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 1kae_1_B DATA FIRST_RESID 2 DATA SEQUENCE SFNTIIDWNS CTAEQQRQLL XRPAISASES ITRTVNDILD NVKARGDEAL DATA SEQUENCE REYSAKFDKT TVTALKVSAE EIAAASERLS DELKQAXAVA VKNIETFHTA DATA SEQUENCE QKLPPVDVET QPGVRCQQVT RPVASVGLYI PGGSAPLFST VLXLATPASI DATA SEQUENCE AGCKKVVLCS PPPIADEILY AAQLCGVQDV FNVGGAQAIA ALAFGTESVP DATA SEQUENCE KVDKIFGPGN AFVTEAKRQV SQRLDGAAID XPAGPSEVLV IADSGATPDF DATA SEQUENCE VASDLLSQAE HGPDSQVILL TPAADXARRV AEAVERQLAE LPRAETARQA DATA SEQUENCE LNASRLIVTK DLAQCVEISN QYGPEHLIIQ TRNARELVDS ITSAGSVFLG DATA SEQUENCE DWSPESAGDY ASGTNHVLPT YGYTATCSSL GLADFQKRXT VQELSKEGFS DATA SEQUENCE ALASTIETLA AAERLTAHKN AVTLRVNALK EQA 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 0.000 174.527 174.600 -0.122 0.000 1.055 2 S CA 0.000 57.997 58.200 -0.339 0.000 1.107 2 S CB 0.000 63.101 63.200 -0.165 0.000 0.593 3 F N 3.709 123.659 119.950 0.001 0.000 2.384 3 F HA 0.571 5.098 4.527 0.000 0.000 0.359 3 F C 1.247 177.048 175.800 0.002 0.000 1.143 3 F CA -0.629 57.372 58.000 0.002 0.000 1.216 3 F CB -1.160 37.841 39.000 0.003 0.000 1.512 3 F HN 1.073 nan 8.300 nan 0.000 0.573 4 N N 0.407 119.180 118.700 0.122 0.000 5.393 4 N HA -0.254 4.486 4.740 -0.000 0.000 0.330 4 N C -0.320 175.200 175.510 0.017 0.000 0.915 4 N CA 1.050 54.138 53.050 0.063 0.000 1.070 4 N CB -0.551 37.981 38.487 0.074 0.000 0.848 4 N HN 0.532 nan 8.380 nan 0.000 0.486 5 T N -0.553 114.010 114.554 0.015 0.000 2.587 5 T HA 0.331 4.681 4.350 -0.000 0.000 0.217 5 T C -0.727 173.976 174.700 0.006 0.000 1.178 5 T CA -0.238 61.859 62.100 -0.004 0.000 1.203 5 T CB 0.095 68.955 68.868 -0.014 0.000 2.033 5 T HN 0.475 nan 8.240 nan 0.000 0.424 6 I N 1.923 122.496 120.570 0.004 0.000 2.441 6 I HA 0.398 4.568 4.170 -0.000 0.000 0.287 6 I C -0.656 175.477 176.117 0.027 0.000 1.049 6 I CA -0.361 60.946 61.300 0.012 0.000 1.381 6 I CB 0.606 38.609 38.000 0.005 0.000 1.409 6 I HN 0.361 nan 8.210 nan 0.000 0.523 7 I N 5.122 125.719 120.570 0.045 0.000 2.312 7 I HA 0.109 4.279 4.170 -0.000 0.000 0.290 7 I C -0.127 176.047 176.117 0.095 0.000 1.008 7 I CA -0.253 61.088 61.300 0.069 0.000 1.226 7 I CB 1.103 39.164 38.000 0.101 0.000 1.371 7 I HN 0.547 nan 8.210 nan 0.000 0.468 8 D N 6.536 126.982 120.400 0.078 0.000 2.365 8 D HA -0.024 4.616 4.640 -0.000 0.000 0.237 8 D C 0.867 177.257 176.300 0.150 0.000 1.190 8 D CA -0.187 53.871 54.000 0.098 0.000 0.867 8 D CB 0.766 41.599 40.800 0.055 0.000 1.050 8 D HN 0.520 nan 8.370 nan 0.000 0.491 9 W N 4.560 125.851 121.300 -0.015 0.000 2.317 9 W HA -0.223 4.437 4.660 -0.000 0.000 0.318 9 W C 0.714 177.226 176.519 -0.011 0.000 1.227 9 W CA 0.870 58.206 57.345 -0.015 0.000 1.269 9 W CB -0.025 29.426 29.460 -0.016 0.000 1.155 9 W HN 0.486 nan 8.180 nan 0.000 0.484 10 N N 0.303 119.109 118.700 0.177 0.000 2.571 10 N HA -0.083 4.657 4.740 -0.000 0.000 0.189 10 N C 1.432 176.922 175.510 -0.034 0.000 1.154 10 N CA 1.011 54.085 53.050 0.040 0.000 0.907 10 N CB -0.037 38.518 38.487 0.113 0.000 0.977 10 N HN 0.034 nan 8.380 nan 0.000 0.449 11 S N -0.069 115.611 115.700 -0.032 0.000 2.503 11 S HA 0.100 4.570 4.470 -0.000 0.000 0.217 11 S C 0.961 175.507 174.600 -0.090 0.000 0.999 11 S CA -0.275 57.899 58.200 -0.043 0.000 0.914 11 S CB 0.424 63.615 63.200 -0.015 0.000 0.782 11 S HN 0.315 nan 8.310 nan 0.000 0.520 12 C N 3.003 122.208 119.300 -0.159 0.000 2.580 12 C HA 0.460 4.920 4.460 -0.000 0.000 0.371 12 C C 1.447 176.302 174.990 -0.224 0.000 1.308 12 C CA -0.867 58.022 59.018 -0.214 0.000 2.428 12 C CB 0.331 27.857 27.740 -0.357 0.000 2.529 12 C HN 0.571 nan 8.230 nan 0.000 0.657 13 T N -0.383 114.059 114.554 -0.188 0.000 2.874 13 T HA 0.460 4.810 4.350 -0.000 0.000 0.281 13 T C 1.013 175.591 174.700 -0.204 0.000 0.994 13 T CA -0.028 61.979 62.100 -0.156 0.000 1.015 13 T CB 1.035 69.838 68.868 -0.107 0.000 1.028 13 T HN 0.807 nan 8.240 nan 0.000 0.523 14 A N 0.130 122.857 122.820 -0.155 0.000 1.908 14 A HA -0.117 4.203 4.320 -0.000 0.000 0.218 14 A C 2.296 179.800 177.584 -0.134 0.000 1.181 14 A CA 1.996 53.945 52.037 -0.146 0.000 0.627 14 A CB -1.162 17.788 19.000 -0.084 0.000 0.818 14 A HN 1.039 nan 8.150 nan 0.000 0.445 15 E N -0.338 119.799 120.200 -0.105 0.000 2.051 15 E HA -0.257 4.093 4.350 -0.000 0.000 0.192 15 E C 2.197 178.738 176.600 -0.099 0.000 0.991 15 E CA 1.428 57.779 56.400 -0.081 0.000 0.799 15 E CB -0.171 29.493 29.700 -0.060 0.000 0.748 15 E HN 0.794 nan 8.360 nan 0.000 0.449 16 Q N 0.070 119.792 119.800 -0.130 0.000 2.084 16 Q HA -0.210 4.130 4.340 -0.000 0.000 0.202 16 Q C 2.285 178.164 176.000 -0.202 0.000 0.978 16 Q CA 1.548 57.267 55.803 -0.139 0.000 0.844 16 Q CB -0.125 28.525 28.738 -0.145 0.000 0.898 16 Q HN 0.390 nan 8.270 nan 0.000 0.426 17 Q N 0.381 119.962 119.800 -0.364 0.000 2.124 17 Q HA -0.133 4.207 4.340 -0.000 0.000 0.202 17 Q C 2.065 177.980 176.000 -0.142 0.000 0.977 17 Q CA 1.052 56.496 55.803 -0.598 0.000 0.850 17 Q CB -0.061 28.102 28.738 -0.958 0.000 0.901 17 Q HN 0.321 nan 8.270 nan 0.000 0.429 18 R N 0.463 120.918 120.500 -0.075 0.000 2.090 18 R HA -0.095 4.245 4.340 -0.000 0.000 0.228 18 R C 2.136 178.455 176.300 0.033 0.000 1.110 18 R CA 1.115 57.225 56.100 0.018 0.000 0.973 18 R CB -0.062 30.237 30.300 -0.002 0.000 0.869 18 R HN 0.364 nan 8.270 nan 0.000 0.440 19 Q N 0.233 120.033 119.800 0.000 0.000 2.230 19 Q HA -0.065 4.275 4.340 -0.000 0.000 0.202 19 Q C 1.756 177.783 176.000 0.045 0.000 0.963 19 Q CA 0.602 56.415 55.803 0.016 0.000 0.866 19 Q CB 0.061 28.797 28.738 -0.004 0.000 0.931 19 Q HN 0.109 nan 8.270 nan 0.000 0.452 20 L N 0.142 121.398 121.223 0.056 0.000 2.201 20 L HA -0.013 4.327 4.340 -0.000 0.000 0.212 20 L C 0.852 177.802 176.870 0.134 0.000 1.105 20 L CA 1.407 56.309 54.840 0.105 0.000 0.775 20 L CB -0.192 41.968 42.059 0.169 0.000 0.913 20 L HN 0.103 nan 8.230 nan 0.000 0.440 24 P HA 0.083 nan 4.420 nan 0.000 0.262 24 P C -0.415 177.038 177.300 0.254 0.000 1.199 24 P CA 0.023 63.223 63.100 0.167 0.000 0.763 24 P CB 0.661 32.442 31.700 0.135 0.000 0.790 25 A N 4.330 127.249 122.820 0.165 0.000 2.366 25 A HA 0.363 4.683 4.320 -0.000 0.000 0.250 25 A C 0.747 178.416 177.584 0.141 0.000 1.099 25 A CA -0.612 51.541 52.037 0.194 0.000 0.794 25 A CB -0.140 18.914 19.000 0.090 0.000 1.056 25 A HN 0.668 nan 8.150 nan 0.000 0.499 26 I N -0.043 120.597 120.570 0.116 0.000 2.304 26 I HA 0.373 4.543 4.170 -0.000 0.000 0.291 26 I C 0.512 176.632 176.117 0.004 0.000 1.018 26 I CA -0.344 60.964 61.300 0.013 0.000 1.260 26 I CB 1.069 39.057 38.000 -0.020 0.000 1.390 26 I HN 0.472 nan 8.210 nan 0.000 0.475 27 S N 4.680 120.372 115.700 -0.013 0.000 2.506 27 S HA 0.272 4.742 4.470 -0.000 0.000 0.291 27 S C 1.445 176.027 174.600 -0.031 0.000 1.230 27 S CA -0.237 57.953 58.200 -0.017 0.000 1.107 27 S CB 1.122 64.308 63.200 -0.022 0.000 0.942 27 S HN 0.967 nan 8.310 nan 0.000 0.502 28 A N 4.066 126.874 122.820 -0.020 0.000 1.900 28 A HA -0.157 4.163 4.320 -0.000 0.000 0.225 28 A C 1.373 178.932 177.584 -0.042 0.000 1.414 28 A CA 2.016 54.038 52.037 -0.024 0.000 0.702 28 A CB -1.645 17.349 19.000 -0.010 0.000 0.845 28 A HN 2.391 nan 8.150 nan 0.000 0.478 29 S N -1.127 114.552 115.700 -0.035 0.000 3.772 29 S HA -0.140 4.330 4.470 -0.000 0.000 0.595 29 S C 0.515 175.099 174.600 -0.026 0.000 0.670 29 S CA 1.356 59.532 58.200 -0.039 0.000 1.415 29 S CB -1.791 61.364 63.200 -0.076 0.000 0.866 29 S HN 1.087 nan 8.310 nan 0.000 0.842 30 E N 2.185 122.379 120.200 -0.009 0.000 2.209 30 E HA -0.152 4.198 4.350 -0.000 0.000 0.196 30 E C 1.955 178.563 176.600 0.012 0.000 0.993 30 E CA 1.591 57.992 56.400 0.002 0.000 0.819 30 E CB -0.475 29.229 29.700 0.007 0.000 0.745 30 E HN 0.940 nan 8.360 nan 0.000 0.477 31 S N 1.089 116.798 115.700 0.014 0.000 2.387 31 S HA -0.133 4.337 4.470 -0.000 0.000 0.226 31 S C 2.143 176.779 174.600 0.059 0.000 1.026 31 S CA 0.740 58.962 58.200 0.038 0.000 0.972 31 S CB -0.417 62.807 63.200 0.041 0.000 0.814 31 S HN 0.466 nan 8.310 nan 0.000 0.477 32 I N 1.392 121.973 120.570 0.018 0.000 2.286 32 I HA -0.141 4.029 4.170 -0.000 0.000 0.245 32 I C 2.132 178.278 176.117 0.048 0.000 1.104 32 I CA 1.577 62.889 61.300 0.019 0.000 1.397 32 I CB -0.715 37.152 38.000 -0.222 0.000 1.072 32 I HN 0.298 nan 8.210 nan 0.000 0.417 33 T N 1.270 115.830 114.554 0.010 0.000 2.759 33 T HA -0.142 4.208 4.350 -0.000 0.000 0.269 33 T C 1.943 176.670 174.700 0.045 0.000 1.042 33 T CA 1.092 63.203 62.100 0.019 0.000 1.140 33 T CB -0.145 68.727 68.868 0.006 0.000 0.864 33 T HN 0.283 nan 8.240 nan 0.000 0.455 34 R N 0.598 121.129 120.500 0.052 0.000 2.093 34 R HA 0.110 4.450 4.340 -0.000 0.000 0.224 34 R C 2.683 179.030 176.300 0.078 0.000 1.101 34 R CA 0.945 57.080 56.100 0.057 0.000 0.979 34 R CB -1.278 29.051 30.300 0.049 0.000 0.877 34 R HN 0.340 nan 8.270 nan 0.000 0.441 35 T N 1.189 115.808 114.554 0.108 0.000 2.708 35 T HA -0.076 4.274 4.350 -0.000 0.000 0.266 35 T C 1.997 176.763 174.700 0.110 0.000 1.037 35 T CA 1.420 63.595 62.100 0.125 0.000 1.146 35 T CB -0.149 68.836 68.868 0.195 0.000 0.865 35 T HN -0.048 nan 8.240 nan 0.000 0.435 36 V N 2.432 122.426 119.914 0.133 0.000 2.358 36 V HA -0.144 3.976 4.120 -0.000 0.000 0.246 36 V C 2.591 178.729 176.094 0.074 0.000 1.047 36 V CA 1.359 63.720 62.300 0.101 0.000 1.035 36 V CB -0.636 31.253 31.823 0.109 0.000 0.658 36 V HN 0.456 nan 8.190 nan 0.000 0.452 37 N N 0.687 119.430 118.700 0.072 0.000 2.061 37 N HA -0.202 4.538 4.740 -0.000 0.000 0.193 37 N C 1.520 177.073 175.510 0.072 0.000 1.030 37 N CA 1.950 55.040 53.050 0.067 0.000 0.856 37 N CB -0.276 38.243 38.487 0.053 0.000 1.023 37 N HN 0.455 nan 8.380 nan 0.000 0.424 38 D N 0.150 120.594 120.400 0.074 0.000 2.183 38 D HA -0.006 4.633 4.640 -0.000 0.000 0.203 38 D C 2.086 178.453 176.300 0.113 0.000 0.969 38 D CA 0.343 54.393 54.000 0.083 0.000 0.842 38 D CB -0.063 40.789 40.800 0.087 0.000 0.957 38 D HN 0.393 nan 8.370 nan 0.000 0.484 39 I N 0.167 120.791 120.570 0.091 0.000 2.252 39 I HA -0.226 3.944 4.170 -0.000 0.000 0.245 39 I C 1.957 178.145 176.117 0.118 0.000 1.102 39 I CA 0.459 61.797 61.300 0.064 0.000 1.385 39 I CB 0.022 37.935 38.000 -0.146 0.000 1.064 39 I HN -0.028 nan 8.210 nan 0.000 0.414 40 L N 0.390 121.692 121.223 0.133 0.000 2.017 40 L HA -0.233 4.107 4.340 -0.000 0.000 0.208 40 L C 2.095 179.079 176.870 0.189 0.000 1.073 40 L CA 1.853 56.856 54.840 0.271 0.000 0.745 40 L CB -0.911 41.327 42.059 0.298 0.000 0.894 40 L HN 0.197 nan 8.230 nan 0.000 0.432 41 D N -1.012 119.433 120.400 0.074 0.000 2.117 41 D HA -0.207 4.433 4.640 -0.000 0.000 0.197 41 D C 1.979 178.269 176.300 -0.017 0.000 0.987 41 D CA 1.201 55.184 54.000 -0.028 0.000 0.829 41 D CB -0.272 40.523 40.800 -0.009 0.000 0.961 41 D HN 0.444 nan 8.370 nan 0.000 0.460 42 N N 0.243 118.980 118.700 0.062 0.000 2.120 42 N HA -0.128 4.612 4.740 -0.000 0.000 0.188 42 N C 1.799 177.357 175.510 0.080 0.000 1.024 42 N CA 0.744 53.837 53.050 0.072 0.000 0.852 42 N CB 0.235 38.809 38.487 0.144 0.000 1.003 42 N HN -0.081 nan 8.380 nan 0.000 0.424 43 V N 1.427 121.433 119.914 0.153 0.000 2.427 43 V HA -0.180 3.940 4.120 -0.000 0.000 0.248 43 V C 2.392 178.538 176.094 0.087 0.000 1.051 43 V CA 1.474 63.869 62.300 0.158 0.000 1.048 43 V CB -0.500 31.459 31.823 0.228 0.000 0.666 43 V HN 0.350 nan 8.190 nan 0.000 0.456 44 K N 0.152 120.534 120.400 -0.030 0.000 2.097 44 K HA -0.114 4.206 4.320 -0.000 0.000 0.205 44 K C 2.130 178.641 176.600 -0.149 0.000 1.050 44 K CA 1.405 57.547 56.287 -0.241 0.000 0.938 44 K CB -0.188 31.828 32.500 -0.807 0.000 0.718 44 K HN 0.436 nan 8.250 nan 0.000 0.442 45 A N 1.139 123.891 122.820 -0.112 0.000 1.898 45 A HA -0.027 4.293 4.320 -0.000 0.000 0.214 45 A C 1.591 179.147 177.584 -0.048 0.000 1.183 45 A CA 0.918 52.907 52.037 -0.079 0.000 0.622 45 A CB -0.060 18.900 19.000 -0.067 0.000 0.824 45 A HN 0.267 nan 8.150 nan 0.000 0.444 46 R N -0.846 119.635 120.500 -0.031 0.000 2.577 46 R HA 0.300 4.640 4.340 -0.000 0.000 0.344 46 R C 1.237 177.528 176.300 -0.016 0.000 1.037 46 R CA 0.246 56.330 56.100 -0.028 0.000 1.102 46 R CB 0.159 30.434 30.300 -0.042 0.000 1.313 46 R HN 0.535 nan 8.270 nan 0.000 0.561 47 G N 2.444 111.245 108.800 0.002 0.000 2.660 47 G HA2 -0.421 3.539 3.960 -0.000 0.000 0.338 47 G HA3 -0.421 3.539 3.960 -0.000 0.000 0.338 47 G C 0.472 175.378 174.900 0.010 0.000 1.336 47 G CA 0.984 46.091 45.100 0.012 0.000 0.990 47 G HN 0.286 nan 8.290 nan 0.000 0.537 48 D N 0.208 120.609 120.400 0.002 0.000 2.158 48 D HA -0.066 4.574 4.640 -0.000 0.000 0.197 48 D C 2.116 178.410 176.300 -0.010 0.000 0.995 48 D CA 1.544 55.547 54.000 0.003 0.000 0.846 48 D CB -0.372 40.432 40.800 0.007 0.000 0.941 48 D HN 0.690 nan 8.370 nan 0.000 0.456 49 E N 0.317 120.502 120.200 -0.024 0.000 2.058 49 E HA -0.216 4.134 4.350 -0.000 0.000 0.194 49 E C 2.007 178.554 176.600 -0.089 0.000 0.997 49 E CA 1.267 57.637 56.400 -0.049 0.000 0.801 49 E CB -0.021 29.650 29.700 -0.049 0.000 0.746 49 E HN 0.222 nan 8.360 nan 