55.898 56.400 0.055 0.000 0.798 312 E CB 1.508 31.220 29.700 0.020 0.000 1.086 312 E HN 0.231 nan 8.360 nan 0.000 0.399 313 V N 6.269 126.208 119.914 0.043 0.000 2.470 313 V HA 0.115 4.234 4.120 -0.001 0.000 0.276 313 V C -1.505 174.580 176.094 -0.015 0.000 1.040 313 V CA -1.387 60.929 62.300 0.025 0.000 1.008 313 V CB 0.237 32.069 31.823 0.014 0.000 0.990 313 V HN 0.608 nan 8.190 nan 0.000 0.477 314 P HA 0.134 nan 4.420 nan 0.000 0.271 314 P C -0.694 176.570 177.300 -0.060 0.000 1.218 314 P CA -0.497 62.578 63.100 -0.041 0.000 0.780 314 P CB 0.826 32.498 31.700 -0.046 0.000 0.901 315 K N 3.767 124.126 120.400 -0.068 0.000 2.267 315 K HA 0.378 4.698 4.320 -0.001 0.000 0.282 315 K C -1.057 175.480 176.600 -0.105 0.000 1.078 315 K CA -0.382 55.847 56.287 -0.097 0.000 0.903 315 K CB -0.093 32.353 32.500 -0.090 0.000 1.111 315 K HN 0.492 nan 8.250 nan 0.000 0.475 316 L N 3.443 124.587 121.223 -0.131 0.000 2.445 316 L HA 0.359 4.698 4.340 -0.001 0.000 0.262 316 L C -0.624 176.097 176.870 -0.250 0.000 0.974 316 L CA -1.212 53.534 54.840 -0.157 0.000 0.822 316 L CB 2.284 44.313 42.059 -0.050 0.000 1.339 316 L HN 0.641 nan 8.230 nan 0.000 0.409 317 N N 1.060 119.478 118.700 -0.470 0.000 2.445 317 N HA 0.423 5.162 4.740 -0.001 0.000 0.264 317 N C -0.288 174.988 175.510 -0.389 0.000 1.227 317 N CA -0.641 51.992 53.050 -0.695 0.000 0.963 317 N CB 1.104 38.397 38.487 -1.990 0.000 1.188 317 N HN 0.514 nan 8.380 nan 0.000 0.491 318 I N 2.014 122.461 120.570 -0.206 0.000 2.752 318 I HA 0.036 4.205 4.170 -0.001 0.000 0.289 318 I C -1.812 174.326 176.117 0.035 0.000 1.197 318 I CA -1.412 59.863 61.300 -0.041 0.000 1.432 318 I CB 0.697 38.750 38.000 0.089 0.000 1.359 318 I HN 0.467 nan 8.210 nan 0.000 0.571 319 P HA 0.069 nan 4.420 nan 0.000 0.244 319 P C -0.923 176.335 177.300 -0.069 0.000 1.723 319 P CA 0.460 63.496 63.100 -0.107 0.000 1.110 319 P CB -0.179 31.215 31.700 -0.510 0.000 1.972 320 M N 1.494 121.167 119.600 0.122 0.000 2.321 320 M HA 0.571 5.050 4.480 -0.001 0.000 0.315 320 M C 0.529 176.780 176.300 -0.083 0.000 1.052 320 M CA 0.169 55.458 55.300 -0.018 0.000 0.936 320 M CB 2.487 35.099 32.600 0.019 0.000 1.639 320 M HN 0.383 nan 8.290 nan 0.000 0.433 321 G N 1.310 109.913 108.800 -0.327 0.000 2.712 321 G HA2 -0.169 3.790 3.960 -0.001 0.000 0.683 321 G HA3 -0.169 3.790 3.960 -0.001 0.000 0.683 321 G C -0.376 174.500 174.900 -0.041 0.000 1.320 321 G CA -0.488 44.442 45.100 -0.282 0.000 0.847 321 G HN 0.688 nan 8.290 nan 0.000 0.553 322 L N 0.036 121.321 121.223 0.103 0.000 2.005 322 L HA 0.129 4.468 4.340 -0.001 0.000 0.207 322 L C 2.445 179.424 176.870 0.182 0.000 1.072 322 L CA 3.053 57.999 54.840 0.178 0.000 0.744 322 L CB -0.789 41.354 42.059 0.139 0.000 0.895 322 L HN 0.652 nan 8.230 nan 0.000 0.433 323 D N -1.339 119.123 120.400 0.103 0.000 2.117 323 D HA -0.206 4.433 4.640 -0.001 0.000 0.198 323 D C 2.053 178.558 176.300 0.342 0.000 0.982 323 D CA 1.163 55.260 54.000 0.161 0.000 0.828 323 D CB -0.393 40.460 40.800 0.089 0.000 0.967 323 D HN 0.389 nan 8.370 nan 0.000 0.464 324 W N 1.399 122.738 121.300 0.065 0.000 2.388 324 W HA -0.026 4.633 4.660 -0.001 0.000 0.294 324 W C 2.402 178.947 176.519 0.044 0.000 1.212 324 W CA 0.683 58.057 57.345 0.049 0.000 1.271 324 W CB -1.377 28.097 29.460 0.023 0.000 1.126 324 W HN -0.035 nan 8.180 nan 0.000 0.535 325 T N 0.076 114.762 114.554 0.220 0.000 2.821 325 T HA -0.151 4.198 4.350 -0.001 0.000 0.267 325 T C 1.234 176.011 174.700 0.130 0.000 1.046 325 T CA 1.712 63.836 62.100 0.040 0.000 1.139 325 T CB -0.284 68.432 68.868 -0.252 0.000 0.871 325 T HN -0.047 nan 8.240 nan 0.000 0.454 326 D N 1.131 121.664 120.400 0.223 0.000 2.117 326 D HA -0.071 4.569 4.640 -0.001 0.000 0.197 326 D C 2.193 178.591 176.300 0.163 0.000 0.987 326 D CA 1.050 55.182 54.000 0.221 0.000 0.829 326 D CB -0.202 40.722 40.800 0.207 0.000 0.961 326 D HN 0.487 nan 8.370 nan 0.000 0.460 327 E N -0.596 119.712 120.200 0.181 0.000 2.077 327 E HA -0.146 4.203 4.350 -0.001 0.000 0.193 327 E C 1.877 178.538 176.600 0.102 0.000 0.989 327 E CA 0.438 56.918 56.400 0.133 0.000 0.800 327 E CB -0.145 29.644 29.700 0.148 0.000 0.746 327 E HN 0.257 nan 8.360 nan 0.000 0.452 328 F N 1.009 120.954 119.950 -0.008 0.000 2.146 328 F HA -0.129 4.397 4.527 -0.001 0.000 0.298 328 F C 1.763 177.536 175.800 -0.045 0.000 1.096 328 F CA 1.149 59.120 58.000 -0.047 0.000 1.275 328 F CB -0.037 38.920 39.000 -0.071 0.000 1.008 328 F HN -0.086 nan 8.300 nan 0.000 0.480 329 L N -0.316 120.907 121.223 -0.001 0.000 2.056 329 L HA -0.227 4.113 4.340 -0.001 0.000 0.207 329 L C 2.569 179.374 176.870 -0.109 0.000 1.078 329 L CA 1.480 56.270 54.840 -0.083 0.000 0.749 329 L CB -0.650 41.441 42.059 0.053 0.000 0.901 329 L HN 0.218 nan 8.230 nan 0.000 0.433 330 M N -0.562 119.012 119.600 -0.044 0.000 2.117 330 M HA -0.209 4.270 4.480 -0.001 0.000 0.262 330 M C 2.359 178.608 176.300 -0.085 0.000 1.065 330 M CA 1.538 56.816 55.300 -0.036 0.000 1.114 330 M CB -0.240 32.364 32.600 0.006 0.000 1.361 330 M HN -0.001 nan 8.290 nan 0.000 0.408 331 K N 0.457 120.783 120.400 -0.123 0.000 2.057 331 K HA -0.082 4.238 4.320 -0.001 0.000 0.207 331 K C 1.596 178.074 176.600 -0.203 0.000 1.049 331 K CA 1.311 57.509 56.287 -0.149 0.000 0.931 331 K CB -0.598 31.808 32.500 -0.157 0.000 0.714 331 K HN 0.116 nan 8.250 nan 0.000 0.440 332 V N 0.136 119.854 119.914 -0.327 0.000 2.407 332 V HA -0.211 3.908 4.120 -0.001 0.000 0.248 332 V C 2.345 178.336 176.094 -0.171 0.000 1.055 332 V CA 2.037 64.148 62.300 -0.315 0.000 1.049 332 V CB -0.447 31.095 31.823 -0.468 0.000 0.662 332 V HN 0.450 nan 8.190 nan 0.000 0.455 333 S N -0.921 114.696 115.700 -0.137 0.000 2.368 333 S HA -0.246 4.223 4.470 -0.001 0.000 0.225 333 S C 2.114 176.675 174.600 -0.064 0.000 1.030 333 S CA 1.946 60.099 58.200 -0.077 0.000 0.999 333 S CB -0.262 62.908 63.200 -0.051 0.000 0.844 333 S HN 0.723 nan 8.310 nan 0.000 0.459 334 E N 0.298 120.457 120.200 -0.069 0.000 2.072 334 E HA -0.122 4.227 4.350 -0.001 0.000 0.191 334 E C 2.021 178.586 176.600 -0.058 0.000 0.985 334 E CA 1.318 57.686 56.400 -0.054 0.000 0.801 334 E CB -0.221 29.449 29.700 -0.050 0.000 0.750 334 E HN 0.625 nan 8.360 nan 0.000 0.452 335 I N 1.273 121.798 120.570 -0.076 0.000 2.202 335 I HA -0.248 3.921 4.170 -0.001 0.000 0.242 335 I C 2.830 178.912 176.117 -0.058 0.000 1.091 335 I CA 1.333 62.591 61.300 -0.070 0.000 1.368 335 I CB -0.373 37.575 38.000 -0.086 0.000 1.058 335 I HN 0.145 nan 8.210 nan 0.000 0.410 336 S N 0.541 116.206 115.700 -0.058 0.000 2.368 336 S HA -0.005 4.464 4.470 -0.001 0.000 0.224 336 S C 1.937 176.520 174.600 -0.028 0.000 1.029 336 S CA 0.969 59.146 58.200 -0.037 0.000 0.988 336 S CB -0.323 62.858 63.200 -0.032 0.000 0.838 336 S HN 0.631 nan 8.310 nan 0.000 0.462 337 G N 0.077 108.858 108.800 -0.032 0.000 2.175 337 G HA2 -0.197 3.763 3.960 -0.001 0.000 0.244 337 G HA3 -0.197 3.763 3.960 -0.001 0.000 0.244 337 G C -0.056 174.834 174.900 -0.017 0.000 0.982 337 G CA 0.156 45.242 45.100 -0.023 0.000 0.641 337 G HN 0.567 nan 8.290 nan 0.000 0.527 338 Q N 1.315 121.104 119.800 -0.017 0.000 2.261 338 Q HA 0.384 4.724 4.340 -0.001 0.000 0.252 338 Q C -2.110 173.883 176.000 -0.012 0.000 0.915 338 Q CA -1.387 54.411 55.803 -0.010 0.000 0.915 338 Q CB 2.080 30.816 28.738 -0.004 0.000 1.204 338 Q HN 0.378 nan 8.270 nan 0.000 0.421 339 P HA 0.207 nan 4.420 nan 0.000 0.276 339 P