0.000 0.450 50 A N 0.861 123.633 122.820 -0.080 0.000 1.877 50 A HA -0.166 4.154 4.320 -0.000 0.000 0.216 50 A C 2.210 179.722 177.584 -0.119 0.000 1.186 50 A CA 1.311 53.260 52.037 -0.146 0.000 0.620 50 A CB -0.708 18.278 19.000 -0.023 0.000 0.822 50 A HN 0.293 nan 8.150 nan 0.000 0.443 51 L N -1.052 120.191 121.223 0.034 0.000 2.017 51 L HA -0.206 4.134 4.340 -0.000 0.000 0.208 51 L C 2.867 179.745 176.870 0.014 0.000 1.073 51 L CA 1.573 56.473 54.840 0.099 0.000 0.745 51 L CB -0.608 41.494 42.059 0.072 0.000 0.894 51 L HN 0.353 nan 8.230 nan 0.000 0.432 52 R N 0.169 120.652 120.500 -0.029 0.000 2.096 52 R HA -0.166 4.174 4.340 -0.000 0.000 0.235 52 R C 2.156 178.398 176.300 -0.097 0.000 1.127 52 R CA 1.328 57.403 56.100 -0.043 0.000 0.968 52 R CB -0.300 29.981 30.300 -0.031 0.000 0.861 52 R HN 0.490 nan 8.270 nan 0.000 0.440 53 E N -0.154 119.940 120.200 -0.176 0.000 2.077 53 E HA -0.198 4.152 4.350 -0.000 0.000 0.193 53 E C 1.762 178.182 176.600 -0.300 0.000 0.989 53 E CA 1.375 57.623 56.400 -0.252 0.000 0.800 53 E CB -0.146 29.333 29.700 -0.368 0.000 0.746 53 E HN 0.427 nan 8.360 nan 0.000 0.452 54 Y N 0.336 120.499 120.300 -0.229 0.000 2.114 54 Y HA -0.272 4.278 4.550 0.000 0.000 0.284 54 Y C 2.971 178.522 175.900 -0.582 0.000 1.143 54 Y CA 1.139 58.959 58.100 -0.467 0.000 1.135 54 Y CB -0.327 37.867 38.460 -0.443 0.000 0.980 54 Y HN 0.048 nan 8.280 nan 0.000 0.499 55 S N 0.194 115.797 115.700 -0.163 0.000 2.365 55 S HA -0.313 4.157 4.470 -0.000 0.000 0.225 55 S C 2.236 176.808 174.600 -0.046 0.000 1.039 55 S CA 1.396 59.539 58.200 -0.094 0.000 1.033 55 S CB -0.648 62.543 63.200 -0.015 0.000 0.887 55 S HN 0.463 nan 8.310 nan 0.000 0.447 56 A N 0.771 123.560 122.820 -0.052 0.000 1.978 56 A HA -0.098 4.222 4.320 -0.000 0.000 0.220 56 A C 2.133 179.738 177.584 0.035 0.000 1.170 56 A CA 1.919 53.950 52.037 -0.010 0.000 0.636 56 A CB -0.581 18.400 19.000 -0.031 0.000 0.810 56 A HN 0.666 nan 8.150 nan 0.000 0.448 57 K N -2.003 118.410 120.400 0.023 0.000 2.426 57 K HA 0.203 4.523 4.320 -0.000 0.000 0.193 57 K C 0.870 177.797 176.600 0.545 0.000 1.028 57 K CA 0.394 56.794 56.287 0.190 0.000 1.047 57 K CB -0.060 32.542 32.500 0.171 0.000 0.821 57 K HN 0.627 nan 8.250 nan 0.000 0.513 58 F N -0.634 119.343 119.950 0.045 0.000 2.532 58 F HA 0.041 4.568 4.527 -0.000 0.000 0.276 58 F C 1.481 177.301 175.800 0.033 0.000 0.911 58 F CA -0.774 57.247 58.000 0.034 0.000 1.196 58 F CB 0.072 39.092 39.000 0.034 0.000 1.087 58 F HN -0.079 nan 8.300 nan 0.000 0.775 59 D N 0.984 121.536 120.400 0.253 0.000 2.158 59 D HA -0.153 4.487 4.640 -0.000 0.000 0.197 59 D C 1.184 177.546 176.300 0.103 0.000 0.995 59 D CA 1.618 55.706 54.000 0.147 0.000 0.846 59 D CB -0.138 40.727 40.800 0.109 0.000 0.941 59 D HN 0.315 nan 8.370 nan 0.000 0.456 60 K N -2.113 118.343 120.400 0.093 0.000 10.370 60 K HA -0.137 4.183 4.320 -0.000 0.000 0.516 60 K C 0.029 176.661 176.600 0.053 0.000 0.421 60 K CA 1.645 57.970 56.287 0.065 0.000 1.936 60 K CB -1.517 31.016 32.500 0.056 0.000 0.739 60 K HN 0.082 nan 8.250 nan 0.000 1.154 61 T N 3.275 117.860 114.554 0.050 0.000 2.733 61 T HA 0.277 4.627 4.350 -0.000 0.000 0.294 61 T C -0.372 174.352 174.700 0.040 0.000 0.956 61 T CA -0.167 61.957 62.100 0.040 0.000 0.987 61 T CB 1.275 70.163 68.868 0.034 0.000 0.920 61 T HN 0.187 nan 8.240 nan 0.000 0.470 62 T N 3.393 117.966 114.554 0.032 0.000 2.891 62 T HA 0.036 4.386 4.350 -0.000 0.000 0.296 62 T C 0.861 175.578 174.700 0.027 0.000 1.025 62 T CA -0.151 61.963 62.100 0.025 0.000 1.149 62 T CB 0.419 69.293 68.868 0.011 0.000 1.007 62 T HN 0.500 nan 8.240 nan 0.000 0.528 63 V N 4.542 124.475 119.914 0.032 0.000 2.872 63 V HA 0.193 4.313 4.120 -0.000 0.000 0.307 63 V C 1.204 177.317 176.094 0.032 0.000 1.072 63 V CA 1.397 63.720 62.300 0.039 0.000 1.148 63 V CB 1.020 32.873 31.823 0.051 0.000 0.954 63 V HN 1.211 nan 8.190 nan 0.000 0.490 64 T N 3.530 118.105 114.554 0.036 0.000 3.518 64 T HA 0.474 4.824 4.350 -0.000 0.000 0.211 64 T C 0.769 175.494 174.700 0.042 0.000 0.940 64 T CA 0.333 62.452 62.100 0.031 0.000 1.307 64 T CB -0.366 68.517 68.868 0.025 0.000 1.392 64 T HN 1.372 nan 8.240 nan 0.000 0.382 65 A N 1.644 124.490 122.820 0.044 0.000 2.451 65 A HA 0.580 4.900 4.320 -0.000 0.000 0.266 65 A C 1.216 178.850 177.584 0.085 0.000 1.119 65 A CA -0.402 51.670 52.037 0.057 0.000 0.786 65 A CB -0.457 18.569 19.000 0.043 0.000 1.061 65 A HN 0.645 nan 8.150 nan 0.000 0.503 66 L N 1.792 123.090 121.223 0.125 0.000 2.109 66 L HA -0.002 4.338 4.340 -0.000 0.000 0.207 66 L C 1.576 178.608 176.870 0.270 0.000 1.086 66 L CA 1.050 56.007 54.840 0.196 0.000 0.760 66 L CB -0.123 42.060 42.059 0.207 0.000 0.910 66 L HN 0.733 nan 8.230 nan 0.000 0.437 67 K N 0.713 121.238 120.400 0.208 0.000 2.234 67 K HA 0.265 4.585 4.320 -0.000 0.000 0.282 67 K C -0.679 175.878 176.600 -0.072 0.000 1.039 67 K CA -0.439 55.840 56.287 -0.015 0.000 0.928 67 K CB 1.348 33.825 32.500 -0.037 0.000 1.039 67 K HN -0.243 nan 8.250 nan 0.000 0.470 68 V N 4.244 124.067 119.914 -0.152 0.000 2.555 68 V HA 0.005 4.125 4.120 -0.000 0.000 0.286 68 V C 0.417 176.454 176.094 -0.095 0.000 1.044 68 V CA -0.265 61.980 62.300 -0.093 0.000 1.026 68 V CB 0.978 32.744 31.823 -0.096 0.000 0.981 68 V HN 0.986 nan 8.190 nan 0.000 0.480 69 S N 4.404 120.072 115.700 -0.053 0.000 2.614 69 S HA 0.479 4.949 4.470 -0.000 0.000 0.265 69 S C 1.297 175.870 174.600 -0.044 0.000 1.303 69 S CA -0.064 58.110 58.200 -0.044 0.000 1.000 69 S CB 1.517 64.704 63.200 -0.023 0.000 0.935 69 S HN 1.004 nan 8.310 nan 0.000 0.551 70 A N 0.763 123.560 122.820 -0.039 0.000 2.019 70 A HA -0.031 4.289 4.320 -0.000 0.000 0.219 70 A C 1.910 179.482 177.584 -0.021 0.000 1.164 70 A CA 1.540 53.557 52.037 -0.034 0.000 0.644 70 A CB -0.954 18.028 19.000 -0.029 0.000 0.805 70 A HN 0.859 nan 8.150 nan 0.000 0.449 71 E N 0.210 120.400 120.200 -0.017 0.000 2.107 71 E HA -0.101 4.249 4.350 -0.000 0.000 0.191 71 E C 1.851 178.446 176.600 -0.008 0.000 0.982 71 E CA 1.360 57.754 56.400 -0.010 0.000 0.809 71 E CB -0.269 29.426 29.700 -0.008 0.000 0.756 71 E HN 0.758 nan 8.360 nan 0.000 0.459 72 E N 0.100 120.293 120.200 -0.011 0.000 2.150 72 E HA -0.099 4.251 4.350 -0.000 0.000 0.193 72 E C 1.960 178.556 176.600 -0.006 0.000 0.985 72 E CA 0.623 57.018 56.400 -0.008 0.000 0.814 72 E CB -0.068 29.626 29.700 -0.011 0.000 0.752 72 E HN 0.253 nan 8.360 nan 0.000 0.466 73 I N 0.868 121.431 120.570 -0.012 0.000 2.252 73 I HA -0.229 3.941 4.170 -0.000 0.000 0.245 73 I C 2.457 178.583 176.117 0.017 0.000 1.102 73 I CA 0.851 62.149 61.300 -0.004 0.000 1.385 73 I CB -0.171 37.814 38.000 -0.026 0.000 1.064 73 I HN 0.085 nan 8.210 nan 0.000 0.414 74 A N 0.551 123.376 122.820 0.009 0.000 1.930 74 A HA -0.105 4.215 4.320 -0.000 0.000 0.217 74 A C 2.491 180.084 177.584 0.014 0.000 1.175 74 A CA 1.654 53.702 52.037 0.019 0.000 0.627 74 A CB -0.697 18.308 19.000 0.007 0.000 0.815 74 A HN 0.424 nan 8.150 nan 0.000 0.443 75 A N -0.117 122.705 122.820 0.004 0.000 1.930 75 A HA 0.219 4.539 4.320 -0.000 0.000 0.217 75 A C 2.476 180.056 177.584 -0.007 0.000 1.175 75 A CA 1.841 53.877 52.037 -0.003 0.000 0.627 75 A CB -0.919 18.078 19.000 -0.005 0.000 0.815 75 A HN 0.981 nan 8.150 nan 0.000 0.443 76 A N -0.283 122.538 122.820 0.001 0.000 1.902 76 A HA -0.075 4.245 4.320 -0.000 0.000 0.217 76 A C 2.408 179.983 177.584 -0.014 0.000 1.181 76 A CA 2.057 54.092 52.037 -0.004 0.000 0.623 76 A CB -0.860 18.147 19.000 0.011 0.000 0.818 76 A HN 0.463 nan 8.150 nan 0.000 0.443 77 S N -0.364 115.354 115.700 0.030 0.000 2.399 77 S HA -0.140 4.330 4.470 -0.000 0.000 0.231 77 S C 1.901 176.446 174.600 -0.092 0.000 1.022 77 S CA 1.197 59.407 58.200 0.017 0.000 0.983 77 S CB -0.224 63.100 63.200 0.206 0.000 0.803 77 S HN 0.645 nan 8.310 nan 0.000 0.480 78 E N 1.699 121.871 120.200 -0.048 0.000 2.208 78 E HA -0.037 4.312 4.350 -0.000 0.000 0.193 78 E C 1.873 178.428 176.600 -0.074 0.000 0.988 78 E CA 0.640 57.007 56.400 -0.056 0.000 0.828 78 E CB -0.041 29.641 29.700 -0.029 0.000 0.763 78 E HN 0.441 nan 8.360 nan 0.000 0.478 79 R N -0.226 120.230 120.500 -0.073 0.000 2.193 79 R HA 0.126 4.466 4.340 -0.000 0.000 0.213 79 R C 0.882 177.118 176.300 -0.107 0.000 1.055 79 R CA 0.055 56.111 56.100 -0.074 0.000 0.995 79 R CB 0.080 30.347 30.300 -0.055 0.000 0.893 79 R HN 0.111 nan 8.270 nan 0.000 0.459 80 L N 1.477 122.602 121.223 -0.164 0.000 2.436 80 L HA 0.086 4.426 4.340 -0.000 0.000 0.265 80 L C 0.823 177.574 176.870 -0.197 0.000 1.168 80 L CA -0.386 54.325 54.840 -0.216 0.000 0.815 80 L CB 1.043 42.883 42.059 -0.365 0.000 1.109 80 L HN 0.115 nan 8.230 nan 0.000 0.462 81 S N -0.349 115.250 115.700 -0.168 0.000 2.592 81 S HA 0.079 4.549 4.470 -0.000 0.000 0.271 81 S C 0.476 174.988 174.600 -0.146 0.000 1.326 81 S CA -0.763 57.359 58.200 -0.129 0.000 1.024 81 S CB 1.313 64.458 63.200 -0.092 0.000 0.921 81 S HN 0.568 nan 8.310 nan 0.000 0.527 82 D N 0.867 121.204 120.400 -0.106 0.000 2.144 82 D HA -0.105 4.535 4.640 -0.000 0.000 0.199 82 D C 1.763 178.019 176.300 -0.074 0.000 0.984 82 D CA 1.454 55.400 54.000 -0.091 0.000 0.834 82 D CB -0.330 40.435 40.800 -0.058 0.000 0.955 82 D HN 0.884 nan 8.370 nan 0.000 0.465 83 E N 0.091 120.254 120.200 -0.062 0.000 2.038 83 E HA -0.197 4.153 4.350 -0.000 0.000 0.195 83 E C 2.082 178.653 176.600 -0.048 0.000 1.000 83 E CA 0.689 57.063 56.400 -0.044 0.000 0.803 83 E CB -0.099 29.578 29.700 -0.038 0.000 0.750 83 E HN 0.094 nan 8.360 nan 0.000 0.448 84 L N 1.476 122.654 121.223 -0.076 0.000 2.046 84 L HA -0.158 4.182 4.340 -0.000 0.000 0.208 84 L C 2.050 178.869 176.870 -0.085 0.000 1.077 84 L CA 1.898 56.689 54.840 -0.081 0.000 0.747 84 L CB -0.348 41.631 42.059 -0.134 0.000 0.896 84 L HN 0.008 nan 8.230 nan 0.000 0.432 85 K N -0.938 119.368 120.400 -0.157 0.000 2.097 85 K HA -0.203 4.117 4.320 -0.000 0.000 0.206 85 K C 2.107 178.726 176.600 0.032 0.000 1.049 85 K CA 1.792 58.008 56.287 -0.119 0.000 0.933 85 K CB -0.211 32.132 32.500 -0.261 0.000 0.717 85 K HN 0.477 nan 8.250 nan 0.000 0.442 86 Q N 0.513 120.315 119.800 0.003 0.000 2.119 86 Q HA -0.029 4.311 4.340 -0.000 0.000 0.201 86 Q C 0.895 176.922 176.000 0.044 0.000 0.972 86 Q CA 0.866 56.685 55.803 0.026 0.000 0.847 86 Q CB -0.080 28.661 28.738 0.006 0.000 0.903 86 Q HN 0.291 nan 8.270 nan 0.000 0.433 90 V N 1.312 121.267 119.914 0.067 0.000 2.295 90 V HA -0.178 3.942 4.120 -0.000 0.000 0.246 90 V C 3.041 179.179 176.094 0.073 0.000 1.049 90 V CA 2.730 65.066 62.300 0.060 0.000 1.024 90 V CB -1.130 30.727 31.823 0.055 0.000 0.648 90 V HN 0.735 nan 8.190 nan 0.000 0.447 91 A N -0.282 122.595 122.820 0.095 0.000 1.865 91 A HA -0.199 4.121 4.320 -0.000 0.000 0.217 91 A C 2.404 180.036 177.584 0.081 0.000 1.191 91 A CA 2.301 54.403 52.037 0.109 0.000 0.623 91 A CB -0.874 18.220 19.000 0.157 0.000 0.826 91 A HN 0.320 nan 8.150 nan 0.000 0.444 92 V N 0.345 120.299 119.914 0.067 0.000 2.392 92 V HA -0.281 3.839 4.120 -0.000 0.000 0.249 92 V C 2.573 178.684 176.094 0.028 0.000 1.059 92 V CA 2.431 64.748 62.300 0.029 0.000 1.051 92 V CB -0.638 31.190 31.823 0.008 0.000 0.658 92 V HN 0.704 nan 8.190 nan 0.000 0.455 93 K N 0.099 120.522 120.400 0.039 0.000 2.057 93 K HA -0.221 4.099 4.320 -0.000 0.000 0.207 93 K C 1.975 178.610 176.600 0.058 0.000 1.049 93 K CA 1.883 58.193 56.287 0.038 0.000 0.931 93 K CB -0.142 32.379 32.500 0.036 0.000 0.714 93 K HN 0.442 nan 8.250 nan 0.000 0.440 94 N N 0.927 119.669 118.700 0.070 0.000 2.216 94 N HA -0.093 4.647 4.740 -0.000 0.000 0.183 94 N C 1.871 177.466 175.510 0.143 0.000 1.017 94 N CA 1.092 54.196 53.050 0.089 0.000 0.861 94 N CB -0.175 38.356 38.487 0.073 0.000 0.986 94 N HN 0.238 nan 8.380 nan 0.000 0.428 95 I N 1.237 121.888 120.570 0.135 0.000 2.179 95 I HA -0.244 3.926 4.170 -0.000 0.000 0.242 95 I C 2.435 178.692 176.117 0.233 0.000 1.088 95 I CA 1.145 62.569 61.300 0.208 0.000 1.357 95 I CB -0.205 37.822 38.000 0.045 0.000 1.051 95 I HN 0.217 nan 8.210 nan 0.000 0.409 96 E N 0.604 120.859 120.200 0.092 0.000 2.051 96 E HA -0.224 4.126 4.350 -0.000 0.000 0.192 96 E C 2.069 178.732 176.600 0.104 0.000 0.991 96 E CA 1.998 58.433 56.400 0.058 0.000 0.799 96 E CB 0.030 29.734 29.700 0.007 0.000 0.748 96 E HN 0.381 nan 8.360 nan 0.000 0.449 97 T N 0.507 115.130 114.554 0.115 0.000 2.684 97 T HA -0.175 4.175 4.350 -0.000 0.000 0.267 97 T C 1.373 176.165 174.700 0.153 0.000 1.036 97 T CA 1.380 63.545 62.100 0.109 0.000 1.148 97 T CB -0.454 68.474 68.868 0.100 0.000 0.863 97 T HN 0.246 nan 8.240 nan 0.000 0.436 98 F N 1.525 121.498 119.950 0.039 0.000 2.146 98 F HA -0.066 4.461 4.527 -0.000 0.000 0.298 98 F C 2.198 177.950 175.800 -0.080 0.000 1.096 98 F CA 1.304 59.287 58.000 -0.028 0.000 1.275 98 F CB -0.541 38.424 39.000 -0.059 0.000 1.008 98 F HN 0.247 nan 8.300 nan 0.000 0.480 99 H N -1.217 117.791 119.070 -0.104 0.000 2.428 99 H HA -0.036 4.520 4.556 -0.000 0.000 0.296 99 H C 2.255 177.468 175.328 -0.191 0.000 1.062 99 H CA 