C -0.319 176.984 177.300 0.006 0.000 1.244 339 P CA -0.250 62.850 63.100 -0.000 0.000 0.801 339 P CB 0.947 32.650 31.700 0.004 0.000 1.006 340 I N 3.738 124.315 120.570 0.012 0.000 2.396 340 I HA 0.158 4.327 4.170 -0.001 0.000 0.289 340 I C -1.214 174.921 176.117 0.030 0.000 1.056 340 I CA -1.974 59.341 61.300 0.025 0.000 1.365 340 I CB 0.676 38.699 38.000 0.039 0.000 1.407 340 I HN 0.279 nan 8.210 nan 0.000 0.509 341 P HA 0.087 nan 4.420 nan 0.000 0.272 341 P C 0.285 177.606 177.300 0.035 0.000 1.240 341 P CA -0.316 62.803 63.100 0.031 0.000 0.791 341 P CB 1.119 32.838 31.700 0.031 0.000 0.978 342 A N 1.711 124.547 122.820 0.027 0.000 1.933 342 A HA -0.157 4.162 4.320 -0.001 0.000 0.218 342 A C 2.288 179.889 177.584 0.027 0.000 1.175 342 A CA 2.115 54.165 52.037 0.023 0.000 0.628 342 A CB -1.655 17.355 19.000 0.016 0.000 0.814 342 A HN 0.695 nan 8.150 nan 0.000 0.444 343 S N 0.345 116.064 115.700 0.032 0.000 2.356 343 S HA -0.125 4.344 4.470 -0.001 0.000 0.223 343 S C 1.857 176.490 174.600 0.055 0.000 1.032 343 S CA 1.508 59.730 58.200 0.036 0.000 1.005 343 S CB -0.761 62.461 63.200 0.035 0.000 0.867 343 S HN 0.447 nan 8.310 nan 0.000 0.449 344 L N 1.120 122.389 121.223 0.076 0.000 2.141 344 L HA -0.066 4.273 4.340 -0.001 0.000 0.209 344 L C 2.838 179.791 176.870 0.138 0.000 1.094 344 L CA 1.441 56.363 54.840 0.136 0.000 0.763 344 L CB -1.103 41.044 42.059 0.147 0.000 0.908 344 L HN 0.388 nan 8.230 nan 0.000 0.437 345 T N -0.764 113.835 114.554 0.075 0.000 2.867 345 T HA -0.205 4.145 4.350 -0.001 0.000 0.268 345 T C 1.902 176.587 174.700 -0.024 0.000 1.057 345 T CA 1.202 63.319 62.100 0.028 0.000 1.136 345 T CB 0.005 68.888 68.868 0.024 0.000 0.874 345 T HN 0.211 nan 8.240 nan 0.000 0.466 346 K N 1.118 121.514 120.400 -0.006 0.000 2.097 346 K HA -0.079 4.241 4.320 -0.001 0.000 0.205 346 K C 2.297 178.867 176.600 -0.051 0.000 1.050 346 K CA 1.280 57.553 56.287 -0.024 0.000 0.938 346 K CB -0.011 32.486 32.500 -0.004 0.000 0.718 346 K HN 0.353 nan 8.250 nan 0.000 0.442 347 E N 0.487 120.671 120.200 -0.026 0.000 2.077 347 E HA -0.251 4.098 4.350 -0.001 0.000 0.193 347 E C 2.144 178.592 176.600 -0.253 0.000 0.989 347 E CA 1.119 57.500 56.400 -0.031 0.000 0.800 347 E CB -0.017 29.765 29.700 0.135 0.000 0.746 347 E HN 0.236 nan 8.360 nan 0.000 0.452 348 R N -0.173 120.019 120.500 -0.514 0.000 2.081 348 R HA -0.117 4.222 4.340 -0.001 0.000 0.235 348 R C 2.353 178.406 176.300 -0.411 0.000 1.131 348 R CA 1.600 57.132 56.100 -0.947 0.000 0.960 348 R CB -0.592 29.215 30.300 -0.821 0.000 0.856 348 R HN 0.257 nan 8.270 nan 0.000 0.436 349 G N 0.562 109.224 108.800 -0.230 0.000 2.440 349 G HA2 -0.284 3.675 3.960 -0.001 0.000 0.218 349 G HA3 -0.284 3.675 3.960 -0.001 0.000 0.218 349 G C 1.458 176.297 174.900 -0.103 0.000 1.154 349 G CA 0.775 45.798 45.100 -0.129 0.000 0.767 349 G HN 0.334 nan 8.290 nan 0.000 0.552 350 R N -0.749 119.690 120.500 -0.101 0.000 2.075 350 R HA 0.041 4.380 4.340 -0.001 0.000 0.232 350 R C 2.446 178.711 176.300 -0.059 0.000 1.126 350 R CA 0.973 57.036 56.100 -0.062 0.000 0.963 350 R CB -0.472 29.801 30.300 -0.045 0.000 0.858 350 R HN 0.365 nan 8.270 nan 0.000 0.435 351 L N 0.759 121.922 121.223 -0.100 0.000 2.046 351 L HA -0.131 4.208 4.340 -0.001 0.000 0.208 351 L C 1.951 178.804 176.870 -0.029 0.000 1.077 351 L CA 1.660 56.466 54.840 -0.057 0.000 0.747 351 L CB -0.452 41.542 42.059 -0.108 0.000 0.896 351 L HN -0.083 nan 8.230 nan 0.000 0.432 352 V N 0.080 119.955 119.914 -0.066 0.000 2.343 352 V HA -0.298 3.821 4.120 -0.001 0.000 0.247 352 V C 2.375 178.458 176.094 -0.018 0.000 1.051 352 V CA 1.934 64.212 62.300 -0.038 0.000 1.036 352 V CB -0.865 30.924 31.823 -0.056 0.000 0.654 352 V HN 0.586 nan 8.190 nan 0.000 0.451 353 D N -0.356 120.030 120.400 -0.023 0.000 2.117 353 D HA -0.220 4.419 4.640 -0.001 0.000 0.197 353 D C 2.143 178.449 176.300 0.011 0.000 0.987 353 D CA 1.612 55.608 54.000 -0.007 0.000 0.829 353 D CB -0.136 40.656 40.800 -0.012 0.000 0.961 353 D HN 0.372 nan 8.370 nan 0.000 0.460 354 M N -0.689 118.918 119.600 0.012 0.000 2.229 354 M HA -0.079 4.401 4.480 -0.001 0.000 0.264 354 M C 2.179 178.504 176.300 0.042 0.000 1.063 354 M CA 1.026 56.342 55.300 0.028 0.000 1.114 354 M CB -0.108 32.510 32.600 0.030 0.000 1.387 354 M HN 0.178 nan 8.290 nan 0.000 0.420 355 M N -0.467 119.156 119.600 0.038 0.000 2.132 355 M HA -0.147 4.333 4.480 -0.001 0.000 0.263 355 M C 2.368 178.708 176.300 0.067 0.000 1.065 355 M CA 2.087 57.409 55.300 0.036 0.000 1.122 355 M CB -0.673 31.934 32.600 0.012 0.000 1.365 355 M HN 0.410 nan 8.290 nan 0.000 0.411 356 T N -2.056 112.533 114.554 0.057 0.000 2.777 356 T HA -0.130 4.219 4.350 -0.001 0.000 0.266 356 T C 1.352 176.158 174.700 0.176 0.000 1.040 356 T CA 1.494 63.657 62.100 0.106 0.000 1.141 356 T CB -0.567 68.325 68.868 0.040 0.000 0.868 356 T HN 0.209 nan 8.240 nan 0.000 0.444 357 D N 1.582 122.035 120.400 0.088 0.000 2.117 357 D HA 0.002 4.642 4.640 -0.001 0.000 0.197 357 D C 1.995 178.323 176.300 0.046 0.000 0.987 357 D CA 1.174 55.209 54.000 0.059 0.000 0.829 357 D CB -0.351 40.474 40.800 0.042 0.000 0.961 357 D HN 0.409 nan 8.370 nan 0.000 0.460 358 S N -0.449 115.289 115.700 0.064 0.000 2.557 358 S HA -0.029 4.440 4.470 -0.001 0.000 0.223 358 S C 1.523 176.153 174.600 0.050 0.000 0.969 358 S CA -0.427 57.818 58.200 0.075 0.000 0.927 358 S CB -0.071 63.180 63.200 0.084 0.000 0.806 358 S HN 0.460 nan 8.310 nan 0.000 0.489 359 H N 1.696 120.766 119.070 -0.001 0.000 2.353 359 H HA -0.115 4.441 4.556 -0.001 0.000 0.300 359 H C 2.153 177.466 175.328 -0.026 0.000 1.090 359 H CA 1.951 57.985 56.048 -0.023 0.000 1.327 359 H CB -0.950 28.782 29.762 -0.051 0.000 1.383 359 H HN 0.466 nan 8.280 nan 0.000 0.508 360 T N -1.622 112.495 114.554 -0.729 0.000 2.746 360 T HA -0.203 4.146 4.350 -0.001 0.000 0.267 360 T C 1.980 176.463 174.700 -0.362 0.000 1.039 360 T CA 1.409 63.167 62.100 -0.570 0.000 1.142 360 T CB -0.948 67.463 68.868 -0.761 0.000 0.866 360 T HN 0.561 nan 8.240 nan 0.000 0.444 361 W N 0.934 122.188 121.300 -0.078 0.000 2.381 361 W HA 0.281 4.941 4.660 -0.001 0.000 0.301 361 W C 2.409 178.948 176.519 0.034 0.000 1.205 361 W CA -0.107 57.229 57.345 -0.015 0.000 1.285 361 W CB -0.310 29.134 29.460 -0.026 0.000 1.133 361 W HN 0.198 nan 8.180 nan 0.000 0.521 362 L N -0.768 120.589 121.223 0.223 0.000 2.141 362 L HA -0.136 4.204 4.340 -0.001 0.000 0.209 362 L C 1.552 178.504 176.870 0.138 0.000 1.094 362 L CA 0.557 55.496 54.840 0.165 0.000 0.763 362 L CB -0.867 41.238 42.059 0.076 0.000 0.908 362 L HN 0.008 nan 8.230 nan 0.000 0.437 363 H N 0.447 119.542 119.070 0.041 0.000 3.070 363 H HA 0.004 4.559 4.556 -0.001 0.000 0.313 363 H C 1.078 176.453 175.328 0.079 0.000 0.997 363 H CA 1.065 57.136 56.048 0.038 0.000 1.438 363 H CB 0.728 30.523 29.762 0.054 0.000 1.455 363 H HN 0.354 nan 8.280 nan 0.000 0.575 364 G N 4.786 113.287 108.800 -0.498 0.000 2.184 364 G HA2 -0.252 3.708 3.960 -0.001 0.000 0.264 364 G HA3 -0.252 3.708 3.960 -0.001 0.000 0.264 364 G C 0.272 175.136 174.900 -0.059 0.000 0.975 364 G CA 0.167 45.108 45.100 -0.264 0.000 0.642 364 G HN 0.548 nan 8.290 nan 0.000 0.536 365 K N 0.619 121.025 120.400 0.009 0.000 2.401 365 K HA 0.320 4.640 4.320 -0.001 0.000 0.278 365 K C 0.815 177.376 176.600 -0.066 0.000 1.018 365 K CA -0.016 56.261 56.287 -0.017 0.000 0.981 365 K CB 0.596 33.133 32.500 0.062 0.000 0.933 365 K HN 0.427 nan 8.250 nan 0.000 0.477 366 R N 2.206 122.579 120.500 -0.212 0.000 2.294 366 R HA 0.387 4.727 4.340 -0.001 0.000 0.319 366 R C -0.559 175.561 176.300 -0.299 0.000 0.984 366 R CA -0.359 55.651 56.100 -0.149 0.000 0.861 366 R CB 0.613 30.836 30.300 -0.128 0.000 1.104 366 R HN 0.335 nan 8.270 nan 0.000 0.451 367 F N 0.757 120.737 119.950 0.050 0.000 2.532 367 F HA 0.606 5.132 4.527 -0.001 0.000 0.321 367 F C 0.049 175.918 175.800 0.115 0.000 1.089 367 F CA -0.936 57.128 58.000 0.106 0.000 0.926 367 F CB 2.159 41.218 39.000 0.098 0.000 1.168 367 F HN 0.468 nan 8.300 nan 0.000 0.459 368 A N 4.379 127.433 122.820 0.390 0.000 2.304 368 A HA 0.874 5.193 4.320 -0.001 0.000 0.314 368 A C -1.178 176.674 177.584 0.447 0.000 1.187 368 A CA -0.581 51.706 52.037 0.416 0.000 0.810 368 A CB 0.734 19.997 19.000 0.438 0.000 1.183 368 A HN 0.851 nan 8.150 nan 0.000 0.487 369 L N -0.082 121.395 121.223 0.424 0.000 2.393 369 L HA 1.071 5.411 4.340 -0.001 0.000 0.260 369 L C -1.086 176.075 176.870 0.484 0.000 1.002 369 L CA -0.958 54.094 54.840 0.353 0.000 0.818 369 L CB 1.846 44.005 42.059 0.166 0.000 1.369 369 L HN 0.924 nan 8.230 nan 0.000 0.412 370 W N 1.311 122.761 121.300 0.250 0.000 3.083 370 W HA 0.977 5.636 4.660 -0.001 0.000 0.333 370 W C -0.495 176.204 176.519 0.300 0.000 1.217 370 W CA -0.051 57.444 57.345 0.250 0.000 1.170 370 W CB 1.212 30.787 29.460 0.191 0.000 1.437 370 W HN 0.938 nan 8.180 nan 0.000 0.557 371 G N 0.629 109.684 108.800 0.425 0.000 2.356 371 G HA2 0.232 4.192 3.960 -0.001 0.000 0.281 371 G HA3 0.232 4.192 3.960 -0.001 0.000 0.281 371 G C -1.703 173.355 174.900 0.263 0.000 1.246 371 G CA -0.878 44.409 45.100 0.311 0.000 0.889 371 G HN 0.532 nan 8.290 nan 0.000 0.486 372 D N 1.206 121.734 120.400 0.214 0.000 2.329 372 D HA 0.390 5.030 4.640 -0.001 0.000 0.246 372 D C -0.929 175.393 176.300 0.036 0.000 1.111 372 D CA -1.357 52.696 54.000 0.087 0.000 0.941 372 D CB 2.025 42.869 40.800 0.074 0.000 1.169 372 D HN 0.047 nan 8.370 nan 0.000 0.441 373 P HA -0.142 nan 4.420 nan 0.000 0.217 373 P C 0.326 177.658 177.300 0.053 0.000 1.150 373 P CA 1.320 64.099 63.100 -0.535 0.000 0.832 373 P CB 0.451 31.386 31.700 -1.275 0.000 0.787 374 D N -0.903 119.633 120.400 0.228 0.000 2.117 374 D HA -0.129 4.510 4.640 -0.001 0.000 0.198 374 D C 1.746 178.253 176.300 0.345 0.000 0.982 374 D CA 0.852 55.069 54.000 0.360 0.000 0.828 374 D CB -0.777 40.219 40.800 0.327 0.000 0.967 374 D HN 0.099 nan 8.370 nan 0.000 0.464 375 F N 0.886 120.950 119.950 0.190 0.000 2.134 375 F HA -0.174 4.353 4.527 -0.001 0.000 0.299 375 F C 1.920 177.829 175.800 0.181 0.000 1.097 375 F CA 0.992 59.089 58.000 0.162 0.000 1.264 375 F CB -0.315 38.761 39.000 0.127 0.000 1.001 375 F HN -0.179 nan 8.300 nan 0.000 0.479 376 V N 1.113 121.135 119.914 0.180 0.000 2.358 376 V HA -0.342 3.777 4.120 -0.001 0.000 0.246 376 V C 2.518 178.710 176.094 0.163 0.000 1.047 376 V CA 2.175 64.560 62.300 0.141 0.000 1.035 376 V CB -0.666 31.387 31.823 0.384 0.000 0.658 376 V HN 0.589 nan 8.190 nan 0.000 0.452 377 M N 0.640 120.451 119.600 0.351 0.000 2.117 377 M HA -0.100 4.380 4.480 -0.001 0.000 0.262 377 M C 2.000 178.468 176.300 0.281 0.000 1.065 377 M CA 2.437 57.951 55.300 0.357 0.000 1.114 377 M CB -0.638 32.265 32.600 0.506 0.000 1.361 377 M HN 0.326 nan 8.290 nan 0.000 0.408 378 G N 0.520 109.484 108.800 0.274 0.000 2.402 378 G HA2 -0.196 3.764 3.960 -0.001 0.000 0.216 378 G HA3 -0.196 3.764 3.960 -0.001 0.000 0.216 378 G C 1.317 176.157 174.900 -0.100 0.000 1.162 378 G CA 0.784 45.997 45.100 0.189 0.000 0.777 378 G HN 0.421 nan 8.290 nan 0.000 0.539 379 L N 0.744 121.839 121.223 -0.215 0.000 2.056 379 L HA 0.042 4.381 4.340 -0.001 0.000 0.207 379 L C 3.018 179.798 176.870 -0.151 0.000 1.078 379 L CA 1.142 55.836 54.840 -0.242 0.000 0.749 379 L CB -0.632 41.157 42.059 -0.449 0.000 0.901 379 L HN 0.099 nan 8.230 nan 0.000 0.433 380 V N -0.282 119.563 119.914 -0.116 0.000 2.343 380 V HA -0.307 3.812 4.120 -0.001 0.000 0.247 380 V C 2.623 178.622 176.094 -0.159 0.000 1.051 380 V CA 1.979 64.222 62.300 -0.094 0.000 1.036 380 V CB -0.579 31.226 31.823 -0.029 0.000 0.654 380 V HN 0.474 nan 8.190 nan 0.000 0.451 381 K N 0.012 120.261 120.400 -0.251 0.000 2.057 381 K HA -0.189 4.131 4.320 -0.001 0.000 0.207 381 K C 1.940 178.367 176.600 -0.289 0.000 1.049 381 K CA 1.727 57.763 56.287 -0.419 0.000 0.931 381 K CB -0.552 31.315 32.500 -1.054 0.000 0.714 381 K HN 0.320 nan 8.250 nan 0.000 0.440 382 F N 1.076 120.800 119.950 -0.377 0.000 2.146 382 F HA -0.012 4.515 4.527 -0.001 0.000 0.298 382 F C 1.515 177.167 175.800 -0.246 0.000 1.096 382 F CA 1.237 59.063 58.000 -0.290 0.000 1.275 382 F CB -0.347 38.503 39.000 -0.250 0.000 1.008 382 F HN -0.011 nan 8.300 nan 0.000 0.480 383 L N -0.435 120.569 121.223 -0.366 0.000 2.046 383 L HA -0.258 4.082 4.340 -0.001 0.000 0.208 383 L C 2.521 179.174 176.870 -0.362 0.000 1.077 383 L CA 1.272 55.852 54.840 -0.432 0.000 0.747 383 L CB -0.853 41.017 42.059 -0.315 0.000 0.896 383 L HN 0.173 nan 8.230 nan 0.000 0.432 384 L N -0.585 120.485 121.223 -0.255 0.000 2.141 384 L HA -0.189 4.150 4.340 -0.001 0.000 0.209 384 L C 2.442 179.151 176.870 -0.269 0.000 1.094 384 L CA 1.123 55.845 54.840 -0.196 0.000 0.763 384 L CB -0.426 41.574 42.059 -0.099 0.000 0.908 384 L HN 0.298 nan 8.230 nan 0.000 0.437 385 E N 0.022 120.050 120.200 -0.285 0.000 2.204 385 E HA -0.149 4.201 4.350 -0.001 0.000 0.194 385 E C 2.036 178.435 176.600 -0.336 0.000 0.989 385 E CA 0.783 57.035 56.400 -0.246 0.000 0.824 385 E CB 0.052 29.661 29.700 -0.151 0.000 0.756 385 E HN 0.508 nan 8.360 nan 0.000 0.477 386 L N -0.608 120.324 121.223 -0.484 0.000 2.591 386 L HA 0.155 4.494 4.340 -0.001 0.000 0.228 386 L C 1.352 177.973 176.870 -0.415 0.000 1.133 386 L CA 0.334 54.907 54.840 -0.445 0.000 0.880 386 L CB 0.090 41.817 42.059 -0.554 0.000 1.033 386 L HN 0.270 nan 8.230 nan 0.000 0.450 387 G N -0.419 108.004 108.800 -0.627 0.000 2.148 387 G HA2 -0.266 3.693 3.960 -0.001 0.000 0.254 387 G HA3 -0.266 3.693 3.960 -0.001 0.000 0.254 387 G C 0.304 174.741 174.900 -0.772 0.000 0.981 387 G CA 0.090 44.482 45.100 -1.180 0.000 0.670 387 G HN 0.350 nan 8.290 nan 0.000 0.528 388 C N 0.466 119.542 119.300 -0.374 0.000 2.500 388 C HA 0.596 5.055 4.460 -0.001 0.000 0.367 388 C C 0.741 175.742 174.990 0.017 0.000 1.283 388 C CA -0.578 58.392 59.018 -0.080 0.000 2.456 388 C CB 1.172 28.943 27.740 0.052 0.000 2.457 388 C HN 0.486 nan 8.230 nan 0.000 0.632 389 E N 2.779 123.056 120.200 0.128 0.000 2.073 389 E HA 0.225 4.574 4.350 -0.001 0.000 0.269 389 E C -2.399 174.293 176.600 0.153 0.000 0.917 389 E CA -1.279 55.197 56.400 0.127 0.000 0.757 389 E CB 1.291 31.036 29.700 0.075 0.000 1.111 389 E HN 0.445 nan 8.360 nan 0.000 0.410 390 P HA 0.046 nan 4.420 nan 0.000 0.280 390 P C 0.921 178.272 177.300 0.085 0.000 1.386 390 P CA -0.090 63.097 63.100 0.144 0.000 0.899 390 P CB 1.021 32.779 31.700 0.096 0.000 1.098 391 V N 3.126 123.048 119.914 0.014 0.000 2.270 391 V HA -0.116 4.003 4.120 -0.001 0.000 0.245 391 V C 1.048 177.096 176.094 -0.077 0.000 1.043 391 V CA 1.546 63.753 62.300 -0.155 0.000 1.014 391 V CB -1.285 30.239 31.823 -0.498 0.000 0.645 391 V HN 0.568 nan 8.190 nan 0.000 0.447 392 H N -0.182 119.014 119.070 0.211 0.000 2.587 392 H HA 0.606 5.161 4.556 -0.001 0.000 0.325 392 H C -0.721 174.784 175.328 0.295 0.000 1.012 392 H CA -0.811 