1.809 57.715 56.048 -0.237 0.000 1.350 99 H CB -0.730 28.957 29.762 -0.125 0.000 1.403 99 H HN 0.160 nan 8.280 nan 0.000 0.533 100 T N 0.035 114.584 114.554 -0.008 0.000 2.788 100 T HA -0.128 4.222 4.350 -0.000 0.000 0.268 100 T C 2.223 176.880 174.700 -0.072 0.000 1.044 100 T CA 1.097 63.177 62.100 -0.032 0.000 1.139 100 T CB -0.398 68.465 68.868 -0.008 0.000 0.867 100 T HN 0.499 nan 8.240 nan 0.000 0.454 101 A N 0.987 123.743 122.820 -0.106 0.000 2.216 101 A HA -0.050 4.270 4.320 -0.000 0.000 0.214 101 A C 2.016 179.491 177.584 -0.182 0.000 1.160 101 A CA 0.882 52.848 52.037 -0.119 0.000 0.725 101 A CB -0.430 18.516 19.000 -0.089 0.000 0.784 101 A HN 0.554 nan 8.150 nan 0.000 0.472 102 Q N -0.029 119.623 119.800 -0.247 0.000 2.403 102 Q HA 0.063 4.403 4.340 -0.000 0.000 0.203 102 Q C -0.169 175.762 176.000 -0.116 0.000 0.932 102 Q CA 0.004 55.669 55.803 -0.231 0.000 0.945 102 Q CB 0.114 28.667 28.738 -0.309 0.000 1.045 102 Q HN 0.515 nan 8.270 nan 0.000 0.511 103 K N 1.455 121.805 120.400 -0.083 0.000 2.511 103 K HA 0.008 4.328 4.320 -0.000 0.000 0.280 103 K C -0.286 176.290 176.600 -0.039 0.000 1.008 103 K CA 0.236 56.495 56.287 -0.047 0.000 1.050 103 K CB 0.465 32.944 32.500 -0.036 0.000 0.889 103 K HN 0.155 nan 8.250 nan 0.000 0.484 104 L N 5.308 126.516 121.223 -0.025 0.000 2.416 104 L HA 0.163 4.503 4.340 -0.000 0.000 0.272 104 L C -1.717 175.144 176.870 -0.015 0.000 1.161 104 L CA -1.978 52.850 54.840 -0.019 0.000 0.845 104 L CB 0.037 42.090 42.059 -0.010 0.000 1.119 104 L HN 0.429 nan 8.230 nan 0.000 0.464 105 P HA 0.233 nan 4.420 nan 0.000 0.274 105 P C -2.421 174.875 177.300 -0.006 0.000 1.246 105 P CA -1.074 62.020 63.100 -0.010 0.000 0.795 105 P CB -0.258 31.436 31.700 -0.010 0.000 1.006 106 P HA 0.046 nan 4.420 nan 0.000 0.269 106 P C -1.012 176.287 177.300 -0.000 0.000 1.209 106 P CA 0.212 63.312 63.100 -0.001 0.000 0.776 106 P CB 0.444 32.144 31.700 -0.001 0.000 0.876 107 V N 3.376 123.291 119.914 0.001 0.000 2.376 107 V HA 0.315 4.435 4.120 -0.000 0.000 0.287 107 V C -0.328 175.769 176.094 0.004 0.000 1.015 107 V CA 0.015 62.316 62.300 0.002 0.000 0.834 107 V CB 1.139 32.964 31.823 0.003 0.000 1.001 107 V HN 0.612 nan 8.190 nan 0.000 0.428 108 D N 3.869 124.271 120.400 0.004 0.000 2.365 108 D HA 0.453 5.093 4.640 -0.000 0.000 0.235 108 D C -1.571 174.732 176.300 0.005 0.000 1.368 108 D CA -0.019 53.984 54.000 0.005 0.000 1.001 108 D CB 2.048 42.851 40.800 0.005 0.000 1.364 108 D HN 0.376 nan 8.370 nan 0.000 0.577 109 V N 2.793 122.711 119.914 0.007 0.000 2.971 109 V HA 0.498 4.618 4.120 -0.000 0.000 0.309 109 V C -1.123 174.976 176.094 0.008 0.000 1.130 109 V CA -0.623 61.681 62.300 0.007 0.000 0.964 109 V CB 2.241 34.068 31.823 0.005 0.000 1.029 109 V HN 0.374 nan 8.190 nan 0.000 0.427 110 E N 3.494 123.699 120.200 0.008 0.000 2.044 110 E HA 0.185 4.535 4.350 -0.000 0.000 0.282 110 E C 0.891 177.495 176.600 0.008 0.000 1.031 110 E CA 0.370 56.776 56.400 0.010 0.000 0.824 110 E CB 1.552 31.258 29.700 0.009 0.000 1.076 110 E HN 0.944 nan 8.360 nan 0.000 0.395 111 T N 0.645 115.204 114.554 0.008 0.000 2.833 111 T HA -0.219 4.131 4.350 -0.000 0.000 0.269 111 T C 0.780 175.482 174.700 0.003 0.000 1.054 111 T CA 1.009 63.112 62.100 0.006 0.000 1.135 111 T CB -0.051 68.821 68.868 0.007 0.000 0.869 111 T HN 0.567 nan 8.240 nan 0.000 0.466 112 Q N -0.111 119.692 119.800 0.004 0.000 2.511 112 Q HA 0.555 4.895 4.340 -0.000 0.000 0.289 112 Q C -3.495 172.508 176.000 0.005 0.000 1.021 112 Q CA -2.867 52.936 55.803 0.001 0.000 0.785 112 Q CB 1.081 29.816 28.738 -0.005 0.000 1.472 112 Q HN -0.078 nan 8.270 nan 0.000 0.411 113 P HA 0.051 nan 4.420 nan 0.000 0.261 113 P C 0.519 177.827 177.300 0.014 0.000 1.183 113 P CA 1.967 65.072 63.100 0.008 0.000 0.761 113 P CB 0.281 31.984 31.700 0.006 0.000 0.785 114 G N 1.796 110.608 108.800 0.019 0.000 2.179 114 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.260 114 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.260 114 G C 0.017 174.939 174.900 0.037 0.000 0.977 114 G CA -0.118 44.999 45.100 0.030 0.000 0.641 114 G HN 0.516 nan 8.290 nan 0.000 0.533 115 V N 1.448 121.379 119.914 0.028 0.000 2.250 115 V HA 0.437 4.557 4.120 -0.000 0.000 0.268 115 V C 0.655 176.763 176.094 0.025 0.000 1.043 115 V CA -0.589 61.730 62.300 0.032 0.000 0.814 115 V CB 1.066 32.904 31.823 0.025 0.000 1.072 115 V HN 0.418 nan 8.190 nan 0.000 0.451 116 R N 3.336 123.851 120.500 0.025 0.000 2.196 116 R HA 0.518 4.858 4.340 -0.000 0.000 0.340 116 R C -1.004 175.307 176.300 0.018 0.000 1.043 116 R CA -0.188 55.923 56.100 0.019 0.000 0.883 116 R CB 0.589 30.900 30.300 0.017 0.000 1.078 116 R HN 0.641 nan 8.270 nan 0.000 0.462 117 C N 4.123 123.433 119.300 0.015 0.000 2.351 117 C HA 0.479 4.939 4.460 -0.000 0.000 0.326 117 C C -0.437 174.559 174.990 0.011 0.000 1.272 117 C CA -0.603 58.424 59.018 0.015 0.000 1.650 117 C CB 1.447 29.196 27.740 0.014 0.000 2.257 117 C HN 0.802 nan 8.230 nan 0.000 0.505 118 Q N 1.114 120.920 119.800 0.011 0.000 2.451 118 Q HA 0.564 4.904 4.340 -0.000 0.000 0.281 118 Q C -1.164 174.841 176.000 0.009 0.000 1.099 118 Q CA -0.561 55.247 55.803 0.009 0.000 0.806 118 Q CB 2.447 31.190 28.738 0.008 0.000 1.419 118 Q HN 0.746 nan 8.270 nan 0.000 0.427 119 Q N 1.582 121.386 119.800 0.007 0.000 2.325 119 Q HA 0.583 4.923 4.340 -0.000 0.000 0.270 119 Q C -1.379 174.625 176.000 0.007 0.000 1.020 119 Q CA -0.581 55.226 55.803 0.007 0.000 0.785 119 Q CB 1.798 30.540 28.738 0.006 0.000 1.259 119 Q HN 0.584 nan 8.270 nan 0.000 0.452 120 V N 0.249 120.168 119.914 0.008 0.000 3.126 120 V HA 0.832 4.952 4.120 -0.000 0.000 0.314 120 V C -0.309 175.791 176.094 0.010 0.000 1.138 120 V CA -0.564 61.741 62.300 0.008 0.000 1.034 120 V CB 1.626 33.454 31.823 0.008 0.000 1.075 120 V HN 0.852 nan 8.190 nan 0.000 0.442 121 T N 0.190 114.751 114.554 0.012 0.000 2.912 121 T HA 0.835 5.185 4.350 -0.000 0.000 0.288 121 T C -0.609 174.103 174.700 0.020 0.000 1.030 121 T CA -0.888 61.222 62.100 0.017 0.000 1.020 121 T CB 2.030 70.909 68.868 0.019 0.000 1.056 121 T HN 0.868 nan 8.240 nan 0.000 0.480 122 R N 1.766 122.282 120.500 0.026 0.000 2.621 122 R HA 0.541 4.881 4.340 -0.000 0.000 0.284 122 R C -2.991 173.334 176.300 0.041 0.000 0.998 122 R CA -2.368 53.749 56.100 0.028 0.000 0.895 122 R CB 2.090 32.404 30.300 0.024 0.000 1.195 122 R HN 0.575 nan 8.270 nan 0.000 0.450 123 P HA 0.090 nan 4.420 nan 0.000 0.274 123 P C -0.036 177.308 177.300 0.075 0.000 1.231 123 P CA -0.345 62.796 63.100 0.069 0.000 0.790 123 P CB 0.852 32.586 31.700 0.057 0.000 0.951 124 V N 2.917 122.894 119.914 0.105 0.000 2.521 124 V HA 0.044 4.164 4.120 -0.000 0.000 0.286 124 V C 1.951 178.103 176.094 0.098 0.000 1.034 124 V CA 0.794 63.153 62.300 0.099 0.000 1.045 124 V CB 0.157 32.059 31.823 0.132 0.000 0.974 124 V HN 0.748 nan 8.190 nan 0.000 0.480 125 A N 4.627 127.490 122.820 0.073 0.000 1.877 125 A HA 0.002 4.322 4.320 -0.000 0.000 0.216 125 A C 1.161 178.789 177.584 0.073 0.000 1.186 125 A CA 1.511 53.585 52.037 0.063 0.000 0.620 125 A CB -0.144 18.885 19.000 0.047 0.000 0.822 125 A HN 1.033 nan 8.150 nan 0.000 0.443 126 S N -1.213 114.538 115.700 0.085 0.000 2.571 126 S HA 0.606 5.075 4.470 -0.000 0.000 0.284 126 S C -0.764 173.916 174.600 0.134 0.000 1.128 126 S CA -0.136 58.122 58.200 0.095 0.000 0.970 126 S CB 1.448 64.694 63.200 0.076 0.000 1.039 126 S HN 1.291 nan 8.310 nan 0.000 0.485 127 V N -0.431 119.582 119.914 0.164 0.000 2.823 127 V HA 1.021 5.141 4.120 -0.000 0.000 0.312 127 V C 0.142 176.370 176.094 0.224 0.000 1.072 127 V CA -0.496 61.954 62.300 0.250 0.000 0.937 127 V CB 1.333 33.350 31.823 0.323 0.000 1.013 127 V HN 1.252 nan 8.190 nan 0.000 0.430 128 G N 3.595 112.555 108.800 0.266 0.000 2.470 128 G HA2 0.692 4.652 3.960 -0.000 0.000 0.320 128 G HA3 0.692 4.652 3.960 -0.000 0.000 0.320 128 G C -1.077 174.001 174.900 0.296 0.000 1.245 128 G CA -0.878 44.357 45.100 0.225 0.000 0.935 128 G HN 0.868 nan 8.290 nan 0.000 0.476 129 L N 1.608 122.980 121.223 0.249 0.000 2.329 129 L HA 0.468 4.808 4.340 -0.000 0.000 0.279 129 L C -1.034 175.982 176.870 0.244 0.000 1.014 129 L CA -1.176 53.817 54.840 0.255 0.000 0.814 129 L CB 2.082 44.238 42.059 0.162 0.000 1.257 129 L HN 0.558 nan 8.230 nan 0.000 0.424 130 Y N 4.290 124.674 120.300 0.141 0.000 2.352 130 Y HA 0.600 5.150 4.550 -0.000 0.000 0.339 130 Y C -0.801 175.165 175.900 0.111 0.000 0.992 130 Y CA -0.866 57.300 58.100 0.110 0.000 1.100 130 Y CB 1.234 39.742 38.460 0.080 0.000 1.192 130 Y HN 0.304 nan 8.280 nan 0.000 0.458 131 I N 8.672 128.794 120.570 -0.746 0.000 2.439 131 I HA 0.332 4.502 4.170 -0.000 0.000 0.285 131 I C -2.564 173.168 176.117 -0.643 0.000 1.021 131 I CA -2.690 58.339 61.300 -0.452 0.000 1.091 131 I CB 1.540 39.434 38.000 -0.177 0.000 1.242 131 I HN 0.527 nan 8.210 nan 0.000 0.439 132 P HA 0.146 nan 4.420 nan 0.000 0.268 132 P C 0.461 177.743 177.300 -0.029 0.000 1.208 132 P CA 0.167 63.234 63.100 -0.054 0.000 0.777 132 P CB 0.939 32.709 31.700 0.117 0.000 0.875 133 G N 0.434 109.255 108.800 0.035 0.000 2.773 133 G HA2 0.657 4.617 3.960 -0.000 0.000 0.186 133 G HA3 0.657 4.617 3.960 -0.000 0.000 0.186 133 G C 0.007 174.948 174.900 0.069 0.000 1.411 133 G CA -0.379 44.750 45.100 0.048 0.000 1.054 133 G HN 0.833 nan 8.290 nan 0.000 0.579 134 G N -2.212 106.630 108.800 0.070 0.000 2.541 134 G HA2 0.246 4.206 3.960 -0.000 0.000 0.686 134 G HA3 0.246 4.206 3.960 -0.000 0.000 0.686 134 G C 0.954 175.894 174.900 0.067 0.000 1.286 134 G CA 0.683 45.824 45.100 0.068 0.000 0.894 134 G HN 1.643 nan 8.290 nan 0.000 0.575 135 S N -0.925 114.812 115.700 0.061 0.000 2.402 135 S HA 0.357 4.827 4.470 -0.000 0.000 0.229 135 S C 1.483 176.127 174.600 0.073 0.000 1.021 135 S CA 1.914 60.149 58.200 0.058 0.000 0.974 135 S CB 0.226 63.455 63.200 0.048 0.000 0.800 135 S HN 2.316 nan 8.310 nan 0.000 0.484 136 A N 3.005 125.874 122.820 0.082 0.000 3.204 136 A HA 0.566 4.886 4.320 -0.000 0.000 0.327 136 A C -2.340 175.316 177.584 0.119 0.000 0.998 136 A CA -1.494 50.606 52.037 0.105 0.000 0.891 136 A CB 0.174 19.225 19.000 0.085 0.000 1.061 136 A HN 0.432 nan 8.150 nan 0.000 0.478 137 P HA 0.204 nan 4.420 nan 0.000 0.274 137 P C -0.308 177.079 177.300 0.144 0.000 1.231 137 P CA -0.170 63.010 63.100 0.134 0.000 0.790 137 P CB 0.977 32.760 31.700 0.137 0.000 0.951 138 L N 3.717 124.983 121.223 0.071 0.000 2.391 138 L HA 0.120 4.460 4.340 -0.000 0.000 0.249 138 L C 1.565 178.416 176.870 -0.033 0.000 1.308 138 L CA -0.431 54.393 54.840 -0.027 0.000 1.209 138 L CB -1.060 41.001 42.059 0.004 0.000 1.401 138 L HN 0.402 nan 8.230 nan 0.000 0.416 139 F N -0.083 119.944 119.950 0.129 0.000 2.373 139 F HA -0.166 4.361 4.527 -0.000 0.000 0.300 139 F C 2.336 178.220 175.800 0.139 0.000 1.080 139 F CA 0.800 58.867 58.000 0.111 0.000 1.417 139 F CB -0.925 38.135 39.000 0.100 0.000 1.070 139 F HN 0.437 nan 8.300 nan 0.000 0.546 140 S N -0.554 114.945 115.700 -0.334 0.000 2.419 140 S HA -0.198 4.272 4.470 -0.000 0.000 0.233 140 S C 1.754 176.403 174.600 0.081 0.000 1.016 140 S CA 1.418 59.612 58.200 -0.010 0.000 0.974 140 S CB -1.516 61.715 63.200 0.052 0.000 0.786 140 S HN 0.499 nan 8.310 nan 0.000 0.492 141 T N 2.211 116.848 114.554 0.138 0.000 2.881 141 T HA -0.015 4.335 4.350 -0.000 0.000 0.270 141 T C 1.783 176.506 174.700 0.038 0.000 1.068 141 T CA 1.197 63.370 62.100 0.122 0.000 1.131 141 T CB -0.545 68.450 68.868 0.211 0.000 0.871 141 T HN 0.325 nan 8.240 nan 0.000 0.479 142 V N 1.332 121.290 119.914 0.074 0.000 2.343 142 V HA -0.060 4.060 4.120 -0.000 0.000 0.247 142 V C 1.588 177.678 176.094 -0.008 0.000 1.051 142 V CA 1.186 63.515 62.300 0.048 0.000 1.036 142 V CB -0.680 31.198 31.823 0.092 0.000 0.654 142 V HN 0.425 nan 8.190 nan 0.000 0.451 146 A N 0.131 122.812 122.820 -0.232 0.000 1.970 146 A HA -0.037 4.283 4.320 -0.000 0.000 0.216 146 A C 2.046 179.429 177.584 -0.334 0.000 1.170 146 A CA 2.202 54.089 52.037 -0.249 0.000 0.645 146 A CB -0.519 18.396 19.000 -0.142 0.000 0.816 146 A HN 0.365 nan 8.150 nan 0.000 0.447 147 T N 0.938 115.288 114.554 -0.340 0.000 2.674 147 T HA -0.074 4.276 4.350 -0.000 0.000 0.265 147 T C -0.267 174.152 174.700 -0.468 0.000 1.039 147 T CA 1.705 63.599 62.100 -0.343 0.000 1.150 147 T CB -1.029 67.665 68.868 -0.291 0.000 0.864 147 T HN 0.461 nan 8.240 nan 0.000 0.427 148 P HA 0.069 nan 4.420 nan 0.000 0.219 148 P C 1.409 178.142 177.300 -0.944 0.000 1.150 148 P CA 1.105 63.749 63.100 -0.759 0.000 0.814 148 P CB -0.185 31.032 31.700 -0.805 0.000 0.787 149 A N 0.348 122.414 122.820 -1.257 0.000 1.908 149 A HA -0.195 4.125 4.320 -0.000 0.000 0.218 149 A C 2.655 180.032 177.584 -0.346 0.000 1.181 149 A CA 2.350 53.913 52.037 -0.790 0.000 0.627 149 A CB -1.614 17.086 19.000 -0.499 0.000 0.818 149 A HN 0.285 nan 8.150 nan 0.000 0.445 150 S N -0.399 115.113 115.700 -0.314 0.000 2.355 150 S HA -0.120 4.350 4.470 -0.000 0.000 0.222 150 S C 1.913 176.422 174.600 -0.153 0.000 1.031 150 S CA 