55.398 56.048 0.268 0.000 1.213 392 H CB 1.507 31.374 29.762 0.175 0.000 1.431 392 H HN 0.242 nan 8.280 nan 0.000 0.492 393 I N 4.426 125.282 120.570 0.478 0.000 2.389 393 I HA 0.225 4.394 4.170 -0.001 0.000 0.288 393 I C -0.424 175.991 176.117 0.497 0.000 0.999 393 I CA -0.436 61.114 61.300 0.417 0.000 1.129 393 I CB 1.984 40.170 38.000 0.310 0.000 1.288 393 I HN 0.252 nan 8.210 nan 0.000 0.444 394 L N 7.375 128.875 121.223 0.462 0.000 2.349 394 L HA 0.597 4.936 4.340 -0.001 0.000 0.278 394 L C -1.237 175.879 176.870 0.411 0.000 0.996 394 L CA -0.253 54.842 54.840 0.425 0.000 0.825 394 L CB 1.514 43.743 42.059 0.283 0.000 1.243 394 L HN 0.736 nan 8.230 nan 0.000 0.412 395 C N 3.918 123.425 119.300 0.345 0.000 2.322 395 C HA 0.329 4.788 4.460 -0.001 0.000 0.324 395 C C 1.269 176.365 174.990 0.177 0.000 1.249 395 C CA -0.446 58.665 59.018 0.156 0.000 1.453 395 C CB 0.482 28.042 27.740 -0.300 0.000 2.145 395 C HN 1.090 nan 8.230 nan 0.000 0.466 396 H N 3.846 122.967 119.070 0.085 0.000 2.357 396 H HA -0.073 4.482 4.556 -0.001 0.000 0.301 396 H C 1.293 176.630 175.328 0.016 0.000 1.082 396 H CA 2.002 58.090 56.048 0.066 0.000 1.342 396 H CB 0.439 30.245 29.762 0.073 0.000 1.389 396 H HN 0.836 nan 8.280 nan 0.000 0.511 397 N N 0.462 119.167 118.700 0.008 0.000 2.313 397 N HA 0.093 4.833 4.740 -0.001 0.000 0.207 397 N C 0.448 175.872 175.510 -0.143 0.000 1.141 397 N CA 0.298 53.275 53.050 -0.121 0.000 0.830 397 N CB 0.122 38.492 38.487 -0.195 0.000 1.008 397 N HN 0.212 nan 8.380 nan 0.000 0.481 398 G N 0.175 108.882 108.800 -0.155 0.000 2.563 398 G HA2 0.413 4.372 3.960 -0.001 0.000 0.283 398 G HA3 0.413 4.372 3.960 -0.001 0.000 0.283 398 G C -0.125 174.788 174.900 0.021 0.000 1.309 398 G CA -0.536 44.412 45.100 -0.253 0.000 1.022 398 G HN 0.550 nan 8.290 nan 0.000 0.501 399 N N -2.629 116.165 118.700 0.157 0.000 2.831 399 N HA 0.268 5.007 4.740 -0.001 0.000 0.276 399 N C 0.512 176.172 175.510 0.251 0.000 1.416 399 N CA -0.940 52.234 53.050 0.207 0.000 0.799 399 N CB 1.502 40.110 38.487 0.202 0.000 1.554 399 N HN 0.319 nan 8.380 nan 0.000 0.541 400 K N -0.394 120.117 120.400 0.185 0.000 2.057 400 K HA 0.052 4.371 4.320 -0.001 0.000 0.206 400 K C 1.666 178.344 176.600 0.131 0.000 1.050 400 K CA 1.267 57.637 56.287 0.138 0.000 0.935 400 K CB -0.083 32.483 32.500 0.109 0.000 0.715 400 K HN 0.370 nan 8.250 nan 0.000 0.439 401 R N -0.597 120.024 120.500 0.202 0.000 2.075 401 R HA -0.154 4.185 4.340 -0.001 0.000 0.232 401 R C 1.824 178.193 176.300 0.114 0.000 1.126 401 R CA 1.713 57.963 56.100 0.249 0.000 0.963 401 R CB -0.422 30.153 30.300 0.459 0.000 0.858 401 R HN 0.374 nan 8.270 nan 0.000 0.435 402 W N 1.888 123.028 121.300 -0.266 0.000 2.358 402 W HA -0.178 4.481 4.660 -0.001 0.000 0.303 402 W C 1.992 178.252 176.519 -0.432 0.000 1.208 402 W CA 1.544 58.332 57.345 -0.928 0.000 1.274 402 W CB -0.136 28.804 29.460 -0.867 0.000 1.138 402 W HN -0.030 nan 8.180 nan 0.000 0.515 403 K N 0.948 121.219 120.400 -0.214 0.000 2.057 403 K HA -0.264 4.055 4.320 -0.001 0.000 0.207 403 K C 2.235 178.626 176.600 -0.349 0.000 1.049 403 K CA 1.951 58.024 56.287 -0.356 0.000 0.931 403 K CB -0.478 32.009 32.500 -0.021 0.000 0.714 403 K HN 0.120 nan 8.250 nan 0.000 0.440 404 K N 0.028 120.315 120.400 -0.188 0.000 2.057 404 K HA -0.142 4.177 4.320 -0.001 0.000 0.207 404 K C 2.021 178.526 176.600 -0.158 0.000 1.049 404 K CA 1.284 57.502 56.287 -0.115 0.000 0.931 404 K CB -0.221 32.271 32.500 -0.014 0.000 0.714 404 K HN 0.285 nan 8.250 nan 0.000 0.440 405 A N 0.496 123.180 122.820 -0.225 0.000 1.902 405 A HA -0.128 4.191 4.320 -0.001 0.000 0.217 405 A C 2.217 179.651 177.584 -0.251 0.000 1.181 405 A CA 1.743 53.676 52.037 -0.173 0.000 0.623 405 A CB -0.616 18.296 19.000 -0.147 0.000 0.818 405 A HN 0.174 nan 8.150 nan 0.000 0.443 406 V N 0.514 120.112 119.914 -0.526 0.000 2.358 406 V HA -0.215 3.904 4.120 -0.001 0.000 0.246 406 V C 2.124 178.070 176.094 -0.247 0.000 1.047 406 V CA 2.126 64.152 62.300 -0.456 0.000 1.035 406 V CB -0.798 30.538 31.823 -0.811 0.000 0.658 406 V HN 0.495 nan 8.190 nan 0.000 0.452 407 D N 0.454 120.714 120.400 -0.234 0.000 2.178 407 D HA -0.137 4.502 4.640 -0.001 0.000 0.201 407 D C 2.220 178.469 176.300 -0.084 0.000 0.980 407 D CA 1.620 55.538 54.000 -0.137 0.000 0.842 407 D CB -0.094 40.633 40.800 -0.121 0.000 0.948 407 D HN 0.456 nan 8.370 nan 0.000 0.472 408 A N 0.939 123.715 122.820 -0.073 0.000 1.898 408 A HA -0.128 4.191 4.320 -0.001 0.000 0.216 408 A C 2.378 179.959 177.584 -0.005 0.000 1.181 408 A CA 0.748 52.771 52.037 -0.024 0.000 0.620 408 A CB -0.619 18.381 19.000 0.001 0.000 0.819 408 A HN 0.170 nan 8.150 nan 0.000 0.442 409 I N -0.316 120.250 120.570 -0.005 0.000 2.226 409 I HA -0.261 3.908 4.170 -0.001 0.000 0.245 409 I C 2.387 178.496 176.117 -0.013 0.000 1.100 409 I CA 1.173 62.484 61.300 0.019 0.000 1.374 409 I CB -0.353 37.663 38.000 0.026 0.000 1.057 409 I HN 0.308 nan 8.210 nan 0.000 0.413 410 L N 0.465 121.666 121.223 -0.036 0.000 2.046 410 L HA -0.182 4.158 4.340 -0.001 0.000 0.208 410 L C 2.829 179.687 176.870 -0.020 0.000 1.077 410 L CA 1.288 56.109 54.840 -0.030 0.000 0.747 410 L CB -0.680 41.353 42.059 -0.043 0.000 0.896 410 L HN 0.234 nan 8.230 nan 0.000 0.432 411 A N -0.053 122.754 122.820 -0.023 0.000 1.969 411 A HA -0.107 4.212 4.320 -0.001 0.000 0.218 411 A C 2.481 180.061 177.584 -0.007 0.000 1.169 411 A CA 1.489 53.515 52.037 -0.018 0.000 0.635 411 A CB -0.514 18.475 19.000 -0.019 0.000 0.810 411 A HN 0.402 nan 8.150 nan 0.000 0.445 412 A N -1.029 121.793 122.820 0.003 0.000 2.015 412 A HA 0.156 4.475 4.320 -0.001 0.000 0.219 412 A C 1.538 179.130 177.584 0.014 0.000 1.163 412 A CA 1.293 53.338 52.037 0.013 0.000 0.646 412 A CB -0.369 18.647 19.000 0.027 0.000 0.806 412 A HN 0.482 nan 8.150 nan 0.000 0.448 413 S N -0.639 115.070 115.700 0.015 0.000 2.451 413 S HA 0.470 4.939 4.470 -0.001 0.000 0.301 413 S C -1.526 173.079 174.600 0.009 0.000 1.116 413 S CA -1.584 56.639 58.200 0.040 0.000 1.093 413 S CB 1.431 64.676 63.200 0.075 0.000 1.017 413 S HN 0.166 nan 8.310 nan 0.000 0.482 414 P HA -0.112 nan 4.420 nan 0.000 0.222 414 P C 0.585 177.727 177.300 -0.263 0.000 1.147 414 P CA 1.137 64.138 63.100 -0.164 0.000 0.790 414 P CB -0.065 31.492 31.700 -0.237 0.000 0.780 415 Y N 0.835 121.113 120.300 -0.037 0.000 2.352 415 Y HA 0.056 4.605 4.550 -0.001 0.000 0.292 415 Y C 2.693 178.565 175.900 -0.047 0.000 1.136 415 Y CA 1.518 59.588 58.100 -0.050 0.000 1.227 415 Y CB -1.203 37.219 38.460 -0.063 0.000 0.991 415 Y HN -0.003 nan 8.280 nan 0.000 0.545 416 G N 0.368 109.202 108.800 0.057 0.000 3.279 416 G HA2 -0.064 3.895 3.960 -0.001 0.000 0.230 416 G HA3 -0.064 3.895 3.960 -0.001 0.000 0.230 416 G C 1.408 176.303 174.900 -0.009 0.000 1.230 416 G CA 0.085 45.197 45.100 0.021 0.000 0.891 416 G HN 0.500 nan 8.290 nan 0.000 0.518 417 K N 0.114 120.498 120.400 -0.028 0.000 2.057 417 K HA -0.030 4.290 4.320 -0.001 0.000 0.206 417 K C 1.444 178.028 176.600 -0.028 0.000 1.050 417 K CA 1.176 57.440 56.287 -0.039 0.000 0.935 417 K CB -0.136 32.326 32.500 -0.063 0.000 0.715 417 K HN 0.046 nan 8.250 nan 0.000 0.439 418 N N 1.094 119.781 118.700 -0.022 0.000 2.398 418 N HA 0.101 4.840 4.740 -0.001 0.000 0.188 418 N C -0.143 175.365 175.510 -0.003 0.000 1.122 418 N CA 0.516 53.555 53.050 -0.018 0.000 0.866 418 N CB 0.366 38.834 38.487 -0.031 0.000 0.970 418 N HN 0.334 nan 8.380 nan 0.000 0.462 419 A N 0.623 123.447 122.820 0.006 0.000 2.488 419 A HA 0.421 4.740 4.320 -0.001 0.000 0.249 419 A C 0.157 177.762 177.584 0.034 0.000 1.083 419 A CA 0.352 52.409 52.037 0.033 0.000 0.768 419 A CB 0.201 19.219 19.000 0.030 0.000 1.017 419 A HN 0.065 nan 8.150 nan 0.000 0.496 420 T N 2.111 116.724 114.554 0.099 0.000 2.881 420 T HA 0.467 4.816 4.350 -0.001 0.000 0.290 420 T C -0.612 174.129 174.700 0.069 0.000 1.000 420 T CA -0.349 61.758 62.100 0.011 0.000 0.978 420 T CB 1.405 70.254 68.868 -0.032 0.000 0.997 420 T HN 0.438 nan 8.240 nan 0.000 0.443 421 V N 4.290 124.163 119.914 -0.069 0.000 2.439 421 V HA 0.502 4.621 4.120 -0.001 0.000 0.282 421 V C -1.142 174.960 176.094 0.014 0.000 1.039 421 V CA -0.605 61.737 62.300 0.071 0.000 0.913 421 V CB 0.508 32.312 31.823 -0.033 0.000 0.983 421 V HN 0.772 nan 8.190 nan 0.000 0.460 422 Y N 4.941 125.362 120.300 0.202 0.000 2.446 422 Y HA 0.755 5.304 4.550 -0.001 0.000 0.345 422 Y C 0.187 176.224 175.900 0.228 0.000 0.984 422 Y CA -1.160 57.051 58.100 0.185 0.000 1.058 422 Y CB 1.759 40.330 38.460 0.184 0.000 1.220 422 Y HN 0.583 nan 8.280 nan 0.000 0.455 423 I N -1.451 119.319 120.570 0.334 0.000 2.730 423 I HA 0.853 5.023 4.170 -0.001 0.000 0.298 423 I C 0.702 176.953 176.117 0.223 0.000 1.089 423 I CA -1.076 60.393 61.300 0.282 0.000 1.041 423 I CB 2.289 40.453 38.000 0.272 0.000 1.235 423 I HN 0.720 nan 8.210 nan 0.000 0.423 424 G N 2.932 111.881 108.800 0.249 0.000 2.162 424 G HA2 -0.207 3.753 3.960 -0.001 0.000 0.260 424 G HA3 -0.207 3.753 3.960 -0.001 0.000 0.260 424 G C -0.029 174.956 174.900 0.142 0.000 0.976 424 G CA 0.013 45.274 45.100 0.267 0.000 0.655 424 G HN 0.673 nan 8.290 nan 0.000 0.533 425 K N 1.347 121.770 120.400 0.038 0.000 2.206 425 K HA 0.478 4.798 4.320 -0.001 0.000 0.264 425 K C 0.059 176.543 176.600 -0.193 0.000 0.967 425 K CA -0.289 55.959 56.287 -0.066 0.000 0.844 425 K CB 1.901 34.289 32.500 -0.188 0.000 1.099 425 K HN 0.445 nan 8.250 nan 0.000 0.441 426 D N 0.809 121.133 120.400 -0.127 0.000 2.447 426 D HA 0.077 4.716 4.640 -0.001 0.000 0.265 426 D C 1.206 177.349 176.300 -0.262 0.000 1.250 426 D CA -0.616 53.151 54.000 -0.388 0.000 1.046 426 D CB 0.556 41.150 40.800 -0.343 0.000 1.095 426 D HN 0.295 nan 8.370 nan 0.000 0.555 427 L N -1.067 119.988 121.223 -0.280 0.000 2.275 427 L HA -0.037 4.303 4.340 -0.001 0.000 0.215 427 L C 1.994 178.737 176.870 -0.212 0.000 1.119 427 L CA 0.497 55.144 54.840 -0.322 0.000 0.790 427 L CB -0.285 41.569 42.059 -0.341 0.000 0.919 427 L HN 0.531 nan 8.230 nan 0.000 0.443 428 W N 0.665 121.764 121.300 -0.335 0.000 2.388 428 W HA -0.191 4.468 4.660 -0.001 0.000 0.294 428 W C 2.273 178.587 176.519 -0.341 0.000 1.212 428 W CA 1.573 58.730 57.345 -0.313 0.000 1.271 428 W CB -0.149 29.085 29.460 -0.377 0.000 1.126 428 W HN 0.299 nan 8.180 nan 0.000 0.535 429 H N -0.207 118.627 119.070 -0.392 0.000 2.357 429 H HA -0.178 4.377 4.556 -0.001 0.000 0.301 429 H C 2.437 177.464 175.328 -0.502 0.000 1.082 429 H CA 1.883 57.530 56.048 -0.669 0.000 1.342 429 H CB -0.473 28.777 29.762 -0.853 0.000 1.389 429 H HN 0.053 nan 8.280 nan 0.000 0.511 430 L N 0.847 121.898 121.223 -0.288 0.000 2.093 430 L HA -0.176 4.164 4.340 -0.001 0.000 0.208 430 L C 2.581 179.289 176.870 -0.270 0.000 1.085 430 L CA 1.103 55.770 54.840 -0.288 0.000 0.755 430 L CB -0.229 41.648 42.059 -0.302 0.000 0.904 430 L HN 0.266 nan 8.230 nan 0.000 0.435 431 R N -0.800 119.508 120.500 -0.319 0.000 2.091 431 R HA -0.185 4.154 4.340 -0.001 0.000 0.238 431 R C 2.300 178.515 176.300 -0.142 0.000 1.136 431 R CA 1.940 57.877 56.100 -0.272 0.000 0.959 431 R CB -0.233 29.797 30.300 -0.450 0.000 0.856 431 R HN 0.222 nan 8.270 nan 0.000 0.437 432 S N 0.680 116.238 115.700 -0.237 0.000 2.368 432 S HA -0.062 4.407 4.470 -0.001 0.000 0.225 432 S C 1.855 176.447 174.600 -0.013 0.000 1.030 432 S CA 1.189 59.334 58.200 -0.090 0.000 0.999 432 S CB -0.143 63.009 63.200 -0.080 0.000 0.844 432 S HN 0.302 nan 8.310 nan 0.000 0.459 433 L N 1.365 122.523 121.223 -0.108 0.000 2.046 433 L HA -0.107 4.232 4.340 -0.001 0.000 0.208 433 L C 2.538 179.303 176.870 -0.174 0.000 1.077 433 L CA 1.447 56.131 54.840 -0.260 0.000 0.747 433 L CB -0.881 40.778 42.059 -0.667 0.000 0.896 433 L HN 0.355 nan 8.230 nan 0.000 0.432 434 V N -3.755 116.077 119.914 -0.135 0.000 2.407 434 V HA -0.257 3.863 4.120 -0.001 0.000 0.248 434 V C 2.289 178.337 176.094 -0.077 0.000 1.055 434 V CA 1.425 63.690 62.300 -0.058 0.000 1.049 434 V CB -1.012 30.729 31.823 -0.136 0.000 0.662 434 V HN 0.143 nan 8.190 nan 0.000 0.455 435 F N 2.551 122.458 119.950 -0.072 0.000 2.113 435 F HA -0.078 4.448 4.527 -0.001 0.000 0.297 435 F C 3.012 178.781 175.800 -0.051 0.000 1.103 435 F CA 2.417 60.366 58.000 -0.084 0.000 1.248 435 F CB -1.084 37.800 39.000 -0.193 0.000 0.999 435 F HN 0.378 nan 8.300 nan 0.000 0.475 436 T N -2.945 111.697 114.554 0.146 0.000 2.777 436 T HA -0.145 4.205 4.350 -0.001 0.000 0.266 436 T C 0.644 175.411 174.700 0.112 0.000 1.040 436 T CA 1.193 63.349 62.100 0.094 0.000 1.141 436 T CB -0.267 68.637 68.868 0.060 0.000 0.868 436 T HN 0.045 nan 8.240 nan 0.000 0.444 437 D N 0.747 121.241 120.400 0.157 0.000 2.481 437 D HA 0.332 4.971 4.640 -0.001 0.000 0.246 437 D C -1.212 175.214 176.300 0.211 0.000 1.109 437 D CA -0.587 53.525 54.000 0.185 0.000 0.845 437 D CB 1.591 42.558 40.800 0.278 0.000 1.160 437 D HN 0.259 nan 8.370 nan 0.000 0.534 438 K N 5.023 125.486 120.400 0.104 0.000 2.253 438 K HA 0.384 4.704 4.320 -0.001 0.000 0.277 438 K C -2.260 174.328 176.600 -0.020 0.000 1.053 438 K CA -1.699 54.620 56.287 0.053 0.000 0.892 438 K CB 1.170 33.687 32.500 0.028 0.000 1.102 438 K HN 0.313 nan 8.250 nan 0.000 0.469 439 P HA 0.075 nan 4.420 nan 0.000 0.276 439 P C -0.444 176.730 177.300 -0.209 0.000 1.244 439 P CA -0.263 62.781 63.100 -0.092 0.000 0.801 439 P CB 1.005 32.718 31.700 0.022 0.000 1.006 440 D N 0.264 120.463 120.400 -0.335 0.000 2.117 440 D HA -0.006 4.633 4.640 -0.001 0.000 0.198 440 D C 0.355 176.066 176.300 -0.982 0.000 0.982 440 D CA 1.710 55.363 54.000 -0.578 0.000 0.828 440 D CB -0.102 40.396 40.800 -0.503 0.000 0.967 440 D HN 0.334 nan 8.370 nan 0.000 0.464 441 F N -0.917 118.846 119.950 -0.312 0.000 2.613 441 F HA 0.456 4.982 4.527 -0.001 0.000 0.314 441 F C -0.029 175.833 175.800 0.104 0.000 1.075 441 F CA -0.873 57.055 58.000 -0.121 0.000 0.945 441 F CB 1.654 40.569 39.000 -0.141 0.000 1.310 441 F HN -0.400 nan 8.300 nan 0.000 0.467 442 M N 2.970 122.821 119.600 0.419 0.000 2.243 442 M HA 0.527 5.007 4.480 -0.001 0.000 0.324 442 M C -1.319 175.161 176.300 0.300 0.000 1.031 442 M CA -0.341 55.198 55.300 0.399 0.000 0.949 442 M CB 1.681 34.528 32.600 0.410 0.000 1.615 442 M HN 0.374 nan 8.290 nan 0.000 0.430 443 I N 2.963 123.635 120.570 0.169 0.000 2.362 443 I HA 0.750 4.919 4.170 -0.001 0.000 0.289 443 I C 0.302 176.108 176.117 -0.518 0.000 0.994 443 I CA -0.342 60.928 61.300 -0.050 0.000 1.158 443 I CB 1.579 39.566 38.000 -0.022 0.000 1.315 443 I HN 0.844 nan 8.210 nan 0.000 0.451 444 G N 4.853 113.233 108.800 -0.701 0.000 2.489 444 G HA2 0.213 4.172 3.960 -0.001 0.000 0.305 444 G HA3 0.213 4.172 3.960 -0.001 0.000 0.305 444 G C -1.455 173.121 174.900 -0.541 0.000 1.311 444 G CA -0.711 43.560 45.100 -1.382 0.000 0.813 444 G HN 0.569 nan 8.290 nan 0.000 0.480 445 N N -0.864 117.659 118.700 -0.295 0.000 2.374 445 N