1.446 59.534 58.200 -0.186 0.000 0.993 150 S CB -0.530 62.567 63.200 -0.171 0.000 0.859 150 S HN 0.469 nan 8.310 nan 0.000 0.453 151 I N 1.875 122.336 120.570 -0.182 0.000 2.286 151 I HA -0.146 4.024 4.170 -0.000 0.000 0.248 151 I C 2.761 178.827 176.117 -0.086 0.000 1.115 151 I CA 1.153 62.382 61.300 -0.119 0.000 1.392 151 I CB -0.466 37.468 38.000 -0.110 0.000 1.065 151 I HN 0.389 nan 8.210 nan 0.000 0.418 152 A N 0.355 123.114 122.820 -0.101 0.000 2.070 152 A HA 0.058 4.378 4.320 -0.000 0.000 0.220 152 A C 1.966 179.545 177.584 -0.008 0.000 1.159 152 A CA 1.265 53.289 52.037 -0.022 0.000 0.656 152 A CB -0.867 18.160 19.000 0.046 0.000 0.800 152 A HN 0.644 nan 8.150 nan 0.000 0.453 153 G N -2.299 106.482 108.800 -0.031 0.000 2.142 153 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.225 153 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.225 153 G C 0.106 175.010 174.900 0.006 0.000 1.015 153 G CA -0.172 44.919 45.100 -0.014 0.000 0.716 153 G HN 0.673 nan 8.290 nan 0.000 0.508 154 C N 1.020 120.328 119.300 0.013 0.000 2.634 154 C HA 0.284 4.744 4.460 -0.000 0.000 0.418 154 C C 2.001 177.007 174.990 0.026 0.000 1.373 154 C CA -0.100 58.945 59.018 0.044 0.000 1.756 154 C CB 0.903 28.687 27.740 0.073 0.000 2.589 154 C HN 0.474 nan 8.230 nan 0.000 0.602 155 K N 1.668 122.089 120.400 0.035 0.000 2.103 155 K HA -0.018 4.302 4.320 -0.000 0.000 0.204 155 K C 0.677 177.294 176.600 0.030 0.000 1.052 155 K CA 1.142 57.445 56.287 0.026 0.000 0.945 155 K CB -0.022 32.495 32.500 0.028 0.000 0.722 155 K HN 0.693 nan 8.250 nan 0.000 0.443 156 K N 0.584 121.011 120.400 0.046 0.000 2.397 156 K HA 0.334 4.654 4.320 -0.000 0.000 0.253 156 K C -1.489 175.150 176.600 0.065 0.000 0.932 156 K CA -0.416 55.904 56.287 0.054 0.000 0.795 156 K CB 1.855 34.396 32.500 0.068 0.000 1.159 156 K HN -0.301 nan 8.250 nan 0.000 0.424 157 V N 5.140 125.087 119.914 0.054 0.000 2.482 157 V HA 0.400 4.520 4.120 -0.000 0.000 0.295 157 V C -0.495 175.645 176.094 0.076 0.000 1.026 157 V CA -0.795 61.539 62.300 0.056 0.000 0.856 157 V CB 1.350 33.174 31.823 0.002 0.000 1.001 157 V HN 0.642 nan 8.190 nan 0.000 0.424 158 V N 3.369 123.360 119.914 0.127 0.000 3.074 158 V HA 0.865 4.985 4.120 -0.000 0.000 0.314 158 V C -1.045 175.160 176.094 0.184 0.000 1.117 158 V CA -0.990 61.418 62.300 0.180 0.000 1.014 158 V CB 2.293 34.318 31.823 0.337 0.000 1.057 158 V HN 0.751 nan 8.190 nan 0.000 0.438 159 L N 1.653 122.993 121.223 0.195 0.000 2.431 159 L HA 0.837 5.177 4.340 -0.000 0.000 0.266 159 L C -1.216 175.787 176.870 0.223 0.000 0.978 159 L CA -0.049 54.890 54.840 0.164 0.000 0.822 159 L CB 1.872 43.972 42.059 0.068 0.000 1.310 159 L HN 0.983 nan 8.230 nan 0.000 0.409 160 C N 2.322 121.745 119.300 0.204 0.000 2.455 160 C HA 0.856 5.316 4.460 -0.000 0.000 0.320 160 C C -0.067 174.944 174.990 0.033 0.000 1.226 160 C CA -0.400 58.751 59.018 0.221 0.000 1.569 160 C CB 1.404 29.331 27.740 0.313 0.000 2.200 160 C HN 0.789 nan 8.230 nan 0.000 0.491 161 S N 2.514 118.233 115.700 0.032 0.000 2.537 161 S HA 0.652 5.122 4.470 -0.000 0.000 0.270 161 S C -3.064 171.563 174.600 0.046 0.000 1.142 161 S CA -0.765 57.381 58.200 -0.090 0.000 0.870 161 S CB 1.800 64.949 63.200 -0.085 0.000 1.112 161 S HN 0.491 nan 8.310 nan 0.000 0.466 162 P HA 0.238 nan 4.420 nan 0.000 0.267 162 P C -2.566 174.789 177.300 0.091 0.000 1.205 162 P CA -0.877 62.295 63.100 0.120 0.000 0.765 162 P CB -0.211 31.576 31.700 0.146 0.000 0.828 163 P HA 0.229 nan 4.420 nan 0.000 0.277 163 P C -2.376 174.969 177.300 0.075 0.000 1.240 163 P CA -1.707 61.439 63.100 0.077 0.000 0.798 163 P CB -0.438 31.308 31.700 0.076 0.000 0.979 164 P HA 0.364 nan 4.420 nan 0.000 0.285 164 P C -0.206 177.121 177.300 0.045 0.000 1.259 164 P CA -0.291 62.838 63.100 0.048 0.000 0.794 164 P CB 0.849 32.573 31.700 0.041 0.000 0.940 165 I N 2.235 122.829 120.570 0.039 0.000 2.452 165 I HA 0.182 4.352 4.170 -0.000 0.000 0.287 165 I C 1.226 177.361 176.117 0.030 0.000 1.079 165 I CA -0.563 60.758 61.300 0.034 0.000 1.387 165 I CB 0.700 38.714 38.000 0.025 0.000 1.404 165 I HN 0.423 nan 8.210 nan 0.000 0.522 166 A N 5.223 128.066 122.820 0.039 0.000 2.555 166 A HA -0.037 4.283 4.320 -0.000 0.000 0.233 166 A C 1.109 178.703 177.584 0.017 0.000 1.060 166 A CA -0.165 51.893 52.037 0.034 0.000 0.759 166 A CB 0.083 19.119 19.000 0.059 0.000 0.995 166 A HN 0.802 nan 8.150 nan 0.000 0.506 167 D N 1.319 121.717 120.400 -0.003 0.000 2.158 167 D HA -0.153 4.487 4.640 -0.000 0.000 0.197 167 D C 1.650 177.930 176.300 -0.033 0.000 0.995 167 D CA 2.059 56.048 54.000 -0.018 0.000 0.846 167 D CB -0.141 40.633 40.800 -0.043 0.000 0.941 167 D HN 0.756 nan 8.370 nan 0.000 0.456 168 E N 0.293 120.436 120.200 -0.095 0.000 2.085 168 E HA -0.104 4.246 4.350 -0.000 0.000 0.194 168 E C 2.292 178.838 176.600 -0.091 0.000 0.994 168 E CA 0.466 56.714 56.400 -0.254 0.000 0.801 168 E CB -0.202 29.188 29.700 -0.517 0.000 0.743 168 E HN 0.359 nan 8.360 nan 0.000 0.453 169 I N 0.258 120.852 120.570 0.039 0.000 2.252 169 I HA -0.253 3.917 4.170 -0.000 0.000 0.245 169 I C 2.067 178.208 176.117 0.040 0.000 1.102 169 I CA 0.899 62.252 61.300 0.089 0.000 1.385 169 I CB -0.202 37.847 38.000 0.082 0.000 1.064 169 I HN 0.100 nan 8.210 nan 0.000 0.414 170 L N -0.664 120.574 121.223 0.025 0.000 2.046 170 L HA -0.256 4.084 4.340 -0.000 0.000 0.208 170 L C 2.660 179.539 176.870 0.015 0.000 1.077 170 L CA 1.601 56.447 54.840 0.009 0.000 0.747 170 L CB -0.771 41.295 42.059 0.011 0.000 0.896 170 L HN 0.265 nan 8.230 nan 0.000 0.432 171 Y N 0.601 120.855 120.300 -0.077 0.000 2.200 171 Y HA -0.216 4.334 4.550 -0.000 0.000 0.290 171 Y C 2.553 178.415 175.900 -0.063 0.000 1.137 171 Y CA 1.307 59.357 58.100 -0.082 0.000 1.163 171 Y CB -0.075 38.314 38.460 -0.118 0.000 0.988 171 Y HN 0.095 nan 8.280 nan 0.000 0.518 172 A N 0.563 123.362 122.820 -0.035 0.000 1.902 172 A HA -0.176 4.144 4.320 -0.000 0.000 0.217 172 A C 2.378 179.898 177.584 -0.106 0.000 1.181 172 A CA 1.861 53.871 52.037 -0.045 0.000 0.623 172 A CB -1.488 17.588 19.000 0.127 0.000 0.818 172 A HN 0.608 nan 8.150 nan 0.000 0.443 173 A N -0.698 122.075 122.820 -0.078 0.000 1.865 173 A HA -0.263 4.057 4.320 -0.000 0.000 0.217 173 A C 2.255 179.756 177.584 -0.138 0.000 1.191 173 A CA 1.938 53.925 52.037 -0.085 0.000 0.623 173 A CB -0.746 18.218 19.000 -0.061 0.000 0.826 173 A HN 0.656 nan 8.150 nan 0.000 0.444 174 Q N -0.811 118.880 119.800 -0.181 0.000 2.061 174 Q HA -0.225 4.115 4.340 -0.000 0.000 0.204 174 Q C 2.043 177.888 176.000 -0.258 0.000 0.984 174 Q CA 1.995 57.674 55.803 -0.207 0.000 0.846 174 Q CB -0.325 28.279 28.738 -0.223 0.000 0.902 174 Q HN 0.502 nan 8.270 nan 0.000 0.421 175 L N 0.587 121.570 121.223 -0.400 0.000 2.081 175 L HA -0.177 4.163 4.340 -0.000 0.000 0.212 175 L C 1.924 178.677 176.870 -0.196 0.000 1.080 175 L CA 1.742 56.368 54.840 -0.357 0.000 0.754 175 L CB -0.560 41.240 42.059 -0.432 0.000 0.893 175 L HN 0.393 nan 8.230 nan 0.000 0.433 176 C N 0.381 119.582 119.300 -0.164 0.000 2.625 176 C HA 0.540 5.000 4.460 -0.000 0.000 0.285 176 C C 1.655 176.573 174.990 -0.120 0.000 1.279 176 C CA -0.007 58.933 59.018 -0.130 0.000 1.698 176 C CB -1.625 26.041 27.740 -0.123 0.000 1.821 176 C HN 0.846 nan 8.230 nan 0.000 0.600 177 G N 0.939 109.669 108.800 -0.116 0.000 2.143 177 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.248 177 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.248 177 G C 0.103 174.955 174.900 -0.081 0.000 0.991 177 G CA 0.284 45.328 45.100 -0.094 0.000 0.689 177 G HN 0.419 nan 8.290 nan 0.000 0.522 178 V N 0.597 120.461 119.914 -0.083 0.000 2.529 178 V HA 0.106 4.226 4.120 -0.000 0.000 0.292 178 V C 1.685 177.743 176.094 -0.059 0.000 1.028 178 V CA 1.216 63.479 62.300 -0.061 0.000 1.074 178 V CB 1.349 33.138 31.823 -0.057 0.000 0.958 178 V HN 0.577 nan 8.190 nan 0.000 0.481 179 Q N 2.082 121.860 119.800 -0.037 0.000 2.083 179 Q HA 0.023 4.363 4.340 -0.000 0.000 0.198 179 Q C 0.001 175.956 176.000 -0.075 0.000 0.969 179 Q CA 1.104 56.884 55.803 -0.039 0.000 0.838 179 Q CB 0.276 29.012 28.738 -0.003 0.000 0.900 179 Q HN 0.766 nan 8.270 nan 0.000 0.436 180 D N -0.606 119.737 120.400 -0.096 0.000 2.819 180 D HA 0.354 4.994 4.640 -0.000 0.000 0.232 180 D C -1.339 174.731 176.300 -0.384 0.000 1.160 180 D CA -0.325 53.500 54.000 -0.292 0.000 0.858 180 D CB 2.847 43.483 40.800 -0.273 0.000 1.610 180 D HN -0.193 nan 8.370 nan 0.000 0.481 181 V N 2.140 121.725 119.914 -0.548 0.000 2.540 181 V HA 0.504 4.624 4.120 -0.000 0.000 0.302 181 V C -0.794 174.974 176.094 -0.544 0.000 1.035 181 V CA -0.686 61.400 62.300 -0.357 0.000 0.873 181 V CB 1.301 33.020 31.823 -0.173 0.000 0.992 181 V HN 0.374 nan 8.190 nan 0.000 0.428 182 F N 2.139 122.110 119.950 0.035 0.000 2.495 182 F HA 0.478 5.005 4.527 -0.000 0.000 0.327 182 F C 0.859 176.688 175.800 0.047 0.000 1.103 182 F CA -0.865 57.160 58.000 0.042 0.000 0.949 182 F CB 1.575 40.606 39.000 0.052 0.000 1.142 182 F HN 0.361 nan 8.300 nan 0.000 0.457 183 N N 2.690 121.524 118.700 0.224 0.000 2.971 183 N HA 0.167 4.907 4.740 -0.000 0.000 0.294 183 N C -1.017 174.588 175.510 0.159 0.000 1.210 183 N CA 0.222 53.362 53.050 0.151 0.000 1.157 183 N CB 0.865 39.418 38.487 0.109 0.000 1.450 183 N HN 0.385 nan 8.380 nan 0.000 0.527 184 V N -0.662 119.359 119.914 0.178 0.000 3.048 184 V HA 0.856 4.976 4.120 -0.000 0.000 0.303 184 V C -0.390 175.835 176.094 0.218 0.000 1.214 184 V CA -0.552 61.845 62.300 0.163 0.000 0.984 184 V CB 1.989 33.895 31.823 0.137 0.000 1.054 184 V HN 0.440 nan 8.190 nan 0.000 0.430 185 G N 2.192 111.121 108.800 0.214 0.000 2.949 185 G HA2 0.808 4.768 3.960 -0.000 0.000 0.285 185 G HA3 0.808 4.768 3.960 -0.000 0.000 0.285 185 G C 0.305 175.322 174.900 0.194 0.000 1.395 185 G CA -0.061 45.248 45.100 0.347 0.000 0.901 185 G HN 2.129 nan 8.290 nan 0.000 0.519 186 G N -0.639 108.260 108.800 0.165 0.000 2.598 186 G HA2 0.178 4.138 3.960 -0.000 0.000 0.269 186 G HA3 0.178 4.138 3.960 -0.000 0.000 0.269 186 G C 1.517 176.303 174.900 -0.190 0.000 1.289 186 G CA 1.326 46.397 45.100 -0.049 0.000 0.926 186 G HN 1.974 nan 8.290 nan 0.000 0.567 187 A N -1.620 121.122 122.820 -0.131 0.000 2.024 187 A HA -0.041 4.279 4.320 -0.000 0.000 0.220 187 A C 2.374 179.865 177.584 -0.155 0.000 1.164 187 A CA 2.634 54.591 52.037 -0.133 0.000 0.643 187 A CB -0.466 18.500 19.000 -0.058 0.000 0.806 187 A HN 0.855 nan 8.150 nan 0.000 0.451 188 Q N -0.107 119.583 119.800 -0.183 0.000 2.119 188 Q HA 0.111 4.451 4.340 -0.000 0.000 0.201 188 Q C 2.206 178.172 176.000 -0.057 0.000 0.972 188 Q CA 1.596 57.315 55.803 -0.140 0.000 0.847 188 Q CB -0.627 28.011 28.738 -0.167 0.000 0.903 188 Q HN 0.627 nan 8.270 nan 0.000 0.433 189 A N 0.684 123.480 122.820 -0.040 0.000 1.898 189 A HA -0.118 4.202 4.320 -0.000 0.000 0.216 189 A C 1.911 179.465 177.584 -0.049 0.000 1.181 189 A CA 1.033 53.085 52.037 0.025 0.000 0.620 189 A CB -0.424 18.700 19.000 0.207 0.000 0.819 189 A HN 0.261 nan 8.150 nan 0.000 0.442 190 I N 0.233 120.709 120.570 -0.156 0.000 2.226 190 I HA -0.241 3.929 4.170 -0.000 0.000 0.245 190 I C 2.890 178.863 176.117 -0.239 0.000 1.100 190 I CA 1.437 62.619 61.300 -0.197 0.000 1.374 190 I CB -1.657 36.197 38.000 -0.245 0.000 1.057 190 I HN 0.359 nan 8.210 nan 0.000 0.413 191 A N 0.837 123.532 122.820 -0.208 0.000 1.898 191 A HA -0.073 4.247 4.320 -0.000 0.000 0.216 191 A C 2.584 180.064 177.584 -0.173 0.000 1.181 191 A CA 1.882 53.763 52.037 -0.260 0.000 0.620 191 A CB -0.801 18.233 19.000 0.056 0.000 0.819 191 A HN 0.399 nan 8.150 nan 0.000 0.442 192 A N -0.277 122.508 122.820 -0.058 0.000 1.902 192 A HA -0.055 4.265 4.320 -0.000 0.000 0.217 192 A C 2.174 179.702 177.584 -0.093 0.000 1.181 192 A CA 1.553 53.568 52.037 -0.036 0.000 0.623 192 A CB -0.579 18.386 19.000 -0.059 0.000 0.818 192 A HN 0.475 nan 8.150 nan 0.000 0.443 193 L N -1.099 120.052 121.223 -0.120 0.000 2.072 193 L HA -0.124 4.216 4.340 -0.000 0.000 0.205 193 L C 3.039 179.820 176.870 -0.149 0.000 1.079 193 L CA 0.978 55.757 54.840 -0.102 0.000 0.752 193 L CB -0.452 41.579 42.059 -0.047 0.000 0.906 193 L HN 0.427 nan 8.230 nan 0.000 0.436 194 A N -0.508 122.123 122.820 -0.316 0.000 1.968 194 A HA -0.106 4.214 4.320 -0.000 0.000 0.217 194 A C 1.786 179.192 177.584 -0.296 0.000 1.169 194 A CA 1.320 53.104 52.037 -0.421 0.000 0.638 194 A CB -0.358 18.195 19.000 -0.745 0.000 0.812 194 A HN 0.352 nan 8.150 nan 0.000 0.446 195 F N -0.968 118.965 119.950 -0.029 0.000 2.622 195 F HA 0.444 4.971 4.527 -0.000 0.000 0.288 195 F C 1.428 177.209 175.800 -0.031 0.000 1.120 195 F CA 0.046 58.031 58.000 -0.026 0.000 1.423 195 F CB -0.658 38.329 39.000 -0.023 0.000 1.127 195 F HN 0.381 nan 8.300 nan 0.000 0.588 196 G N 0.713 109.583 108.800 0.117 0.000 2.705 196 G HA2 0.182 4.142 3.960 -0.000 0.000 0.686 196 G HA3 0.182 4.142 3.960 -0.000 0.000 0.686 196 G C -0.320 174.602 174.900 0.037 0.000 1.285 196 G CA -0.516 44.605 45.100 0.034 0.000 0.800 196 G HN 0.524 