HA 0.302 5.042 4.740 -0.001 0.000 0.284 445 N C 1.085 176.549 175.510 -0.077 0.000 1.280 445 N CA 0.196 53.151 53.050 -0.159 0.000 0.963 445 N CB 0.375 38.738 38.487 -0.206 0.000 1.141 445 N HN 0.235 nan 8.380 nan 0.000 0.565 446 S N -1.578 113.927 115.700 -0.325 0.000 2.595 446 S HA -0.034 4.436 4.470 -0.001 0.000 0.235 446 S C 0.664 175.105 174.600 -0.265 0.000 0.974 446 S CA 0.297 58.310 58.200 -0.311 0.000 0.942 446 S CB -0.718 62.234 63.200 -0.413 0.000 0.766 446 S HN 0.444 nan 8.310 nan 0.000 0.536 447 Y N 1.115 121.461 120.300 0.077 0.000 2.561 447 Y HA 0.140 4.689 4.550 -0.001 0.000 0.291 447 Y C 2.325 178.295 175.900 0.118 0.000 1.141 447 Y CA -0.133 58.045 58.100 0.130 0.000 1.303 447 Y CB -0.785 37.778 38.460 0.171 0.000 1.015 447 Y HN 0.317 nan 8.280 nan 0.000 0.547 448 G N 0.071 109.075 108.800 0.340 0.000 2.920 448 G HA2 -0.144 3.815 3.960 -0.001 0.000 0.208 448 G HA3 -0.144 3.815 3.960 -0.001 0.000 0.208 448 G C 1.724 176.689 174.900 0.109 0.000 1.159 448 G CA 0.407 45.700 45.100 0.322 0.000 0.784 448 G HN 0.462 nan 8.290 nan 0.000 0.535 449 K N -0.103 120.225 120.400 -0.120 0.000 2.057 449 K HA -0.065 4.254 4.320 -0.001 0.000 0.207 449 K C 1.772 178.252 176.600 -0.201 0.000 1.049 449 K CA 1.154 57.287 56.287 -0.257 0.000 0.931 449 K CB -0.447 31.759 32.500 -0.490 0.000 0.714 449 K HN 0.180 nan 8.250 nan 0.000 0.440 450 F N 1.739 121.763 119.950 0.125 0.000 2.186 450 F HA 0.020 4.546 4.527 -0.001 0.000 0.299 450 F C 2.180 178.041 175.800 0.102 0.000 1.090 450 F CA 0.482 58.550 58.000 0.113 0.000 1.307 450 F CB -0.468 38.611 39.000 0.133 0.000 1.019 450 F HN -0.055 nan 8.300 nan 0.000 0.489 451 I N -0.371 120.327 120.570 0.214 0.000 2.252 451 I HA -0.302 3.868 4.170 -0.001 0.000 0.245 451 I C 2.597 178.756 176.117 0.069 0.000 1.102 451 I CA 1.322 62.684 61.300 0.104 0.000 1.385 451 I CB -0.503 37.505 38.000 0.013 0.000 1.064 451 I HN 0.206 nan 8.210 nan 0.000 0.414 452 Q N 0.887 120.733 119.800 0.076 0.000 2.084 452 Q HA -0.258 4.081 4.340 -0.001 0.000 0.202 452 Q C 2.472 178.520 176.000 0.080 0.000 0.978 452 Q CA 1.440 57.276 55.803 0.054 0.000 0.844 452 Q CB -0.078 28.695 28.738 0.058 0.000 0.898 452 Q HN 0.259 nan 8.270 nan 0.000 0.426 453 R N 0.629 121.201 120.500 0.120 0.000 2.091 453 R HA -0.162 4.178 4.340 -0.001 0.000 0.238 453 R C 1.363 177.772 176.300 0.181 0.000 1.136 453 R CA 1.928 58.112 56.100 0.140 0.000 0.959 453 R CB -0.415 29.995 30.300 0.185 0.000 0.856 453 R HN 0.413 nan 8.270 nan 0.000 0.437 454 D N -0.260 120.281 120.400 0.235 0.000 2.117 454 D HA -0.127 4.513 4.640 -0.001 0.000 0.197 454 D C 1.847 178.461 176.300 0.523 0.000 0.987 454 D CA 2.196 56.438 54.000 0.403 0.000 0.829 454 D CB -0.354 40.730 40.800 0.473 0.000 0.961 454 D HN 0.461 nan 8.370 nan 0.000 0.460 455 T N 0.108 114.763 114.554 0.169 0.000 2.746 455 T HA -0.159 4.190 4.350 -0.001 0.000 0.267 455 T C 2.084 176.918 174.700 0.224 0.000 1.039 455 T CA 0.655 62.758 62.100 0.006 0.000 1.142 455 T CB -0.610 68.104 68.868 -0.256 0.000 0.866 455 T HN 0.037 nan 8.240 nan 0.000 0.444 456 L N 1.051 122.380 121.223 0.178 0.000 2.191 456 L HA -0.006 4.334 4.340 -0.001 0.000 0.212 456 L C 2.382 179.394 176.870 0.236 0.000 1.103 456 L CA 1.779 56.722 54.840 0.172 0.000 0.769 456 L CB -1.049 41.080 42.059 0.117 0.000 0.908 456 L HN 0.403 nan 8.230 nan 0.000 0.438 457 H N -0.052 119.111 119.070 0.155 0.000 2.353 457 H HA -0.183 4.372 4.556 -0.001 0.000 0.300 457 H C 2.322 177.769 175.328 0.198 0.000 1.090 457 H CA 2.289 58.367 56.048 0.050 0.000 1.327 457 H CB 0.034 29.661 29.762 -0.226 0.000 1.383 457 H HN 0.385 nan 8.280 nan 0.000 0.508 458 K N -0.496 120.158 120.400 0.424 0.000 2.026 458 K HA 0.008 4.327 4.320 -0.001 0.000 0.208 458 K C 0.410 177.168 176.600 0.264 0.000 1.048 458 K CA 1.235 57.721 56.287 0.331 0.000 0.929 458 K CB -0.066 32.615 32.500 0.301 0.000 0.713 458 K HN 0.427 nan 8.250 nan 0.000 0.439 459 G N -0.852 108.210 108.800 0.436 0.000 2.523 459 G HA2 0.099 4.058 3.960 -0.001 0.000 0.291 459 G HA3 0.099 4.058 3.960 -0.001 0.000 0.291 459 G C -0.735 174.313 174.900 0.246 0.000 1.450 459 G CA -0.597 44.763 45.100 0.433 0.000 0.790 459 G HN -0.044 nan 8.290 nan 0.000 0.496 460 K N -0.166 120.293 120.400 0.098 0.000 2.057 460 K HA -0.087 4.233 4.320 -0.001 0.000 0.206 460 K C 2.355 178.916 176.600 -0.065 0.000 1.050 460 K CA 1.833 58.131 56.287 0.018 0.000 0.935 460 K CB -0.002 32.495 32.500 -0.004 0.000 0.715 460 K HN 0.652 nan 8.250 nan 0.000 0.439 461 E N -0.163 119.918 120.200 -0.199 0.000 2.204 461 E HA -0.174 4.175 4.350 -0.001 0.000 0.194 461 E C 1.456 177.766 176.600 -0.485 0.000 0.989 461 E CA 1.076 57.239 56.400 -0.395 0.000 0.824 461 E CB -0.341 29.027 29.700 -0.553 0.000 0.756 461 E HN 0.309 nan 8.360 nan 0.000 0.477 462 F N 1.961 121.905 119.950 -0.010 0.000 2.789 462 F HA 0.177 4.703 4.527 -0.001 0.000 0.300 462 F C 1.241 176.990 175.800 -0.084 0.000 1.132 462 F CA -0.138 57.847 58.000 -0.024 0.000 1.404 462 F CB -0.123 38.906 39.000 0.049 0.000 1.114 462 F HN -0.017 nan 8.300 nan 0.000 0.584 463 E N 1.515 121.742 120.200 0.045 0.000 2.384 463 E HA 0.204 4.554 4.350 -0.001 0.000 0.266 463 E C -0.932 175.613 176.600 -0.092 0.000 1.012 463 E CA -0.109 56.283 56.400 -0.013 0.000 0.901 463 E CB 0.879 30.582 29.700 0.005 0.000 0.967 463 E HN -0.059 nan 8.360 nan 0.000 0.435 464 V N 7.143 126.999 119.914 -0.097 0.000 2.350 464 V HA 0.292 4.411 4.120 -0.001 0.000 0.285 464 V C -2.236 173.840 176.094 -0.029 0.000 1.014 464 V CA -1.947 60.280 62.300 -0.122 0.000 0.831 464 V CB 1.223 32.991 31.823 -0.092 0.000 1.000 464 V HN 0.764 nan 8.190 nan 0.000 0.433 465 P HA 0.171 nan 4.420 nan 0.000 0.271 465 P C -0.588 176.866 177.300 0.258 0.000 1.216 465 P CA -0.333 62.856 63.100 0.148 0.000 0.776 465 P CB 0.699 32.560 31.700 0.269 0.000 0.881 466 L N 4.834 126.171 121.223 0.190 0.000 2.305 466 L HA 0.411 4.750 4.340 -0.001 0.000 0.281 466 L C -0.823 176.136 176.870 0.149 0.000 1.085 466 L CA 0.043 54.997 54.840 0.190 0.000 0.813 466 L CB -0.085 42.060 42.059 0.145 0.000 1.157 466 L HN 0.249 nan 8.230 nan 0.000 0.436 467 I N 5.397 126.043 120.570 0.128 0.000 2.389 467 I HA 0.418 4.587 4.170 -0.001 0.000 0.288 467 I C -0.238 175.881 176.117 0.004 0.000 0.999 467 I CA -0.699 60.631 61.300 0.050 0.000 1.129 467 I CB 1.228 39.248 38.000 0.034 0.000 1.288 467 I HN 0.578 nan 8.210 nan 0.000 0.444 468 R N 7.527 128.023 120.500 -0.007 0.000 2.196 468 R HA 0.676 5.015 4.340 -0.001 0.000 0.340 468 R C -0.956 175.354 176.300 0.017 0.000 1.043 468 R CA -0.195 55.889 56.100 -0.026 0.000 0.883 468 R CB 0.704 30.985 30.300 -0.031 0.000 1.078 468 R HN 0.529 nan 8.270 nan 0.000 0.462 469 I N 1.908 122.489 120.570 0.019 0.000 2.607 469 I HA 0.649 4.819 4.170 -0.001 0.000 0.290 469 I C 0.306 176.443 176.117 0.034 0.000 1.129 469 I CA -0.630 60.766 61.300 0.159 0.000 1.042 469 I CB 2.366 40.504 38.000 0.231 0.000 1.242 469 I HN 0.862 nan 8.210 nan 0.000 0.421 470 G N 4.757 113.526 108.800 -0.051 0.000 2.334 470 G HA2 0.164 4.123 3.960 -0.001 0.000 0.315 470 G HA3 0.164 4.123 3.960 -0.001 0.000 0.315 470 G C -2.109 172.593 174.900 -0.329 0.000 1.284 470 G CA -0.812 44.001 45.100 -0.478 0.000 0.985 470 G HN 0.575 nan 8.290 nan 0.000 0.504 471 F N 1.819 121.469 119.950 -0.500 0.000 2.581 471 F HA 0.788 5.314 4.527 -0.001 0.000 0.311 471 F C -2.342 173.207 175.800 -0.418 0.000 1.113 471 F CA -1.964 55.708 58.000 -0.546 0.000 0.935 471 F CB 2.753 41.414 39.000 -0.565 0.000 1.232 471 F HN 0.500 nan 8.300 nan 0.000 0.445 472 P HA 0.413 nan 4.420 nan 0.000 0.282 472 P C -1.028 175.570 177.300 -1.171 0.000 1.249 472 P CA -0.189 61.805 63.100 -1.843 0.000 0.806 472 P CB 2.105 32.243 31.700 -2.605 0.000 0.984 473 I N 3.004 123.176 120.570 -0.664 0.000 2.382 473 I HA 0.235 4.404 4.170 -0.001 0.000 0.285 473 I C 0.193 176.083 176.117 -0.378 0.000 1.007 473 I CA -0.485 60.548 61.300 -0.445 0.000 1.142 473 I CB 0.986 38.895 38.000 -0.150 0.000 1.289 473 I HN 0.198 nan 8.210 nan 0.000 0.453 474 F N 2.308 122.115 119.950 -0.238 0.000 2.724 474 F HA 0.066 4.593 4.527 -0.001 0.000 0.306 474 F C 1.663 177.393 175.800 -0.116 0.000 1.100 474 F CA -0.413 57.465 58.000 -0.202 0.000 1.255 474 F CB -0.140 38.725 39.000 -0.224 0.000 1.072 474 F HN 0.477 nan 8.300 nan 0.000 0.589 475 D N -0.906 119.529 120.400 0.060 0.000 2.349 475 D HA 0.088 4.728 4.640 -0.001 0.000 0.214 475 D C 0.591 176.931 176.300 0.067 0.000 1.063 475 D CA 0.287 54.318 54.000 0.051 0.000 0.847 475 D CB 0.263 41.058 40.800 -0.008 0.000 0.933 475 D HN -0.078 nan 8.370 nan 0.000 0.513 476 R N -0.078 120.471 120.500 0.082 0.000 2.795 476 R HA 0.409 4.748 4.340 -0.001 0.000 0.275 476 R C -0.631 175.780 176.300 0.185 0.000 0.981 476 R CA -0.590 55.572 56.100 0.103 0.000 0.917 476 R CB 1.232 31.558 30.300 0.043 0.000 1.202 476 R HN 0.256 nan 8.270 nan 0.000 0.469 477 H N 1.834 120.855 119.070 -0.082 0.000 2.463 477 H HA 0.223 4.778 4.556 -0.001 0.000 0.332 477 H C -0.079 175.163 175.328 -0.143 0.000 1.127 477 H CA -0.559 55.347 56.048 -0.236 0.000 1.238 477 H CB 1.062 30.627 29.762 -0.329 0.000 1.478 477 H HN 0.610 nan 8.280 nan 0.000 0.499 478 H N 1.599 120.804 119.070 0.226 0.000 2.861 478 H HA -0.180 4.376 4.556 -0.001 0.000 0.289 478 H C 1.068 176.468 175.328 0.119 0.000 1.176 478 H CA 0.486 56.656 56.048 0.203 0.000 1.146 478 H CB -1.424 28.409 29.762 0.117 0.000 1.330 478 H HN 0.672 nan 8.280 nan 0.000 0.379 479 L N 0.678 122.029 121.223 0.214 0.000 2.313 479 L HA -0.095 4.245 4.340 -0.001 0.000 0.214 479 L C 2.700 179.753 176.870 0.305 0.000 1.119 479 L CA 1.178 56.133 54.840 0.193 0.000 0.809 479 L CB -0.389 41.768 42.059 0.165 0.000 0.933 479 L HN 0.476 nan 8.230 nan 0.000 0.449 480 H N 0.006 119.158 119.070 0.137 0.000 2.567 480 H HA -0.060 4.495 4.556 -0.001 0.000 0.276 480 H C 1.487 177.025 175.328 0.350 0.000 1.016 480 H CA 0.445 56.619 56.048 0.209 0.000 1.186 480 H CB -0.262 29.417 29.762 -0.137 0.000 1.351 480 H HN 0.339 nan 8.280 nan 0.000 0.605 481 R N 0.615 120.994 120.500 -0.201 0.000 2.317 481 R HA 0.173 4.512 4.340 -0.001 0.000 0.208 481 R C 0.362 176.650 176.300 -0.020 0.000 0.914 481 R CA -0.104 55.891 56.100 -0.175 0.000 1.060 481 R CB 0.517 30.696 30.300 -0.203 0.000 1.015 481 R HN 0.086 nan 8.270 nan 0.000 0.498 482 S N 0.238 115.945 115.700 0.013 0.000 2.634 482 S HA 0.201 4.671 4.470 -0.001 0.000 0.261 482 S C 0.231 174.688 174.600 -0.237 0.000 1.271 482 S CA 0.034 58.140 58.200 -0.156 0.000 0.985 482 S CB 1.406 64.412 63.200 -0.323 0.000 0.968 482 S HN 0.035 nan 8.310 nan 0.000 0.568 483 T N 0.895 115.281 114.554 -0.280 0.000 2.848 483 T HA 0.464 4.813 4.350 -0.001 0.000 0.285 483 T C 0.848 175.372 174.700 -0.293 0.000 0.995 483 T CA -0.726 61.233 62.100 -0.236 0.000 0.970 483 T CB 1.587 70.370 68.868 -0.141 0.000 0.976 483 T HN 0.719 nan 8.240 nan 0.000 0.441 484 T N -0.018 114.384 114.554 -0.254 0.000 2.969 484 T HA 0.357 4.707 4.350 -0.001 0.000 0.250 484 T C 0.674 175.271 174.700 -0.172 0.000 1.021 484 T CA -0.220 61.766 62.100 -0.189 0.000 1.003 484 T CB 0.032 68.875 68.868 -0.042 0.000 1.040 484 T HN 0.358 nan 8.240 nan 0.000 0.492 485 L N 1.970 123.092 121.223 -0.168 0.000 2.418 485 L HA 0.589 4.928 4.340 -0.001 0.000 0.265 485 L C 1.399 178.123 176.870 -0.243 0.000 1.143 485 L CA 0.259 54.973 54.840 -0.209 0.000 0.809 485 L CB 0.170 42.086 42.059 -0.238 0.000 1.124 485 L HN 0.647 nan 8.230 nan 0.000 0.456 486 G N 0.695 109.317 108.800 -0.296 0.000 2.698 486 G HA2 -0.314 3.646 3.960 -0.001 0.000 0.233 486 G HA3 -0.314 3.646 3.960 -0.001 0.000 0.233 486 G C -0.035 174.712 174.900 -0.255 0.000 1.352 486 G CA 0.200 45.087 45.100 -0.354 0.000 0.879 486 G HN 0.541 nan 8.290 nan 0.000 0.567 487 Y N 0.437 120.668 120.300 -0.115 0.000 2.200 487 Y HA 0.022 4.571 4.550 -0.001 0.000 0.290 487 Y C 2.869 178.696 175.900 -0.122 0.000 1.137 487 Y CA 1.980 60.015 58.100 -0.109 0.000 1.163 487 Y CB -0.647 37.781 38.460 -0.054 0.000 0.988 487 Y HN 0.813 nan 8.280 nan 0.000 0.518 488 E N -0.117 120.102 120.200 0.031 0.000 2.077 488 E HA -0.155 4.194 4.350 -0.001 0.000 0.193 488 E C 2.544 179.094 176.600 -0.083 0.000 0.989 488 E CA 1.295 57.683 56.400 -0.021 0.000 0.800 488 E CB -0.561 29.117 29.700 -0.036 0.000 0.746 488 E HN 0.441 nan 8.360 nan 0.000 0.452 489 G N 0.665 109.384 108.800 -0.136 0.000 2.418 489 G HA2 -0.260 3.700 3.960 -0.001 0.000 0.217 489 G HA3 -0.260 3.700 3.960 -0.001 0.000 0.217 489 G C 1.689 176.449 174.900 -0.232 0.000 1.158 489 G CA 0.988 45.975 45.100 -0.187 0.000 0.771 489 G HN 0.435 nan 8.290 nan 0.000 0.545 490 A N 0.694 123.335 122.820 -0.298 0.000 1.902 490 A HA -0.005 4.314 4.320 -0.001 0.000 0.217 490 A C 2.476 179.955 177.584 -0.174 0.000 1.181 490 A CA 1.881 53.612 52.037 -0.511 0.000 0.623 490 A CB -0.378 18.314 19.000 -0.513 0.000 0.818 490 A HN 0.388 nan 8.150 nan 0.000 0.443 491 M N -1.166 118.394 119.600 -0.067 0.000 2.159 491 M HA -0.216 4.263 4.480 -0.001 0.000 0.263 491 M C 2.456 178.748 176.300 -0.013 0.000 1.063 491 M CA 1.637 56.936 55.300 -0.002 0.000 1.110 491 M CB -0.426 32.174 32.600 -0.001 0.000 1.374 491 M HN 0.504 nan 8.290 nan 0.000 0.411 492 Q N 0.352 120.119 119.800 -0.055 0.000 2.079 492 Q HA -0.101 4.239 4.340 -0.001 0.000 0.200 492 Q C 2.026 177.998 176.000 -0.046 0.000 0.974 492 Q CA 1.261 57.028 55.803 -0.061 0.000 0.840 492 Q CB -0.095 28.582 28.738 -0.103 0.000 0.898 492 Q HN 0.543 nan 8.270 nan 0.000 0.430 493 I N 0.585 121.126 120.570 -0.049 0.000 2.226 493 I HA -0.292 3.877 4.170 -0.001 0.000 0.245 493 I C 2.373 178.535 176.117 0.076 0.000 1.100 493 I CA 0.851 62.154 61.300 0.005 0.000 1.374 493 I CB -0.221 37.786 38.000 0.013 0.000 1.057 493 I HN 0.242 nan 8.210 nan 0.000 0.413 494 L N 0.297 121.615 121.223 0.157 0.000 2.046 494 L HA -0.230 4.109 4.340 -0.001 0.000 0.208 494 L C 2.570 179.460 176.870 0.033 0.000 1.077 494 L CA 1.832 56.748 54.840 0.127 0.000 0.747 494 L CB -0.399 41.762 42.059 0.169 0.000 0.896 494 L HN 0.226 nan 8.230 nan 0.000 0.432 495 T N -1.316 113.248 114.554 0.017 0.000 2.746 495 T HA -0.171 4.179 4.350 -0.001 0.000 0.267 495 T C 1.743 176.424 174.700 -0.032 0.000 1.039 495 T CA 1.856 63.950 62.100 -0.009 0.000 1.142 495 T CB -0.498 68.361 68.868 -0.014 0.000 0.866 495 T HN 0.412 nan 8.240 nan 0.000 0.444 496 T N 2.416 116.948 114.554 -0.037 0.000 2.746 496 T HA 0.051 4.400 4.350 -0.001 0.000 0.267 496 T C 1.989 176.637 174.700 -0.087 0.000 1.039 496 T CA 0.888 62.953 62.100 -0.058 0.000 1.142 496 T CB -0.446 68.391 68.868 -0.052 0.000 0.866 496 T HN 0.245 nan 8.240 nan 0.000 0.444 497 L N 0.536 121.711 121.223 -0.080 0.000 2.056 497 L HA -0.030 4.310 4.340 -0.001 0.000 0.207 497 L C 2.720 179.538 176.870 -0.087 0.000 1.078 497 L CA 0.836 55.615 54.840 -0.101 0.000 0.749 497 L CB -0.653 41.343 42.059 -0.104 0.000 0.901 497 