nan 8.290 nan 0.000 0.611 197 T N -1.865 112.675 114.554 -0.024 0.000 2.669 197 T HA 0.735 5.085 4.350 -0.000 0.000 0.283 197 T C 0.990 175.674 174.700 -0.026 0.000 1.019 197 T CA 0.431 62.522 62.100 -0.016 0.000 1.039 197 T CB 1.613 70.462 68.868 -0.031 0.000 1.374 197 T HN 0.536 nan 8.240 nan 0.000 0.523 198 E N 0.470 120.662 120.200 -0.014 0.000 2.153 198 E HA 0.012 4.362 4.350 -0.000 0.000 0.194 198 E C 2.059 178.660 176.600 0.000 0.000 0.988 198 E CA 1.550 57.949 56.400 -0.002 0.000 0.811 198 E CB -0.147 29.557 29.700 0.006 0.000 0.746 198 E HN 0.525 nan 8.360 nan 0.000 0.466 199 S N -0.550 115.137 115.700 -0.021 0.000 2.468 199 S HA 0.104 4.574 4.470 -0.000 0.000 0.226 199 S C 0.598 175.098 174.600 -0.167 0.000 1.051 199 S CA -0.122 58.078 58.200 -0.000 0.000 0.943 199 S CB 0.668 63.900 63.200 0.054 0.000 0.810 199 S HN -0.054 nan 8.310 nan 0.000 0.509 200 V N 5.367 125.068 119.914 -0.355 0.000 2.407 200 V HA 0.323 4.443 4.120 -0.000 0.000 0.278 200 V C -2.319 173.606 176.094 -0.281 0.000 1.037 200 V CA -2.186 59.725 62.300 -0.649 0.000 0.900 200 V CB 0.988 32.428 31.823 -0.638 0.000 0.983 200 V HN 0.197 nan 8.190 nan 0.000 0.459 201 P HA 0.144 nan 4.420 nan 0.000 0.275 201 P C -0.699 176.580 177.300 -0.035 0.000 1.228 201 P CA -0.544 62.529 63.100 -0.044 0.000 0.786 201 P CB 0.976 32.698 31.700 0.037 0.000 0.927 202 K N 2.494 122.894 120.400 -0.001 0.000 2.339 202 K HA 0.269 4.589 4.320 -0.000 0.000 0.286 202 K C -0.030 176.581 176.600 0.017 0.000 1.050 202 K CA -0.531 55.762 56.287 0.010 0.000 0.956 202 K CB 0.224 32.747 32.500 0.038 0.000 0.990 202 K HN 0.346 nan 8.250 nan 0.000 0.475 203 V N 0.834 120.754 119.914 0.009 0.000 2.975 203 V HA 0.301 4.421 4.120 -0.000 0.000 0.318 203 V C 0.385 176.490 176.094 0.018 0.000 1.077 203 V CA -0.557 61.763 62.300 0.033 0.000 1.000 203 V CB 1.807 33.668 31.823 0.063 0.000 1.066 203 V HN 0.804 nan 8.190 nan 0.000 0.452 204 D N 0.613 121.035 120.400 0.036 0.000 2.213 204 D HA 0.093 4.733 4.640 -0.000 0.000 0.205 204 D C 0.498 176.790 176.300 -0.014 0.000 0.961 204 D CA 1.320 55.329 54.000 0.016 0.000 0.853 204 D CB 0.513 41.333 40.800 0.033 0.000 0.967 204 D HN 0.683 nan 8.370 nan 0.000 0.496 205 K N 0.213 120.620 120.400 0.013 0.000 2.523 205 K HA 0.447 4.766 4.320 -0.000 0.000 0.257 205 K C -1.695 174.873 176.600 -0.054 0.000 0.932 205 K CA -0.517 55.719 56.287 -0.086 0.000 0.812 205 K CB 1.947 34.379 32.500 -0.112 0.000 1.326 205 K HN -0.221 nan 8.250 nan 0.000 0.433 206 I N 4.198 124.624 120.570 -0.240 0.000 2.404 206 I HA 0.424 4.593 4.170 -0.000 0.000 0.293 206 I C -1.011 174.906 176.117 -0.334 0.000 0.992 206 I CA -0.796 60.431 61.300 -0.122 0.000 1.149 206 I CB 1.027 38.964 38.000 -0.105 0.000 1.315 206 I HN 0.438 nan 8.210 nan 0.000 0.446 207 F N 2.981 122.940 119.950 0.015 0.000 2.561 207 F HA 0.845 5.372 4.527 -0.000 0.000 0.321 207 F C 0.571 176.429 175.800 0.096 0.000 1.065 207 F CA -0.874 57.143 58.000 0.027 0.000 0.934 207 F CB 2.232 41.268 39.000 0.059 0.000 1.215 207 F HN 0.557 nan 8.300 nan 0.000 0.471 208 G N 2.613 111.571 108.800 0.263 0.000 3.014 208 G HA2 0.149 4.109 3.960 -0.000 0.000 0.683 208 G HA3 0.149 4.109 3.960 -0.000 0.000 0.683 208 G C -3.363 171.659 174.900 0.204 0.000 1.271 208 G CA -1.370 43.879 45.100 0.248 0.000 0.843 208 G HN 0.436 nan 8.290 nan 0.000 0.612 209 P HA 0.737 nan 4.420 nan 0.000 0.278 209 P C 0.590 178.014 177.300 0.207 0.000 1.266 209 P CA 0.435 63.616 63.100 0.136 0.000 0.807 209 P CB 2.076 33.827 31.700 0.085 0.000 1.094 210 G N 0.134 109.014 108.800 0.134 0.000 2.561 210 G HA2 0.369 4.329 3.960 -0.000 0.000 0.310 210 G HA3 0.369 4.329 3.960 -0.000 0.000 0.310 210 G C -0.853 174.098 174.900 0.085 0.000 1.292 210 G CA -0.748 44.457 45.100 0.175 0.000 0.811 210 G HN 0.710 nan 8.290 nan 0.000 0.482 211 N N -0.490 118.269 118.700 0.099 0.000 2.290 211 N HA 0.456 5.196 4.740 -0.000 0.000 0.269 211 N C 1.716 177.222 175.510 -0.006 0.000 1.295 211 N CA 0.604 53.691 53.050 0.061 0.000 0.932 211 N CB 0.221 38.784 38.487 0.125 0.000 1.128 211 N HN 0.886 nan 8.380 nan 0.000 0.532 212 A N -0.853 121.915 122.820 -0.087 0.000 1.948 212 A HA -0.102 4.218 4.320 -0.000 0.000 0.220 212 A C 1.913 179.334 177.584 -0.272 0.000 1.177 212 A CA 1.252 53.148 52.037 -0.236 0.000 0.636 212 A CB -1.199 17.564 19.000 -0.396 0.000 0.815 212 A HN 0.608 nan 8.150 nan 0.000 0.449 213 F N -0.705 119.216 119.950 -0.049 0.000 2.128 213 F HA -0.088 4.439 4.527 -0.000 0.000 0.295 213 F C 2.435 178.171 175.800 -0.107 0.000 1.100 213 F CA 1.262 59.224 58.000 -0.064 0.000 1.260 213 F CB -0.542 38.427 39.000 -0.051 0.000 1.009 213 F HN 0.014 nan 8.300 nan 0.000 0.476 214 V N -0.287 119.656 119.914 0.049 0.000 2.295 214 V HA -0.305 3.815 4.120 -0.000 0.000 0.246 214 V C 2.285 178.310 176.094 -0.114 0.000 1.049 214 V CA 2.484 64.703 62.300 -0.135 0.000 1.024 214 V CB -1.043 30.642 31.823 -0.230 0.000 0.648 214 V HN 0.390 nan 8.190 nan 0.000 0.447 215 T N -0.430 114.077 114.554 -0.079 0.000 2.720 215 T HA -0.242 4.108 4.350 -0.000 0.000 0.268 215 T C 1.925 176.575 174.700 -0.084 0.000 1.037 215 T CA 1.893 63.944 62.100 -0.082 0.000 1.144 215 T CB -0.238 68.583 68.868 -0.079 0.000 0.864 215 T HN 0.542 nan 8.240 nan 0.000 0.444 216 E N 1.463 121.614 120.200 -0.082 0.000 2.106 216 E HA 0.018 4.368 4.350 -0.000 0.000 0.192 216 E C 2.176 178.746 176.600 -0.050 0.000 0.984 216 E CA 1.253 57.613 56.400 -0.066 0.000 0.806 216 E CB -0.555 29.101 29.700 -0.074 0.000 0.750 216 E HN 0.426 nan 8.360 nan 0.000 0.458 217 A N 0.894 123.683 122.820 -0.051 0.000 1.877 217 A HA -0.196 4.124 4.320 -0.000 0.000 0.216 217 A C 2.104 179.624 177.584 -0.107 0.000 1.186 217 A CA 1.828 53.824 52.037 -0.069 0.000 0.620 217 A CB -0.462 18.481 19.000 -0.096 0.000 0.822 217 A HN 0.222 nan 8.150 nan 0.000 0.443 218 K N -0.804 119.521 120.400 -0.125 0.000 2.057 218 K HA -0.169 4.151 4.320 -0.000 0.000 0.207 218 K C 2.382 178.913 176.600 -0.115 0.000 1.049 218 K CA 1.494 57.699 56.287 -0.137 0.000 0.931 218 K CB -0.196 32.223 32.500 -0.135 0.000 0.714 218 K HN 0.482 nan 8.250 nan 0.000 0.440 219 R N 1.466 121.912 120.500 -0.090 0.000 2.080 219 R HA -0.215 4.125 4.340 -0.000 0.000 0.236 219 R C 2.243 178.508 176.300 -0.057 0.000 1.137 219 R CA 1.910 57.968 56.100 -0.071 0.000 0.943 219 R CB -0.097 30.172 30.300 -0.051 0.000 0.846 219 R HN 0.264 nan 8.270 nan 0.000 0.431 220 Q N -0.142 119.632 119.800 -0.044 0.000 2.061 220 Q HA -0.148 4.192 4.340 -0.000 0.000 0.204 220 Q C 2.185 178.174 176.000 -0.019 0.000 0.984 220 Q CA 2.105 57.898 55.803 -0.017 0.000 0.846 220 Q CB -0.127 28.616 28.738 0.008 0.000 0.902 220 Q HN 0.459 nan 8.270 nan 0.000 0.421 221 V N -1.275 118.599 119.914 -0.068 0.000 2.626 221 V HA -0.166 3.954 4.120 -0.000 0.000 0.252 221 V C 2.131 178.176 176.094 -0.081 0.000 1.067 221 V CA 1.805 64.045 62.300 -0.100 0.000 1.081 221 V CB -0.814 30.854 31.823 -0.258 0.000 0.686 221 V HN 0.351 nan 8.190 nan 0.000 0.468 222 S N -0.749 114.898 115.700 -0.088 0.000 2.481 222 S HA -0.087 4.383 4.470 -0.000 0.000 0.231 222 S C 1.831 176.400 174.600 -0.052 0.000 0.996 222 S CA 0.824 58.972 58.200 -0.086 0.000 0.942 222 S CB -0.367 62.770 63.200 -0.106 0.000 0.768 222 S HN 0.632 nan 8.310 nan 0.000 0.520 223 Q N 0.673 120.454 119.800 -0.031 0.000 2.392 223 Q HA 0.291 4.631 4.340 -0.000 0.000 0.203 223 Q C 0.071 176.075 176.000 0.007 0.000 0.917 223 Q CA 0.299 56.094 55.803 -0.013 0.000 0.939 223 Q CB 0.271 29.004 28.738 -0.008 0.000 1.063 223 Q HN 0.632 nan 8.270 nan 0.000 0.516 224 R N 0.427 120.941 120.500 0.023 0.000 2.407 224 R HA 0.193 4.533 4.340 -0.000 0.000 0.303 224 R C 0.977 177.306 176.300 0.047 0.000 0.981 224 R CA -0.477 55.654 56.100 0.051 0.000 0.905 224 R CB 1.085 31.452 30.300 0.112 0.000 1.099 224 R HN -0.066 nan 8.270 nan 0.000 0.459 225 L N 2.570 123.817 121.223 0.039 0.000 2.141 225 L HA -0.123 4.217 4.340 -0.000 0.000 0.209 225 L C 1.246 178.148 176.870 0.054 0.000 1.094 225 L CA 1.927 56.786 54.840 0.032 0.000 0.763 225 L CB -0.409 41.662 42.059 0.020 0.000 0.908 225 L HN 0.749 nan 8.230 nan 0.000 0.437 226 D N -1.716 118.735 120.400 0.085 0.000 2.336 226 D HA 0.076 4.716 4.640 -0.000 0.000 0.229 226 D C 1.173 177.634 176.300 0.267 0.000 1.061 226 D CA 0.598 54.677 54.000 0.131 0.000 0.875 226 D CB -0.433 40.418 40.800 0.086 0.000 0.904 226 D HN 0.306 nan 8.370 nan 0.000 0.525 227 G N -0.206 108.705 108.800 0.184 0.000 2.882 227 G HA2 0.636 4.596 3.960 -0.000 0.000 0.164 227 G HA3 0.636 4.596 3.960 -0.000 0.000 0.164 227 G C -0.669 174.215 174.900 -0.028 0.000 1.429 227 G CA -0.114 45.033 45.100 0.078 0.000 1.059 227 G HN 0.449 nan 8.290 nan 0.000 0.581 228 A N -2.272 120.486 122.820 -0.103 0.000 2.594 228 A HA 0.831 5.151 4.320 -0.000 0.000 0.291 228 A C -0.085 177.427 177.584 -0.120 0.000 1.105 228 A CA 0.116 52.093 52.037 -0.100 0.000 0.694 228 A CB 0.927 19.853 19.000 -0.124 0.000 1.291 228 A HN 1.814 nan 8.150 nan 0.000 0.410 229 A N 0.108 122.853 122.820 -0.125 0.000 2.313 229 A HA 0.720 5.040 4.320 -0.000 0.000 0.261 229 A C 0.194 177.629 177.584 -0.248 0.000 1.090 229 A CA 0.206 52.145 52.037 -0.164 0.000 0.807 229 A CB -0.181 18.726 19.000 -0.156 0.000 1.055 229 A HN 1.776 nan 8.150 nan 0.000 0.492 230 I N -1.912 118.484 120.570 -0.289 0.000 3.042 230 I HA 0.563 4.733 4.170 -0.000 0.000 0.310 230 I C -0.570 175.262 176.117 -0.476 0.000 1.117 230 I CA -1.188 59.884 61.300 -0.379 0.000 1.003 230 I CB 1.985 39.827 38.000 -0.263 0.000 1.228 230 I HN 0.686 nan 8.210 nan 0.000 0.443 234 A N -0.692 122.100 122.820 -0.046 0.000 2.414 234 A HA 1.027 5.347 4.320 -0.000 0.000 0.278 234 A C -0.030 177.599 177.584 0.075 0.000 1.228 234 A CA -0.157 51.892 52.037 0.019 0.000 0.857 234 A CB 1.350 20.332 19.000 -0.030 0.000 1.389 234 A HN 1.390 nan 8.150 nan 0.000 0.452 235 G N -1.599 107.182 108.800 -0.033 0.000 2.321 235 G HA2 0.479 4.439 3.960 -0.000 0.000 0.298 235 G HA3 0.479 4.439 3.960 -0.000 0.000 0.298 235 G C -3.480 171.340 174.900 -0.133 0.000 1.385 235 G CA -0.678 44.275 45.100 -0.246 0.000 0.856 235 G HN 0.593 nan 8.290 nan 0.000 0.584 236 P HA 0.272 nan 4.420 nan 0.000 0.264 236 P C 0.548 177.879 177.300 0.053 0.000 1.193 236 P CA 0.119 63.198 63.100 -0.036 0.000 0.763 236 P CB 0.731 32.424 31.700 -0.012 0.000 0.810 237 S N 2.195 117.924 115.700 0.048 0.000 2.617 237 S HA 0.444 4.914 4.470 -0.000 0.000 0.259 237 S C -0.010 174.676 174.600 0.142 0.000 1.301 237 S CA -0.579 57.671 58.200 0.083 0.000 0.984 237 S CB 0.613 63.834 63.200 0.036 0.000 0.954 237 S HN 0.639 nan 8.310 nan 0.000 0.572 238 E N -1.719 118.602 120.200 0.202 0.000 2.388 238 E HA 0.634 4.984 4.350 -0.000 0.000 0.280 238 E C -2.007 174.769 176.600 0.294 0.000 1.019 238 E CA -1.120 55.422 56.400 0.236 0.000 0.806 238 E CB 1.755 31.623 29.700 0.279 0.000 1.246 238 E HN 0.481 nan 8.360 nan 0.000 0.443 239 V N 2.441 122.475 119.914 0.200 0.000 2.841 239 V HA 0.639 4.759 4.120 -0.000 0.000 0.310 239 V C -1.650 174.508 176.094 0.106 0.000 1.090 239 V CA -0.736 61.654 62.300 0.151 0.000 0.930 239 V CB 1.803 33.631 31.823 0.008 0.000 1.014 239 V HN 0.731 nan 8.190 nan 0.000 0.425 240 L N 6.561 127.847 121.223 0.105 0.000 2.376 240 L HA 0.771 5.111 4.340 -0.000 0.000 0.275 240 L C -1.311 175.574 176.870 0.024 0.000 0.987 240 L CA -0.418 54.448 54.840 0.044 0.000 0.828 240 L CB 1.952 44.054 42.059 0.072 0.000 1.249 240 L HN 0.535 nan 8.230 nan 0.000 0.409 241 V N 6.070 125.975 119.914 -0.015 0.000 2.435 241 V HA 0.448 4.568 4.120 -0.000 0.000 0.290 241 V C 0.091 176.169 176.094 -0.028 0.000 1.030 241 V CA -0.392 61.898 62.300 -0.017 0.000 0.881 241 V CB 1.772 33.576 31.823 -0.033 0.000 0.983 241 V HN 0.572 nan 8.190 nan 0.000 0.445 242 I N 4.193 124.752 120.570 -0.017 0.000 2.330 242 I HA 0.701 4.871 4.170 -0.000 0.000 0.289 242 I C 0.251 176.351 176.117 -0.027 0.000 1.001 242 I CA -0.249 61.033 61.300 -0.031 0.000 1.193 242 I CB 1.514 39.499 38.000 -0.024 0.000 1.345 242 I HN 0.706 nan 8.210 nan 0.000 0.461 243 A N 5.406 128.204 122.820 -0.036 0.000 2.355 243 A HA 0.685 5.005 4.320 -0.000 0.000 0.317 243 A C -0.856 176.706 177.584 -0.036 0.000 1.094 243 A CA -0.672 51.345 52.037 -0.035 0.000 0.764 243 A CB 1.197 20.174 19.000 -0.038 0.000 1.230 243 A HN 0.713 nan 8.150 nan 0.000 0.448 244 D N 0.677 121.058 120.400 -0.032 0.000 2.564 244 D HA 0.307 4.947 4.640 -0.000 0.000 0.273 244 D C 1.361 177.641 176.300 -0.033 0.000 1.192 244 D CA 0.251 54.233 54.000 -0.030 0.000 1.080 244 D CB 0.079 40.865 40.800 -0.023 0.000 1.160 244 D HN 0.440 nan 8.370 nan 0.000 0.607 245 S N -1.827 113.856 115.700 -0.028 0.000 2.442 245 S HA -0.031 4.439 4.470 -0.000 0.000 0.236 245 S C 1.840 176.418 174.600 -0.036 0.000 1.007 245 S CA 0.863 59.045 58.200 -0.030 0.000 0.965 245 S CB -1.064 62.123 63.200 -0.023 0.000 0.773 245 S HN 0.698 nan 8.310 nan 0.000 0.504 246 G N 0.547 109.327 108.800 -0.034 0.000 2.985 246 G HA2 0.537 4.497 3.960 -0.000 0.000 0.209 246 G HA3 0.537 4.497 3.960 -0.000 0.000 0.209 246 G C 0.421 175.285 174.900 -0.060 0.000 1.165 246 G CA 0.112 45.189 45.100 -0.038 0.000 0.776 246 G HN 0.799 nan 8.290 nan 0.000 0.541 247 A N -0.092 122.687 122.820 -0.067 0.000 2.346 247 A HA 0.585 4.905 4.320 -0.000 0.000 0.252 247 A C 0.329 177.822 177.584 -0.152 0.000 1.089 247 A CA 0.112 52.094 52.037 -0.091 0.000 0.797 247 A CB 0.348 19.308 19.000 -0.067 0.000 1.047 247 A HN 0.095 nan 8.150 nan 0.000 0.494 248 T N 3.085 117.494 114.554 -0.242 0.000 2.743 248 T HA 0.385 4.735 4.350 -0.000 0.000 0.292 248 T C -1.884 172.651 174.700 -0.274 0.000 0.972 248 T CA -0.815 61.036 62.100 -0.415 0.000 0.967 248 T CB 1.262 69.490 68.868 -1.067 0.000 0.926 248 T HN 0.426 nan 8.240 nan 0.000 0.459 249 P HA -0.153 nan 4.420 nan 0.000 0.216 249 P C 1.298 178.553 177.300 -0.075 0.000 1.157 249 P CA 1.070 64.106 63.100 -0.106 0.000 0.880 249 P CB 0.230 31.876 31.700 -0.090 0.000 0.791 250 D N -1.966 118.373 120.400 -0.101 0.000 2.178 250 D HA -0.118 4.522 4.640 -0.000 0.000 0.201 250 D C 1.733 178.130 176.300 0.161 0.000 0.980 250 D CA 0.955 54.959 54.000 0.006 0.000 0.842 250 D CB -0.319 40.489 40.800 0.013 0.000 0.948 250 D HN 0.103 nan 8.370 nan 0.000 0.472 251 F N 0.927 120.831 119.950 -0.077 0.000 2.113 251 F HA -0.108 4.419 4.527 0.000 0.000 0.297 251 F C 2.566 178.306 175.800 -0.100 0.000 1.103 251 F CA 0.087 58.026 58.000 -0.102 0.000 1.248 251 F CB -1.253 37.648 39.000 -0.164 0.000 0.999 251 F HN -0.179 nan 8.300 nan 0.000 0.475 252 V N 0.495 120.472 119.914 0.105 0.000 2.255 252 V HA -0.320 3.800 4.120 -0.000 0.000 0.247 252 V C 2.715 178.809 176.094 0.000 0.000 1.051 252 V CA 1.974 64.285 62.300 0.019 0.000 1.018 252 V CB -1.508 30.307 31.823 -0.014 0.000 0.641 252 V HN 0.326 nan 8.190 nan 0.000 0.445 253 A N 0.649 123.471 122.820 0.004 0.000 1.940 253 A HA -0.234 4.086 4.320 -0.000 0.000 0.219 253 A C 2.540 180.118 177.584 -0.009 0.000 1.176 253 A CA 2.429 54.461 52.037 -0.009 0.000 0.631 253 A CB -0.808 18.186 19.000 -0.010 0.000 0.814 253 A HN 0.721 nan 8.150 nan 0.000 0.446 254 S N -0.354 115.353 115.700 0.011 0.000 2.423 254 S HA -0.154 4.316 4.470 -0.000 0.000 0.231 254 S C 1.353 175.922 174.600 -0.051 0.000 1.014 254 S CA 1.379 59.574 58.200 -0.009 0.000 0.965 254 S CB -0.357 62.851 63.200 0.014 0.000 0.785 254 S HN 0.532 nan 8.310 nan 0.000 0.495 255 D N 1.640 122.001 120.400 -0.065 0.000 2.137 255 D HA 0.124 4.764 4.640 -0.000 0.000 0.202 255 D C 2.042 178.279 176.300 -0.104 0.000 0.970 255 D CA 0.780 54.710 54.000 -0.118 0.000 0.837 255 D CB -0.254 40.463 40.800 -0.138 0.000 0.981 255 D HN 0.383 nan 8.370 nan 0.000 0.475 256 L N 0.460 121.642 121.223 -0.067 0.000 2.017 256 L HA -0.136 4.204 4.340 -0.000 0.000 0.208 256 L C 2.591 179.435 176.870 -0.044 0.000 1.073 256 L CA 0.780 55.591 54.840 -0.049 0.000 0.745 256 L CB -0.422 41.617 42.059 -0.033 0.000 0.894 256 L HN 0.004 nan 8.230 nan 0.000 0.432 257 L N -0.864 120.333 121.223 -0.044 0.000 2.141 257 L HA -0.167 4.173 4.340 -0.000 0.000 0.209 257 L C 2.706 179.534 176.870 -0.071 0.000 1.094 257 L CA 0.824 55.639 54.840 -0.043 0.000 0.763 257 L CB -0.372 41.666 42.059 -0.034 0.000 0.908 257 L HN 0.206 nan 8.230 nan 0.000 0.437 258 S N -0.517 115.126 115.700 -0.095 0.000 2.370 258 S HA -0.283 4.187 4.470 -0.000 0.000 0.226 258 S C 1.871 176.371 174.600 -0.167 0.000 1.033 258 S CA 1.604 59.718 58.200 -0.144 0.000 1.011 258 S CB -0.238 62.871 63.200 -0.151 0.000 0.852 258 S HN 0.412 nan 8.310 nan 0.000 0.457 259 Q N 1.715 121.459 119.800 -0.094 0.000 2.123 259 Q HA 0.153 4.493 4.340 -0.000 0.000 0.199 259 Q C 2.013 178.040 176.000 0.045 0.000 0.966 259 Q CA 1.473 57.286 55.803 0.015 0.000 0.845 259 Q CB -0.632 28.100 28.738 -0.009 0.000 0.907 259 Q HN 0.437 nan 8.270 nan 0.000 0.439 260 A N 1.202 124.024 122.820 0.004 0.000 1.933 260 A HA -0.234 4.086 4.320 -0.000 0.000 0.218 260 A C 1.872 179.465 177.584 0.015 0.000 1.175 260 A CA 1.686 53.736 52.037 0.023 0.000 0.628 260 A CB -0.862 18.147 19.000 0.015 0.000 0.814 260 A HN 0.728 nan 8.150 nan 0.000 0.444 261 E N -1.402 118.772 120.200 -0.043 0.000 2.418 261 E HA -0.211 4.139 4.350 -0.000 0.000 0.197 261 E C 1.480 178.046 176.600 -0.056 0.000 1.026 261 E CA 0.830 57.193 56.400 -0.062 0.000 0.862 261 E CB -0.454 29.182 29.700 -0.107 0.000 0.799 261 E HN 0.697 nan 8.360 nan 0.000 0.518 262 H N 0.925 119.986 119.070 -0.015 0.000 2.389 262 H HA 0.139 4.695 4.556 -0.000 0.000 0.299 262 H C 1.020 176.348 175.328 -0.001 0.000 1.081 262 H CA 1.541 57.579 56.048 -0.016 0.000 1.345 262 H CB 0.380 30.125 29.762 -0.029 0.000 1.393 262 H HN 0.356 nan 8.280 nan 0.000 0.520 263 G N -1.233 107.647 108.800 0.133 0.000 2.547 263 G HA2 0.163 4.123 3.960 -0.000 0.000 0.291 263 G HA3 0.163 4.123 3.960 -0.000 0.000 0.291 263 G C -2.278 172.656 174.900 0.057 0.000 1.471 263 G CA -0.636 44.511 45.100 0.079 0.000 0.798 263 G HN -0.181 nan 8.290 nan 0.000 0.504 264 P HA 0.071 nan 4.420 nan 0.000 0.233 264 P C 0.095 177.414 177.300 0.033 0.000 1.167 264 P CA 0.855 63.974 63.100 0.033 0.000 0.770 264 P CB 0.494 32.206 31.700 0.020 0.000 0.837 265 D N -0.657 119.762 120.400 0.031 0.000 2.363 265 D HA 0.081 4.721 4.640 -0.000 0.000 0.214 265 D C 0.213 176.545 176.300 0.053 0.000 1.093 265 D CA 0.143 54.162 54.000 0.031 0.000 0.837 265 D CB 0.312 41.115 40.800 0.004 0.000 0.948 265 D HN 0.079 nan 8.370 nan 0.000 0.507 266 S N 1.127 116.865 115.700 0.064 0.000 2.549 266 S HA 0.061 4.531 4.470 -0.000 0.000 0.283 266 S C 0.221 174.876 174.600 0.091 0.000 1.320 266 S CA -0.093 58.157 58.200 0.085 0.000 1.058 266 S CB 1.340 64.597 63.200 0.095 0.000 0.882 266 S HN 0.148 nan 8.310 nan 0.000 0.498 267 Q N 2.495 122.365 119.800 0.117 0.000 2.307 267 Q HA 0.544 4.884 4.340 -0.000 0.000 0.262 267 Q C -0.930 175.128 176.000 0.097 0.000 0.961 267 Q CA -0.697 55.177 55.803 0.118 0.000 0.882 267 Q CB 1.247 30.097 28.738 0.187 0.000 1.264 267 Q HN 0.516 nan 8.270 nan 0.000 0.446 268 V N 3.026 122.970 119.914 0.051 0.000 2.540 268 V HA 0.788 4.908 4.120 -0.000 0.000 0.302 268 V C -0.929 175.154 176.094 -0.017 0.000 1.035 268 V CA -0.598 61.716 62.300 0.024 0.000 0.873 268 V CB 1.460 33.292 31.823 0.016 0.000 0.992 268 V HN 0.830 nan 8.190 nan 0.000 0.428 269 I N 5.493 126.037 120.570 -0.044 0.000 2.582 269 I HA 0.572 4.742 4.170 -0.000 0.000 0.292 269 I C -1.184 174.888 176.117 -0.074 0.000 1.066 269 I CA -0.814 60.431 61.300 -0.091 0.000 1.053 269 I CB 2.218 40.092 38.000 -0.211 0.000 1.241 269 I HN 0.684 nan 8.210 nan 0.000 0.421 270 L N 7.195 128.374 121.223 -0.072 0.000 2.346 270 L HA 0.670 5.010 4.340 -0.000 0.000 0.276 270 L C -1.617 175.202 176.870 -0.086 0.000 1.006 270 L CA -0.210 54.591 54.840 -0.065 0.000 0.817 270 L CB 1.538 43.568 42.059 -0.048 0.000 1.272 270 L HN 0.449 nan 8.230 nan 0.000 0.421 271 L N 4.705 125.873 121.223 -0.093 0.000 2.349 271 L HA 0.694 5.034 4.340 -0.000 0.000 0.278 271 L C -0.428 176.389 176.870 -0.088 0.000 0.996 271 L CA -0.390 54.378 54.840 -0.121 0.000 0.825 271 L CB 1.930 43.893 42.059 -0.160 0.000 1.243 271 L HN 0.727 nan 8.230 nan 0.000 0.412 272 T N 2.492 116.999 114.554 -0.078 0.000 3.041 272 T HA 0.421 4.771 4.350 -0.000 0.000 0.321 272 T C -2.473 172.199 174.700 -0.047 0.000 1.184 272 T CA -1.143 60.923 62.100 -0.057 0.000 1.050 272 T CB 2.293 71.135 68.868 -0.043 0.000 1.159 272 T HN 0.205 nan 8.240 nan 0.000 0.469 273 P HA 0.272 nan 4.420 nan 0.000 0.233 273 P C -0.362 176.929 177.300 -0.015 0.000 1.167 273 P CA 0.169 63.254 63.100 -0.026 0.000 0.770 273 P CB 0.243 31.928 31.700 -0.024 0.000 0.837 274 A N -0.234 122.574 122.820 -0.019 0.000 2.273 274 A HA 0.626 4.946 4.320 -0.000 0.000 0.315 274 A C 1.400 178.976 177.584 -0.014 0.000 1.256 274 A CA -0.176 51.851 52.037 -0.015 0.000 0.851 274 A CB 0.772 19.759 19.000 -0.021 0.000 1.172 274 A HN 0.060 nan 8.150 nan 0.000 0.508 275 A N 2.385 125.201 122.820 -0.007 0.000 1.940 275 A HA -0.049 4.271 4.320 -0.000 0.000 0.219 275 A C 1.159 178.736 177.584 -0.013 0.000 1.176 275 A CA 1.768 53.802 52.037 -0.005 0.000 0.631 275 A CB -0.603 18.398 19.000 0.000 0.000 0.814 275 A HN 0.863 nan 8.150 nan 0.000 0.446 279 R N 0.525 121.010 120.500 -0.026 0.000 2.081 279 R HA -0.031 4.309 4.340 -0.000 0.000 0.235 279 R C 2.258 178.537 176.300 -0.034 0.000 1.131 279 R CA 1.732 57.816 56.100 -0.028 0.000 0.960 279 R CB -0.227 30.058 30.300 -0.024 0.000 0.856 279 R HN 0.506 nan 8.270 nan 0.000 0.436 280 R N 0.060 120.538 120.500 -0.037 0.000 2.096 280 R HA -0.086 4.254 4.340 -0.000 0.000 0.235 280 R C 2.280 178.553 176.300 -0.045 0.000 1.127 280 R CA 1.224 57.298 56.100 -0.043 0.000 0.968 280 R CB -0.306 29.965 30.300 -0.049 0.000 0.861 280 R HN 0.051 nan 8.270 nan 0.000 0.440 281 V N 0.734 120.622 119.914 -0.043 0.000 2.427 281 V HA -0.205 3.915 4.120 -0.000 0.000 0.248 281 V C 2.341 178.411 176.094 -0.041 0.000 1.051 281 V CA 1.871 64.146 62.300 -0.041 0.000 1.048 281 V CB -0.598 31.202 31.823 -0.039 0.000 0.666 281 V HN 0.413 nan 8.190 nan 0.000 0.456 282 A N -0.399 122.397 122.820 -0.041 0.000 1.933 282 A HA -0.184 4.136 4.320 -0.000 0.000 0.218 282 A C 2.202 179.752 177.584 -0.056 0.000 1.175 282 A CA 1.572 53.580 52.037 -0.049 0.000 0.628 282 A CB -0.363 18.608 19.000 -0.047 0.000 0.814 282 A HN 0.499 nan 8.150 nan 0.000 0.444 283 E N 0.040 120.210 120.200 -0.050 0.000 2.072 283 E HA -0.092 4.258 4.350 -0.000 0.000 0.191 283 E C 2.373 178.945 176.600 -0.046 0.000 0.985 283 E CA 1.249 57.618 56.400 -0.050 0.000 0.801 283 E CB -0.753 28.921 29.700 -0.043 0.000 0.750 283 E HN 0.554 nan 8.360 nan 0.000 0.452 284 A N 1.075 123.870 122.820 -0.041 0.000 1.908 284 A HA -0.153 4.167 4.320 -0.000 0.000 0.218 284 A C 2.638 180.203 177.584 -0.032 0.000 1.181 284 A CA 1.586 53.603 52.037 -0.033 0.000 0.627 284 A CB -0.768 18.213 19.000 -0.032 0.000 0.818 284 A HN 0.140 nan 8.150 nan 0.000 0.445 285 V N 0.120 120.012 119.914 -0.037 0.000 2.332 285 V HA -0.290 3.830 4.120 -0.000 0.000 0.248 285 V C 2.573 178.639 176.094 -0.047 0.000 1.055 285 V CA 2.420 64.697 62.300 -0.038 0.000 1.038 285 V CB -0.678 31.121 31.823 -0.041 0.000 0.651 285 V HN 0.818 nan 8.190 nan 0.000 0.450 286 E N -0.148 120.013 120.200 -0.064 0.000 2.072 286 E HA -0.233 4.117 4.350 -0.000 0.000 0.191 286 E C 2.439 179.007 176.600 -0.052 0.000 0.985 286 E CA 0.971 57.324 56.400 -0.078 0.000 0.801 286 E CB 0.030 29.669 29.700 -0.101 0.000 0.750 286 E HN 0.381 nan 8.360 nan 0.000 0.452 287 R N 0.470 120.946 120.500 -0.041 0.000 2.075 287 R HA -0.077 4.263 4.340 -0.000 0.000 0.232 287 R C 2.324 178.613 176.300 -0.019 0.000 1.126 287 R CA 1.255 57.339 56.100 -0.028 0.000 0.963 287 R CB -0.708 29.577 30.300 -0.024 0.000 0.858 287 R HN 0.421 nan 8.270 nan 0.000 0.435 288 Q N 0.347 120.137 119.800 -0.017 0.000 2.119 288 Q HA -0.083 4.257 4.340 -0.000 0.000 0.201 288 Q C 2.075 178.069 176.000 -0.011 0.000 0.972 288 Q CA 0.835 56.632 55.803 -0.010 0.000 0.847 288 Q CB -0.201 28.534 28.738 -0.006 0.000 0.903 288 Q HN 0.083 nan 8.270 nan 0.000 0.433 289 L N 0.880 122.093 121.223 -0.016 0.000 2.042 289 L HA -0.141 4.199 4.340 -0.000 0.000 0.210 289 L C 2.156 179.024 176.870 -0.004 0.000 1.076 289 L CA 2.059 56.893 54.840 -0.010 0.000 0.749 289 L CB -0.761 41.289 42.059 -0.015 0.000 0.893 289 L HN 0.119 nan 8.230 nan 0.000 0.432 290 A N -1.024 121.791 122.820 -0.009 0.000 2.024 290 A HA -0.214 4.106 4.320 -0.000 0.000 0.220 290 A C 2.083 179.667 177.584 -0.000 0.000 1.164 290 A CA 1.892 53.927 52.037 -0.004 0.000 0.643 290 A CB -0.568 18.426 19.000 -0.010 0.000 0.806 290 A HN 0.676 nan 8.150 nan 0.000 0.451 291 E N -0.726 119.473 120.200 -0.002 0.000 2.479 291 E HA 0.173 4.523 4.350 -0.000 0.000 0.193 291 E C -0.470 176.131 176.600 0.000 0.000 1.049 291 E CA -0.333 56.067 56.400 0.000 0.000 0.870 291 E CB 0.043 29.743 29.700 0.000 0.000 0.944 291 E HN 0.544 nan 8.360 nan 0.000 0.492 292 L N 2.149 123.372 121.223 0.000 0.000 2.361 292 L HA 0.100 4.440 4.340 -0.000 0.000 0.278 292 L C -1.499 175.373 176.870 0.003 0.000 1.113 292 L CA -1.488 53.351 54.840 -0.001 0.000 0.849 292 L CB 0.450 42.507 42.059 -0.004 0.000 1.155 292 L HN -0.186 nan 8.230 nan 0.000 0.452 293 P HA -0.180 nan 4.420 nan 0.000 0.219 293 P C -0.160 177.144 177.300 0.008 0.000 1.151 293 P CA 1.544 64.646 63.100 0.005 0.000 0.850 293 P CB 0.149 31.851 31.700 0.003 0.000 0.784 294 R N -2.487 118.018 120.500 0.007 0.000 3.101 294 R HA 0.410 4.750 4.340 -0.000 0.000 0.242 294 R C -0.235 176.071 176.300 0.011 0.000 1.831 294 R CA -0.162 55.944 56.100 0.011 0.000 1.321 294 R CB 0.802 31.108 30.300 0.011 0.000 1.512 294 R HN -0.062 nan 8.270 nan 0.000 0.568 295 A N 1.105 123.934 122.820 0.015 0.000 2.337 295 A HA 0.065 4.385 4.320 -0.000 0.000 0.227 295 A C 1.331 178.935 177.584 0.033 0.000 1.259 295 A CA 0.175 52.224 52.037 0.021 0.000 0.870 295 A CB 0.053 19.066 19.000 0.022 0.000 0.927 295 A HN 0.585 nan 8.150 nan 0.000 0.497 296 E N -0.508 119.710 120.200 0.030 0.000 2.072 296 E HA -0.122 4.228 4.350 -0.000 0.000 0.191 296 E C 1.695 178.315 176.600 0.034 0.000 0.985 296 E CA 1.657 58.077 56.400 0.033 0.000 0.801 296 E CB -0.187 29.528 29.700 0.024 0.000 0.750 296 E HN 0.526 nan 8.360 nan 0.000 0.452 297 T N 0.927 115.498 114.554 0.028 0.000 2.746 297 T HA -0.145 4.205 4.350 -0.000 0.000 0.267 297 T C 2.004 176.725 174.700 0.036 0.000 1.039 297 T CA 1.246 63.364 62.100 0.029 0.000 1.142 297 T CB -0.216 68.668 68.868 0.027 0.000 0.866 297 T HN 0.239 nan 8.240 nan 0.000 0.444 298 A N 1.532 124.371 122.820 0.032 0.000 1.933 298 A HA -0.082 4.238 4.320 -0.000 0.000 0.218 298 A C 2.276 179.899 177.584 0.064 0.000 1.175 298 A CA 1.744 53.802 52.037 0.035 0.000 0.628 298 A CB -0.579 18.431 19.000 0.017 0.000 0.814 298 A HN 0.421 nan 8.150 nan 0.000 0.444 299 R N -0.391 120.158 120.500 0.083 0.000 2.091 299 R HA -0.204 4.136 4.340 -0.000 0.000 0.238 299 R C 2.355 178.743 176.300 0.147 0.000 1.136 299 R CA 1.985 58.177 56.100 0.153 0.000 0.959 299 R CB -0.313 30.086 30.300 0.165 0.000 0.856 299 R HN 0.705 nan 8.270 nan 0.000 0.437 300 Q N -0.430 119.413 119.800 0.073 0.000 2.020 300 Q HA -0.134 4.206 4.340 -0.000 0.000 0.202 300 Q C 2.211 178.243 176.000 0.053 0.000 0.982 300 Q CA 1.678 57.503 55.803 0.036 0.000 0.838 300 Q CB -0.183 28.565 28.738 0.016 0.000 0.899 300 Q HN 0.455 nan 8.270 nan 0.000 0.423 301 A N 1.009 123.864 122.820 0.058 0.000 1.940 301 A HA -0.180 4.140 4.320 -0.000 0.000 0.219 301 A C 2.040 179.668 177.584 0.074 0.000 1.176 301 A CA 1.221 53.294 52.037 0.060 0.000 0.631 301 A CB -0.765 18.270 19.000 0.057 0.000 0.814 301 A HN 0.322 nan 8.150 nan 0.000 0.446 302 L N -0.092 121.188 121.223 0.095 0.000 2.353 302 L HA -0.159 4.181 4.340 -0.000 0.000 0.220 302 L C 1.920 178.880 176.870 0.150 0.000 1.133 302 L CA 0.577 55.483 54.840 0.109 0.000 0.798 302 L CB -0.572 41.552 42.059 0.109 0.000 0.922 302 L HN 0.394 nan 8.230 nan 0.000 0.445 303 N N 0.357 119.152 118.700 0.158 0.000 2.381 303 N HA -0.092 4.648 4.740 -0.000 0.000 0.182 303 N C 1.540 177.102 175.510 0.087 0.000 1.025 303 N CA 1.291 54.424 53.050 0.139 0.000 0.888 303 N CB 0.142 38.652 38.487 0.038 0.000 0.965 303 N HN 0.314 nan 8.380 nan 0.000 0.438 304 A N 0.273 123.136 122.820 0.071 0.000 2.348 304 A HA 0.128 4.448 4.320 -0.000 0.000 0.224 304 A C 0.888 178.502 177.584 0.051 0.000 1.227 304 A CA -0.293 51.780 52.037 0.059 0.000 0.885 304 A CB -0.090 18.945 19.000 0.060 0.000 0.933 304 A HN 0.244 nan 8.150 nan 0.000 0.506 305 S N 0.063 115.795 115.700 0.053 0.000 2.579 305 S HA 0.529 4.999 4.470 -0.000 0.000 0.275 305 S C -0.089 174.523 174.600 0.019 0.000 1.345 305 S CA -0.251 57.967 58.200 0.030 0.000 1.031 305 S CB 0.722 63.940 63.200 0.029 0.000 0.892 305 S HN 0.418 nan 8.310 nan 0.000 0.529 306 R N 1.068 121.564 120.500 -0.007 0.000 2.502 306 R HA 0.448 4.788 4.340 -0.000 0.000 0.300 306 R C -1.252 175.037 176.300 -0.019 0.000 0.984 306 R CA -0.376 55.721 56.100 -0.004 0.000 0.882 306 R CB 1.516 31.809 30.300 -0.012 0.000 1.180 306 R HN 0.619 nan 8.270 nan 0.000 0.444 307 L N 5.736 126.956 121.223 -0.004 0.000 2.297 307 L HA 0.496 4.836 4.340 -0.000 0.000 0.277 307 L C -0.469 176.402 176.870 0.001 0.000 1.040 307 L CA -0.445 54.387 54.840 -0.014 0.000 0.867 307 L CB 0.743 42.794 42.059 -0.014 0.000 1.244 307 L HN 0.505 nan 8.230 nan 0.000 0.433 308 I N 3.124 123.687 120.570 -0.012 0.000 2.359 308 I HA 0.319 4.489 4.170 -0.000 0.000 0.294 308 I C -0.023 176.092 176.117 -0.004 0.000 0.987 308 I CA -0.783 60.527 61.300 0.017 0.000 1.225 308 I CB 2.261 40.258 38.000 -0.005 0.000 1.366 308 I HN 0.159 nan 8.210 nan 0.000 0.466 309 V N 5.414 125.354 119.914 0.043 0.000 2.407 309 V HA 0.388 4.507 4.120 -0.000 0.000 0.278 309 V C 0.514 176.640 176.094 0.053 0.000 1.037 309 V CA -0.250 62.067 62.300 0.029 0.000 0.900 309 V CB 1.427 33.272 31.823 0.037 0.000 0.983 309 V HN 0.938 nan 8.190 nan 0.000 0.459 310 T N 1.381 115.933 114.554 -0.003 0.000 2.841 310 T HA 0.416 4.766 4.350 -0.000 0.000 0.276 310 T C 0.854 175.564 174.700 0.017 0.000 1.003 310 T CA -0.586 61.508 62.100 -0.010 0.000 0.995 310 T CB 1.884 70.671 68.868 -0.136 0.000 1.260 310 T HN 0.494 nan 8.240 nan 0.000 0.581 311 K N 0.263 120.679 120.400 0.027 0.000 2.076 311 K HA 0.032 4.351 4.320 -0.000 0.000 0.204 311 K C -0.219 176.383 176.600 0.004 0.000 1.051 311 K CA 1.467 57.771 56.287 0.028 0.000 0.949 311 K CB -0.104 32.422 32.500 0.044 0.000 0.726 311 K HN 0.853 nan 8.250 nan 0.000 0.443 312 D N -2.664 117.728 120.400 -0.013 0.000 2.779 312 D HA 0.031 4.671 4.640 -0.000 0.000 0.331 312 D C 0.557 176.835 176.300 -0.036 0.000 1.331 312 D CA -0.711 53.278 54.000 -0.019 0.000 0.866 312 D CB 0.127 40.922 40.800 -0.008 0.000 1.409 312 D HN -0.098 nan 8.370 nan 0.000 0.486 313 L N -0.099 121.106 121.223 -0.029 0.000 2.141 313 L HA 0.022 4.362 4.340 -0.000 0.000 0.209 313 L C 2.457 179.304 176.870 -0.038 0.000 1.094 313 L CA 1.551 56.370 54.840 -0.036 0.000 0.763 313 L CB -0.581 41.464 42.059 -0.024 0.000 0.908 313 L HN 0.654 nan 8.230 nan 0.000 0.437 314 A N -0.418 122.386 122.820 -0.027 0.000 1.940 314 A HA -0.299 4.021 4.320 -0.000 0.000 0.219 314 A C 2.245 179.805 177.584 -0.039 0.000 1.176 314 A CA 1.916 53.939 52.037 -0.023 0.000 0.631 314 A CB -0.517 18.477 19.000 -0.010 0.000 0.814 314 A HN 0.486 nan 8.150 nan 0.000 0.446 315 Q N -1.057 118.712 119.800 -0.052 0.000 2.172 315 Q HA -0.148 4.192 4.340 -0.000 0.000 0.200 315 Q C 2.062 177.963 176.000 -0.164 0.000 0.964 315 Q CA 1.561 57.310 55.803 -0.089 0.000 0.855 315 Q CB -0.331 28.359 28.738 -0.080 0.000 0.918 315 Q HN 0.713 nan 8.270 nan 0.000 0.444 316 C N -0.654 118.560 119.300 -0.143 0.000 2.429 316 C HA -0.096 4.364 4.460 -0.000 0.000 0.277 316 C C 2.559 177.476 174.990 -0.122 0.000 1.262 316 C CA 0.599 59.520 59.018 -0.161 0.000 1.733 316 C CB -0.808 26.866 27.740 -0.109 0.000 2.010 316 C HN 0.400 nan 8.230 nan 0.000 0.483 317 V N 0.908 120.777 119.914 -0.075 0.000 2.358 317 V HA -0.226 3.894 4.120 -0.000 0.000 0.246 317 V C 2.489 178.557 176.094 -0.043 0.000 1.047 317 V CA 2.294 64.567 62.300 -0.044 0.000 1.035 317 V CB -0.786 31.023 31.823 -0.024 0.000 0.658 317 V HN 0.658 nan 8.190 nan 0.000 0.452 318 E N 0.268 120.436 120.200 -0.053 0.000 2.051 318 E HA -0.229 4.121 4.350 -0.000 0.000 0.192 318 E C 2.207 178.778 176.600 -0.048 0.000 0.991 318 E CA 1.792 58.172 56.400 -0.034 0.000 0.799 318 E CB -0.187 29.500 29.700 -0.020 0.000 0.748 318 E HN 0.610 nan 8.360 nan 0.000 0.449 319 I N 0.641 121.129 120.570 -0.137 0.000 2.252 319 I HA -0.234 3.936 4.170 -0.000 0.000 0.245 319 I C 2.779 178.850 176.117 -0.077 0.000 1.102 319 I CA 1.072 62.257 61.300 -0.192 0.000 1.385 319 I CB -0.333 37.355 38.000 -0.519 0.000 1.064 319 I HN 0.157 nan 8.210 nan 0.000 0.414 320 S N 1.020 116.681 115.700 -0.064 0.000 2.356 320 S HA -0.192 4.278 4.470 -0.000 0.000 0.223 320 S C 1.910 176.553 174.600 0.070 0.000 1.032 320 S CA 1.717 59.933 58.200 0.027 0.000 1.005 320 S CB -0.300 62.907 63.200 0.012 0.000 0.867 320 S HN 0.393 nan 8.310 nan 0.000 0.449 321 N N 1.220 119.938 118.700 0.030 0.000 2.149 321 N HA -0.126 4.614 4.740 -0.000 0.000 0.188 321 N C 1.800 177.332 175.510 0.037 0.000 1.019 321 N CA 1.195 54.262 53.050 0.029 0.000 0.857 321 N CB -0.579 37.917 38.487 0.015 0.000 0.997 321 N HN 0.653 nan 8.380 nan 0.000 0.426 322 Q N -0.751 119.080 119.800 0.051 0.000 2.079 322 Q HA -0.133 4.207 4.340 -0.000 0.000 0.200 322 Q C 1.900 177.956 176.000 0.092 0.000 0.974 322 Q CA 1.038 56.880 55.803 0.065 0.000 0.840 322 Q CB -0.093 28.696 28.738 0.086 0.000 0.898 322 Q HN 0.506 nan 8.270 nan 0.000 0.430 323 Y N -0.268 120.022 120.300 -0.017 0.000 2.184 323 Y HA 0.033 4.583 4.550 0.000 0.000 0.290 323 Y C 0.959 176.847 175.900 -0.021 0.000 1.129 323 Y CA 1.176 59.265 58.100 -0.018 0.000 1.144 323 Y CB 0.088 38.538 38.460 -0.016 0.000 0.995 323 Y HN 0.269 nan 8.280 nan 0.000 0.513 324 G N 2.227 111.016 108.800 -0.018 0.000 2.422 324 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.290 324 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.290 324 G C -2.598 172.202 174.900 -0.167 0.000 1.059 324 G CA -0.093 44.953 45.100 -0.090 0.000 1.242 324 G HN 0.403 nan 8.290 nan 0.000 0.520 325 P HA 0.150 nan 4.420 nan 0.000 0.275 325 P C 0.919 178.247 177.300 0.046 0.000 1.227 325 P CA -0.139 63.024 63.100 0.105 0.000 0.781 325 P CB 1.441 33.332 31.700 0.318 0.000 0.906 326 E N 2.344 122.561 120.200 0.028 0.000 2.058 326 E HA -0.209 4.141 4.350 -0.000 0.000 0.194 326 E C -0.255 176.253 176.600 -0.153 0.000 0.997 326 E CA 1.319 57.670 56.400 -0.082 0.000 0.801 326 E CB -0.064 29.575 29.700 -0.101 0.000 0.746 326 E HN 0.629 nan 8.360 nan 0.000 0.450 327 H N -1.004 118.154 119.070 0.146 0.000 2.538 327 H HA 0.447 5.003 4.556 -0.000 0.000 0.353 327 H C -1.229 174.204 175.328 0.176 0.000 1.109 327 H CA -0.834 55.339 56.048 0.207 0.000 1.192 327 H CB 1.877 31.710 29.762 0.119 0.000 1.555 327 H HN 0.040 nan 8.280 nan 0.000 0.518 328 L N 4.052 125.483 121.223 0.348 0.000 2.356 328 L HA 0.545 4.885 4.340 -0.000 0.000 0.277 328 L C -1.523 175.514 176.870 0.279 0.000 0.996 328 L CA -0.321 54.659 54.840 0.233 0.000 0.822 328 L CB 0.777 42.934 42.059 0.163 0.000 1.256 328 L HN 0.641 nan 8.230 nan 0.000 0.413 329 I N 6.406 127.068 120.570 0.154 0.000 2.406 329 I HA 0.413 4.583 4.170 -0.000 0.000 0.290 329 I C -0.663 175.498 176.117 0.075 0.000 0.999 329 I CA -0.488 60.888 61.300 0.126 0.000 1.124 329 I CB 1.787 39.779 38.000 -0.015 0.000 1.289 329 I HN 0.516 nan 8.210 nan 0.000 0.441 330 I N 6.313 126.931 120.570 0.080 0.000 2.405 330 I HA 0.259 4.429 4.170 -0.000 0.000 0.280 330 I C -0.326 175.802 176.117 0.017 0.000 1.027 330 I CA -0.354 60.970 61.300 0.039 0.000 1.161 330 I CB 1.073 39.097 38.000 0.041 0.000 1.300 330 I HN 0.549 nan 8.210 nan 0.000 0.463 331 Q N 5.509 125.307 119.800 -0.004 0.000 2.730 331 Q HA 0.274 4.614 4.340 -0.000 0.000 0.244 331 Q C -0.224 175.763 176.000 -0.023 0.000 1.176 331 Q CA -0.369 55.420 55.803 -0.022 0.000 1.024 331 Q CB 1.088 29.808 28.738 -0.029 0.000 1.215 331 Q HN 0.744 nan 8.270 nan 0.000 0.542 332 T N -3.089 111.457 114.554 -0.013 0.000 2.901 332 T HA 0.399 4.749 4.350 -0.000 0.000 0.293 332 T C 0.768 175.466 174.700 -0.003 0.000 1.084 332 T CA -0.992 61.101 62.100 -0.011 0.000 1.008 332 T CB 1.563 70.426 68.868 -0.008 0.000 1.170 332 T HN 0.490 nan 8.240 nan 0.000 0.509 333 R N 1.619 122.119 120.500 0.000 0.000 2.096 333 R HA -0.060 4.280 4.340 -0.000 0.000 0.235 333 R C 0.975 177.284 176.300 0.016 0.000 1.127 333 R CA 1.895 58.002 56.100 0.011 0.000 0.968 333 R CB -0.766 29.540 30.300 0.010 0.000 0.861 333 R HN 0.665 nan 8.270 nan 0.000 0.440 334 N N 0.341 119.048 118.700 0.011 0.000 2.546 334 N HA 0.232 4.972 4.740 -0.000 0.000 0.286 334 N C 0.541 176.059 175.510 0.013 0.000 1.259 334 N CA 0.320 53.378 53.050 0.013 0.000 0.939 334 N CB 0.914 39.406 38.487 0.009 0.000 1.243 334 N HN 0.314 nan 8.380 nan 0.000 0.511 335 A N 1.630 124.460 122.820 0.016 0.000 1.873 335 A HA -0.234 4.086 4.320 -0.000 0.000 0.218 335 A C 2.277 179.873 177.584 0.019 0.000 1.193 335 A CA 1.559 53.607 52.037 0.017 0.000 0.629 335 A CB -0.621 18.392 19.000 0.021 0.000 0.826 335 A HN 0.468 nan 8.150 nan 0.000 0.447 336 R N -0.193 120.319 120.500 0.021 0.000 2.105 336 R HA -0.171 4.169 4.340 -0.000 0.000 0.239 336 R C 1.958 178.267 176.300 0.014 0.000 1.135 336 R CA 1.769 57.880 56.100 0.018 0.000 0.967 336 R CB -0.284 30.027 30.300 0.019 0.000 0.861 336 R HN 0.706 nan 8.270 nan 0.000 0.442 337 E N 0.181 120.389 120.200 0.014 0.000 2.204 337 E HA -0.166 4.184 4.350 -0.000 0.000 0.195 337 E C 1.824 178.429 176.600 0.009 0.000 0.990 337 E CA 0.952 57.359 56.400 0.011 0.000 0.821 337 E CB 0.019 29.725 29.700 0.011 0.000 0.750 337 E HN 0.403 nan 8.360 nan 0.000 0.477 338 L N 0.267 121.496 121.223 0.010 0.000 2.291 338 L HA -0.103 4.237 4.340 -0.000 0.000 0.214 338 L C 2.225 179.101 176.870 0.010 0.000 1.120 338 L CA 0.251 55.096 54.840 0.008 0.000 0.799 338 L CB -0.178 41.885 42.059 0.007 0.000 0.925 338 L HN 0.070 nan 8.230 nan 0.000 0.446 339 V N -0.056 119.865 119.914 0.012 0.000 2.392 339 V HA -0.322 3.798 4.120 -0.000 0.000 0.249 339 V C 1.967 178.068 176.094 0.010 0.000 1.059 339 V CA 2.019 64.326 62.300 0.012 0.000 1.051 339 V CB -0.548 31.281 31.823 0.009 0.000 0.658 339 V HN 0.417 nan 8.190 nan 0.000 0.455 340 D N 0.414 120.819 120.400 0.009 0.000 2.182 340 D HA -0.130 4.510 4.640 -0.000 0.000 0.201 340 D C 2.283 178.588 176.300 0.008 0.000 0.986 340 D CA 1.677 55.682 54.000 0.009 0.000 0.847 340 D CB -0.177 40.628 40.800 0.008 0.000 0.942 340 D HN 0.629 nan 8.370 nan 0.000 0.467 341 S N -0.549 115.156 115.700 0.008 0.000 2.593 341 S HA 0.045 4.515 4.470 -0.000 0.000 0.217 341 S C 0.726 175.331 174.600 0.008 0.000 0.966 341 S CA -0.349 57.855 58.200 0.007 0.000 0.914 341 S CB 0.074 63.277 63.200 0.004 0.000 0.776 341 S HN -0.023 nan 8.310 nan 0.000 0.523 342 I N 4.150 124.726 120.570 0.011 0.000 