L HN 0.153 nan 8.230 nan 0.000 0.433 498 V N 0.231 120.118 119.914 -0.045 0.000 2.358 498 V HA -0.266 3.853 4.120 -0.001 0.000 0.246 498 V C 1.876 177.911 176.094 -0.098 0.000 1.047 498 V CA 2.306 64.591 62.300 -0.025 0.000 1.035 498 V CB -0.417 31.418 31.823 0.021 0.000 0.658 498 V HN 0.535 nan 8.190 nan 0.000 0.452 499 N N -0.363 118.276 118.700 -0.101 0.000 2.309 499 N HA -0.123 4.616 4.740 -0.001 0.000 0.182 499 N C 1.951 177.375 175.510 -0.143 0.000 1.018 499 N CA 1.276 54.253 53.050 -0.121 0.000 0.876 499 N CB -0.123 38.311 38.487 -0.088 0.000 0.972 499 N HN 0.421 nan 8.380 nan 0.000 0.434 500 S N 0.829 116.421 115.700 -0.180 0.000 2.368 500 S HA 0.005 4.474 4.470 -0.001 0.000 0.224 500 S C 1.924 176.364 174.600 -0.266 0.000 1.029 500 S CA 0.682 58.734 58.200 -0.246 0.000 0.988 500 S CB -0.068 62.888 63.200 -0.407 0.000 0.838 500 S HN 0.234 nan 8.310 nan 0.000 0.462 501 I N 1.287 121.684 120.570 -0.287 0.000 2.226 501 I HA -0.165 4.004 4.170 -0.001 0.000 0.245 501 I C 1.958 178.013 176.117 -0.102 0.000 1.100 501 I CA 1.063 62.316 61.300 -0.080 0.000 1.374 501 I CB -0.257 37.751 38.000 0.014 0.000 1.057 501 I HN 0.230 nan 8.210 nan 0.000 0.413 502 L N 0.072 121.148 121.223 -0.245 0.000 2.141 502 L HA -0.189 4.150 4.340 -0.001 0.000 0.209 502 L C 2.551 179.291 176.870 -0.217 0.000 1.094 502 L CA 0.944 55.560 54.840 -0.373 0.000 0.763 502 L CB -0.491 41.299 42.059 -0.447 0.000 0.908 502 L HN 0.223 nan 8.230 nan 0.000 0.437 503 E N 0.750 120.871 120.200 -0.131 0.000 2.077 503 E HA -0.256 4.093 4.350 -0.001 0.000 0.193 503 E C 2.174 178.760 176.600 -0.023 0.000 0.989 503 E CA 1.307 57.665 56.400 -0.070 0.000 0.800 503 E CB -0.020 29.651 29.700 -0.047 0.000 0.746 503 E HN 0.089 nan 8.360 nan 0.000 0.452 504 R N -0.017 120.498 120.500 0.026 0.000 2.075 504 R HA -0.052 4.288 4.340 -0.001 0.000 0.232 504 R C 2.279 178.587 176.300 0.014 0.000 1.126 504 R CA 1.320 57.465 56.100 0.075 0.000 0.963 504 R CB -1.045 29.399 30.300 0.240 0.000 0.858 504 R HN 0.366 nan 8.270 nan 0.000 0.435 505 L N 0.671 121.874 121.223 -0.032 0.000 2.046 505 L HA -0.107 4.232 4.340 -0.001 0.000 0.208 505 L C 1.233 178.078 176.870 -0.042 0.000 1.077 505 L CA 2.072 56.873 54.840 -0.064 0.000 0.747 505 L CB -0.796 41.161 42.059 -0.170 0.000 0.896 505 L HN 0.159 nan 8.230 nan 0.000 0.432 506 D N -0.468 119.902 120.400 -0.051 0.000 2.117 506 D HA -0.228 4.411 4.640 -0.001 0.000 0.197 506 D C 2.111 178.486 176.300 0.125 0.000 0.987 506 D CA 1.451 55.480 54.000 0.049 0.000 0.829 506 D CB 0.015 40.810 40.800 -0.008 0.000 0.961 506 D HN 0.607 nan 8.370 nan 0.000 0.460 507 E N 0.691 120.918 120.200 0.044 0.000 2.077 507 E HA -0.191 4.158 4.350 -0.001 0.000 0.193 507 E C 1.632 178.229 176.600 -0.005 0.000 0.989 507 E CA 0.986 57.397 56.400 0.019 0.000 0.800 507 E CB 0.064 29.771 29.700 0.011 0.000 0.746 507 E HN 0.312 nan 8.360 nan 0.000 0.452 508 E N -0.418 119.776 120.200 -0.009 0.000 2.204 508 E HA -0.114 4.235 4.350 -0.001 0.000 0.194 508 E C 1.692 178.266 176.600 -0.043 0.000 0.989 508 E CA 1.529 57.911 56.400 -0.030 0.000 0.824 508 E CB 0.077 29.756 29.700 -0.035 0.000 0.756 508 E HN 0.404 nan 8.360 nan 0.000 0.477 509 T N -1.935 112.609 114.554 -0.016 0.000 3.105 509 T HA 0.189 4.539 4.350 -0.001 0.000 0.253 509 T C 1.420 176.039 174.700 -0.135 0.000 1.047 509 T CA -0.350 61.723 62.100 -0.045 0.000 0.944 509 T CB 0.267 69.141 68.868 0.008 0.000 1.016 509 T HN -0.057 nan 8.240 nan 0.000 0.544 510 R N 1.184 121.560 120.500 -0.206 0.000 2.276 510 R HA 0.194 4.533 4.340 -0.001 0.000 0.203 510 R C 1.224 177.354 176.300 -0.283 0.000 1.017 510 R CA 0.112 55.938 56.100 -0.457 0.000 1.010 510 R CB -0.430 29.699 30.300 -0.284 0.000 0.900 510 R HN 0.492 nan 8.270 nan 0.000 0.469 511 G N 1.166 109.870 108.800 -0.160 0.000 2.365 511 G HA2 0.117 4.076 3.960 -0.001 0.000 0.249 511 G HA3 0.117 4.076 3.960 -0.001 0.000 0.249 511 G C -0.410 174.440 174.900 -0.083 0.000 1.288 511 G CA -0.494 44.548 45.100 -0.098 0.000 0.887 511 G HN 0.142 nan 8.290 nan 0.000 0.524 512 M N 2.191 121.753 119.600 -0.063 0.000 2.268 512 M HA 0.137 4.617 4.480 -0.001 0.000 0.349 512 M C 1.059 177.358 176.300 -0.002 0.000 1.485 512 M CA 0.537 55.816 55.300 -0.036 0.000 1.094 512 M CB 0.156 32.738 32.600 -0.030 0.000 1.843 512 M HN 0.833 nan 8.290 nan 0.000 0.460 513 Q N 2.396 122.208 119.800 0.021 0.000 2.457 513 Q HA -0.306 4.033 4.340 -0.001 0.000 0.283 513 Q C -0.617 175.420 176.000 0.061 0.000 1.234 513 Q CA 0.937 56.767 55.803 0.046 0.000 0.877 513 Q CB -1.137 27.619 28.738 0.029 0.000 1.250 513 Q HN 0.956 nan 8.270 nan 0.000 0.481 514 A N -1.642 121.221 122.820 0.072 0.000 1.803 514 A HA 0.186 4.505 4.320 -0.001 0.000 0.202 514 A C 1.285 178.961 177.584 0.154 0.000 1.802 514 A CA 0.838 52.926 52.037 0.085 0.000 1.096 514 A CB 0.230 19.251 19.000 0.036 0.000 1.046 514 A HN 0.726 nan 8.150 nan 0.000 0.568 515 T N -1.754 112.832 114.554 0.054 0.000 3.058 515 T HA 0.108 4.458 4.350 -0.001 0.000 0.278 515 T C 0.668 175.221 174.700 -0.244 0.000 0.974 515 T CA 0.868 62.917 62.100 -0.085 0.000 0.893 515 T CB 0.042 68.849 68.868 -0.103 0.000 1.138 515 T HN 0.345 nan 8.240 nan 0.000 0.529 516 D N 1.662 122.010 120.400 -0.085 0.000 2.392 516 D HA -0.146 4.494 4.640 -0.001 0.000 0.228 516 D C 1.578 177.884 176.300 0.009 0.000 1.003 516 D CA 0.420 54.387 54.000 -0.055 0.000 0.917 516 D CB -0.812 39.957 40.800 -0.053 0.000 0.890 516 D HN 0.724 nan 8.370 nan 0.000 0.532 517 Y N -0.089 120.242 120.300 0.053 0.000 2.293 517 Y HA 0.031 4.580 4.550 -0.001 0.000 0.291 517 Y C 1.596 177.537 175.900 0.068 0.000 1.137 517 Y CA 1.051 59.182 58.100 0.051 0.000 1.202 517 Y CB -1.016 37.465 38.460 0.034 0.000 0.990 517 Y HN -0.029 nan 8.280 nan 0.000 0.537 518 N N -0.302 118.097 118.700 -0.502 0.000 2.270 518 N HA -0.072 4.667 4.740 -0.001 0.000 0.198 518 N C -0.358 175.101 175.510 -0.085 0.000 1.117 518 N CA -0.126 52.775 53.050 -0.250 0.000 0.845 518 N CB -0.556 37.694 38.487 -0.395 0.000 0.980 518 N HN 0.435 nan 8.380 nan 0.000 0.486 519 H N 0.514 119.495 119.070 -0.149 0.000 2.970 519 H HA 0.191 4.747 4.556 -0.001 0.000 0.226 519 H C -0.826 174.472 175.328 -0.051 0.000 1.909 519 H CA -0.557 55.433 56.048 -0.097 0.000 1.388 519 H CB -0.850 28.861 29.762 -0.084 0.000 1.773 519 H HN 0.084 nan 8.280 nan 0.000 0.559 520 D N 2.202 122.518 120.400 -0.139 0.000 2.424 520 D HA -0.072 4.567 4.640 -0.001 0.000 0.244 520 D C 1.469 177.680 176.300 -0.149 0.000 1.134 520 D CA -0.180 53.761 54.000 -0.098 0.000 0.881 520 D CB 1.179 41.965 40.800 -0.025 0.000 1.191 520 D HN 0.443 nan 8.370 nan 0.000 0.445 521 L N 3.142 124.318 121.223 -0.079 0.000 2.056 521 L HA -0.023 4.316 4.340 -0.001 0.000 0.207 521 L C 0.177 177.012 176.870 -0.059 0.000 1.078 521 L CA 1.441 56.239 54.840 -0.070 0.000 0.749 521 L CB 0.336 42.377 42.059 -0.029 0.000 0.901 521 L HN 0.198 nan 8.230 nan 0.000 0.433 522 V N 1.917 121.815 119.914 -0.027 0.000 2.384 522 V HA 0.495 4.614 4.120 -0.001 0.000 0.287 522 V C 0.092 176.205 176.094 0.030 0.000 1.020 522 V CA -0.638 61.660 62.300 -0.004 0.000 0.850 522 V CB 1.273 33.105 31.823 0.014 0.000 0.987 522 V HN 0.276 nan 8.190 nan 0.000 0.436 523 R N 0.000 120.520 120.500 0.033 0.000 2.786 523 R HA 0.000 4.339 4.340 -0.001 0.000 0.208 523 R CA 0.000 56.182 56.100 0.137 0.000 0.921 523 R CB 0.000 30.247 30.300 -0.088 0.000 0.687 523 R HN 0.000 nan 8.270 nan 0.000 0.535