2.396 342 I HA 0.164 4.334 4.170 -0.000 0.000 0.289 342 I C 1.569 177.694 176.117 0.014 0.000 1.056 342 I CA 0.185 61.494 61.300 0.015 0.000 1.365 342 I CB 0.496 38.508 38.000 0.020 0.000 1.407 342 I HN 0.423 nan 8.210 nan 0.000 0.509 343 T N 0.749 115.311 114.554 0.013 0.000 2.990 343 T HA 0.119 4.469 4.350 -0.000 0.000 0.250 343 T C 0.719 175.426 174.700 0.011 0.000 1.041 343 T CA -0.153 61.954 62.100 0.011 0.000 1.010 343 T CB 0.355 69.229 68.868 0.009 0.000 1.003 343 T HN 0.433 nan 8.240 nan 0.000 0.499 344 S N 0.201 115.909 115.700 0.013 0.000 2.720 344 S HA 0.738 5.208 4.470 -0.000 0.000 0.278 344 S C -1.288 173.321 174.600 0.017 0.000 1.172 344 S CA -0.048 58.157 58.200 0.009 0.000 1.019 344 S CB 0.842 64.040 63.200 -0.003 0.000 1.049 344 S HN 1.007 nan 8.310 nan 0.000 0.483 345 A N 2.933 125.763 122.820 0.017 0.000 2.581 345 A HA 0.669 4.989 4.320 -0.000 0.000 0.294 345 A C 0.602 178.199 177.584 0.021 0.000 1.035 345 A CA -0.213 51.842 52.037 0.030 0.000 0.684 345 A CB 0.088 19.122 19.000 0.056 0.000 1.282 345 A HN 1.063 nan 8.150 nan 0.000 0.417 346 G N 0.019 108.825 108.800 0.010 0.000 2.425 346 G HA2 0.382 4.342 3.960 -0.000 0.000 0.213 346 G HA3 0.382 4.342 3.960 -0.000 0.000 0.213 346 G C 0.715 175.620 174.900 0.009 0.000 1.201 346 G CA 1.356 46.452 45.100 -0.006 0.000 0.799 346 G HN 1.555 nan 8.290 nan 0.000 0.534 347 S N -1.155 114.564 115.700 0.033 0.000 2.547 347 S HA 0.580 5.050 4.470 -0.000 0.000 0.281 347 S C -1.109 173.532 174.600 0.069 0.000 1.118 347 S CA -0.619 57.586 58.200 0.009 0.000 0.947 347 S CB 1.826 65.047 63.200 0.035 0.000 1.053 347 S HN 0.149 nan 8.310 nan 0.000 0.482 348 V N 4.728 124.580 119.914 -0.104 0.000 2.581 348 V HA 0.655 4.775 4.120 -0.000 0.000 0.303 348 V C -1.216 174.742 176.094 -0.226 0.000 1.041 348 V CA -0.600 61.702 62.300 0.004 0.000 0.907 348 V CB 1.267 33.092 31.823 0.004 0.000 0.994 348 V HN 0.808 nan 8.190 nan 0.000 0.442 349 F N 4.181 124.147 119.950 0.026 0.000 2.493 349 F HA 0.681 5.208 4.527 -0.000 0.000 0.329 349 F C -0.170 175.630 175.800 -0.001 0.000 1.126 349 F CA -0.670 57.335 58.000 0.010 0.000 0.937 349 F CB 1.541 40.547 39.000 0.010 0.000 1.146 349 F HN 0.157 nan 8.300 nan 0.000 0.442 350 L N 2.934 124.228 121.223 0.118 0.000 2.329 350 L HA 0.885 5.225 4.340 -0.000 0.000 0.279 350 L C 0.480 177.382 176.870 0.055 0.000 1.014 350 L CA -0.745 54.138 54.840 0.072 0.000 0.814 350 L CB 1.471 43.553 42.059 0.039 0.000 1.257 350 L HN 0.867 nan 8.230 nan 0.000 0.424 351 G N 2.120 110.931 108.800 0.019 0.000 2.796 351 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.571 351 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.571 351 G C -0.009 174.793 174.900 -0.164 0.000 1.370 351 G CA -0.223 44.854 45.100 -0.038 0.000 0.856 351 G HN 0.695 nan 8.290 nan 0.000 0.538 352 D N -0.409 119.750 120.400 -0.401 0.000 2.264 352 D HA -0.008 4.632 4.640 -0.000 0.000 0.208 352 D C 1.701 177.392 176.300 -1.015 0.000 0.966 352 D CA 1.625 55.176 54.000 -0.749 0.000 0.864 352 D CB -0.044 40.098 40.800 -1.097 0.000 0.933 352 D HN 0.541 nan 8.370 nan 0.000 0.499 353 W N 0.581 121.874 121.300 -0.012 0.000 3.223 353 W HA 0.263 4.923 4.660 -0.000 0.000 0.389 353 W C 0.237 176.741 176.519 -0.024 0.000 1.118 353 W CA -0.331 56.977 57.345 -0.062 0.000 1.902 353 W CB 0.240 29.684 29.460 -0.026 0.000 1.094 353 W HN -0.297 nan 8.180 nan 0.000 0.666 354 S N 2.551 118.286 115.700 0.058 0.000 2.222 354 S HA 0.205 4.675 4.470 -0.000 0.000 0.173 354 S C -2.144 172.530 174.600 0.123 0.000 1.466 354 S CA -0.937 57.354 58.200 0.152 0.000 1.184 354 S CB 0.108 63.431 63.200 0.205 0.000 1.168 354 S HN -0.094 nan 8.310 nan 0.000 0.475 355 P HA 0.081 nan 4.420 nan 0.000 0.270 355 P C 0.757 177.942 177.300 -0.192 0.000 1.223 355 P CA -0.168 62.865 63.100 -0.111 0.000 0.785 355 P CB 1.015 32.656 31.700 -0.099 0.000 0.923 356 E N 1.028 120.934 120.200 -0.490 0.000 2.118 356 E HA -0.163 4.187 4.350 -0.000 0.000 0.195 356 E C 1.684 178.148 176.600 -0.227 0.000 0.992 356 E CA 1.585 57.517 56.400 -0.781 0.000 0.804 356 E CB -0.275 28.969 29.700 -0.761 0.000 0.741 356 E HN 0.359 nan 8.360 nan 0.000 0.458 357 S N 0.650 116.291 115.700 -0.099 0.000 2.374 357 S HA -0.261 4.209 4.470 -0.000 0.000 0.227 357 S C 2.097 176.819 174.600 0.204 0.000 1.037 357 S CA 1.131 59.383 58.200 0.086 0.000 1.024 357 S CB -0.442 62.831 63.200 0.121 0.000 0.861 357 S HN 0.523 nan 8.310 nan 0.000 0.456 358 A N 1.464 124.388 122.820 0.173 0.000 1.940 358 A HA 0.033 4.353 4.320 -0.000 0.000 0.219 358 A C 2.332 180.065 177.584 0.249 0.000 1.176 358 A CA 1.795 53.958 52.037 0.210 0.000 0.631 358 A CB -1.331 17.779 19.000 0.184 0.000 0.814 358 A HN 0.544 nan 8.150 nan 0.000 0.446 359 G N -0.713 108.314 108.800 0.379 0.000 2.408 359 G HA2 -0.118 3.842 3.960 -0.000 0.000 0.215 359 G HA3 -0.118 3.842 3.960 -0.000 0.000 0.215 359 G C 1.088 176.140 174.900 0.252 0.000 1.156 359 G CA 1.014 46.328 45.100 0.357 0.000 0.793 359 G HN 0.419 nan 8.290 nan 0.000 0.535 360 D N -0.273 120.217 120.400 0.149 0.000 2.149 360 D HA -0.079 4.561 4.640 -0.000 0.000 0.198 360 D C 1.730 177.945 176.300 -0.143 0.000 0.990 360 D CA 1.071 55.029 54.000 -0.069 0.000 0.839 360 D CB -0.067 40.456 40.800 -0.460 0.000 0.948 360 D HN 0.545 nan 8.370 nan 0.000 0.460 361 Y N -1.328 119.082 120.300 0.184 0.000 2.609 361 Y HA 0.424 4.974 4.550 -0.000 0.000 0.281 361 Y C 1.735 177.699 175.900 0.106 0.000 1.132 361 Y CA 0.398 58.578 58.100 0.132 0.000 1.264 361 Y CB 0.688 39.200 38.460 0.085 0.000 1.325 361 Y HN -0.060 nan 8.280 nan 0.000 0.514 362 A N -1.064 121.909 122.820 0.256 0.000 2.733 362 A HA 0.143 4.463 4.320 -0.000 0.000 0.232 362 A C 1.581 179.228 177.584 0.106 0.000 1.251 362 A CA 0.503 52.640 52.037 0.167 0.000 1.015 362 A CB -0.730 18.363 19.000 0.155 0.000 1.291 362 A HN 0.207 nan 8.150 nan 0.000 0.595 363 S N -0.867 114.886 115.700 0.087 0.000 2.399 363 S HA 0.281 4.751 4.470 -0.000 0.000 0.231 363 S C 1.685 176.270 174.600 -0.025 0.000 1.022 363 S CA 1.882 60.092 58.200 0.018 0.000 0.983 363 S CB -0.142 63.045 63.200 -0.023 0.000 0.803 363 S HN 1.981 nan 8.310 nan 0.000 0.480 364 G N 0.416 109.218 108.800 0.002 0.000 2.336 364 G HA2 -0.142 3.818 3.960 -0.000 0.000 0.194 364 G HA3 -0.142 3.818 3.960 -0.000 0.000 0.194 364 G C 0.317 175.251 174.900 0.056 0.000 0.999 364 G CA 0.092 45.222 45.100 0.051 0.000 0.669 364 G HN 1.142 nan 8.290 nan 0.000 0.482 365 T N -0.399 114.045 114.554 -0.182 0.000 2.813 365 T HA 0.502 4.852 4.350 -0.000 0.000 0.297 365 T C 0.182 174.992 174.700 0.182 0.000 1.036 365 T CA -0.078 61.916 62.100 -0.177 0.000 1.044 365 T CB 1.587 70.242 68.868 -0.354 0.000 0.993 365 T HN 0.229 nan 8.240 nan 0.000 0.535 366 N N 0.569 119.445 118.700 0.294 0.000 2.472 366 N HA 0.048 4.788 4.740 -0.000 0.000 0.277 366 N C 1.113 176.754 175.510 0.217 0.000 1.081 366 N CA -0.359 52.854 53.050 0.272 0.000 0.973 366 N CB 0.719 39.433 38.487 0.379 0.000 1.105 366 N HN 0.989 nan 8.380 nan 0.000 0.470 367 H N 0.835 119.991 119.070 0.143 0.000 2.539 367 H HA 0.174 4.730 4.556 -0.000 0.000 0.269 367 H C -0.254 175.138 175.328 0.107 0.000 0.980 367 H CA -0.268 55.862 56.048 0.136 0.000 1.152 367 H CB 0.373 30.185 29.762 0.083 0.000 1.407 367 H HN 0.044 nan 8.280 nan 0.000 0.564 368 V N 3.101 123.208 119.914 0.322 0.000 2.389 368 V HA 0.196 4.316 4.120 -0.000 0.000 0.264 368 V C -0.116 176.073 176.094 0.158 0.000 1.049 368 V CA -0.044 62.407 62.300 0.251 0.000 0.932 368 V CB 0.539 32.495 31.823 0.221 0.000 1.011 368 V HN 0.289 nan 8.190 nan 0.000 0.475 369 L N 6.726 128.004 121.223 0.092 0.000 2.376 369 L HA 0.623 4.963 4.340 -0.000 0.000 0.258 369 L C -2.471 174.411 176.870 0.020 0.000 1.013 369 L CA -2.006 52.853 54.840 0.031 0.000 0.822 369 L CB 2.966 44.984 42.059 -0.069 0.000 1.388 369 L HN 0.349 nan 8.230 nan 0.000 0.413 370 P HA 0.175 nan 4.420 nan 0.000 0.276 370 P C -0.767 176.580 177.300 0.078 0.000 1.230 370 P CA 0.010 63.151 63.100 0.068 0.000 0.776 370 P CB 1.651 33.398 31.700 0.078 0.000 0.888 371 T N 1.346 115.999 114.554 0.166 0.000 2.693 371 T HA 0.343 4.693 4.350 -0.000 0.000 0.278 371 T C -0.766 174.065 174.700 0.219 0.000 0.994 371 T CA -0.370 61.811 62.100 0.136 0.000 1.033 371 T CB -0.014 68.925 68.868 0.118 0.000 1.342 371 T HN 0.288 nan 8.240 nan 0.000 0.538 372 Y N 0.265 120.523 120.300 -0.070 0.000 3.491 372 Y HA -0.233 4.317 4.550 -0.000 0.000 0.215 372 Y C 1.151 176.819 175.900 -0.386 0.000 1.219 372 Y CA 2.047 60.038 58.100 -0.182 0.000 1.485 372 Y CB -1.302 37.092 38.460 -0.111 0.000 1.450 372 Y HN 1.371 nan 8.280 nan 0.000 0.603 373 G N -1.382 107.208 108.800 -0.351 0.000 2.225 373 G HA2 -0.437 3.523 3.960 -0.000 0.000 0.254 373 G HA3 -0.437 3.523 3.960 -0.000 0.000 0.254 373 G C 0.759 175.504 174.900 -0.258 0.000 0.988 373 G CA 0.273 45.129 45.100 -0.407 0.000 0.625 373 G HN 0.646 nan 8.290 nan 0.000 0.527 374 Y N 1.921 122.172 120.300 -0.082 0.000 2.651 374 Y HA -0.050 4.500 4.550 -0.000 0.000 0.296 374 Y C 3.042 178.913 175.900 -0.049 0.000 1.150 374 Y CA 1.654 59.725 58.100 -0.048 0.000 1.348 374 Y CB -0.147 38.308 38.460 -0.009 0.000 0.983 374 Y HN 0.500 nan 8.280 nan 0.000 0.555 375 T N -3.280 111.310 114.554 0.060 0.000 3.051 375 T HA -0.079 4.271 4.350 -0.000 0.000 0.269 375 T C 2.055 176.762 174.700 0.012 0.000 1.127 375 T CA 0.625 62.739 62.100 0.025 0.000 1.107 375 T CB -0.261 68.599 68.868 -0.014 0.000 0.898 375 T HN 0.366 nan 8.240 nan 0.000 0.517 376 A N 2.207 125.027 122.820 -0.001 0.000 1.940 376 A HA -0.033 4.287 4.320 -0.000 0.000 0.219 376 A C 2.546 180.140 177.584 0.016 0.000 1.176 376 A CA 2.049 54.082 52.037 -0.007 0.000 0.631 376 A CB -0.852 18.131 19.000 -0.029 0.000 0.814 376 A HN 0.733 nan 8.150 nan 0.000 0.446 377 T N -6.349 108.230 114.554 0.042 0.000 2.993 377 T HA 0.264 4.614 4.350 -0.000 0.000 0.260 377 T C 0.354 175.072 174.700 0.030 0.000 0.939 377 T CA 0.238 62.359 62.100 0.035 0.000 0.886 377 T CB -0.659 68.233 68.868 0.040 0.000 1.209 377 T HN 0.278 nan 8.240 nan 0.000 0.518 378 C N 2.260 121.587 119.300 0.044 0.000 2.351 378 C HA 0.859 5.319 4.460 -0.000 0.000 0.359 378 C C 0.659 175.663 174.990 0.023 0.000 1.193 378 C CA -0.507 58.523 59.018 0.019 0.000 2.270 378 C CB 1.206 28.947 27.740 0.002 0.000 2.369 378 C HN 0.522 nan 8.230 nan 0.000 0.553 379 S N 0.418 116.128 115.700 0.017 0.000 2.681 379 S HA 0.484 4.954 4.470 -0.000 0.000 0.299 379 S C -0.123 174.503 174.600 0.043 0.000 1.113 379 S CA -0.375 57.842 58.200 0.029 0.000 1.013 379 S CB 1.490 64.707 63.200 0.029 0.000 1.076 379 S HN 0.899 nan 8.310 nan 0.000 0.534 380 S N 0.772 116.506 115.700 0.055 0.000 2.558 380 S HA 0.073 4.543 4.470 -0.000 0.000 0.287 380 S C 0.014 174.683 174.600 0.115 0.000 1.321 380 S CA -0.582 57.668 58.200 0.082 0.000 1.048 380 S CB -0.196 63.062 63.200 0.098 0.000 0.844 380 S HN 0.498 nan 8.310 nan 0.000 0.512 381 L N 4.576 125.892 121.223 0.155 0.000 2.485 381 L HA 0.556 4.896 4.340 -0.000 0.000 0.275 381 L C 0.688 177.718 176.870 0.266 0.000 1.207 381 L CA 1.553 56.522 54.840 0.216 0.000 0.855 381 L CB 0.012 42.234 42.059 0.271 0.000 1.114 381 L HN 0.850 nan 8.230 nan 0.000 0.485 382 G N 3.059 112.032 108.800 0.290 0.000 2.749 382 G HA2 0.308 4.268 3.960 -0.000 0.000 0.300 382 G HA3 0.308 4.268 3.960 -0.000 0.000 0.300 382 G C -0.255 174.862 174.900 0.361 0.000 1.352 382 G CA -0.261 45.009 45.100 0.282 0.000 0.789 382 G HN 0.692 nan 8.290 nan 0.000 0.509 383 L N 0.759 122.133 121.223 0.253 0.000 2.043 383 L HA 0.016 4.356 4.340 -0.000 0.000 0.212 383 L C 3.027 180.039 176.870 0.236 0.000 1.075 383 L CA 3.202 58.169 54.840 0.211 0.000 0.752 383 L CB -0.647 41.451 42.059 0.065 0.000 0.891 383 L HN 0.717 nan 8.230 nan 0.000 0.432 384 A N -1.190 121.717 122.820 0.144 0.000 2.076 384 A HA -0.226 4.094 4.320 -0.000 0.000 0.220 384 A C 1.882 179.535 177.584 0.115 0.000 1.160 384 A CA 1.872 53.971 52.037 0.103 0.000 0.653 384 A CB -0.744 18.288 19.000 0.053 0.000 0.801 384 A HN 0.613 nan 8.150 nan 0.000 0.455 385 D N -1.513 118.978 120.400 0.151 0.000 2.363 385 D HA 0.002 4.642 4.640 -0.000 0.000 0.220 385 D C 0.250 176.479 176.300 -0.118 0.000 0.994 385 D CA 0.700 54.711 54.000 0.018 0.000 0.890 385 D CB -0.073 40.735 40.800 0.013 0.000 0.906 385 D HN 0.565 nan 8.370 nan 0.000 0.530 386 F N 0.742 120.768 119.950 0.127 0.000 2.639 386 F HA 0.179 4.706 4.527 -0.000 0.000 0.302 386 F C 1.132 176.971 175.800 0.064 0.000 1.097 386 F CA -0.249 57.804 58.000 0.089 0.000 1.294 386 F CB 0.405 39.370 39.000 -0.059 0.000 1.027 386 F HN -0.134 nan 8.300 nan 0.000 0.550 387 Q N 0.284 120.180 119.800 0.161 0.000 2.831 387 Q HA 0.546 4.886 4.340 -0.000 0.000 0.322 387 Q C -1.418 174.619 176.000 0.061 0.000 0.923 387 Q CA -1.272 54.594 55.803 0.105 0.000 0.767 387 Q CB 2.401 31.196 28.738 0.095 0.000 1.469 387 Q HN -0.004 nan 8.270 nan 0.000 0.496 388 K N 0.292 120.719 120.400 0.044 0.000 2.532 388 K HA 0.590 4.910 4.320 -0.000 0.000 0.265 388 K C -1.149 175.464 176.600 0.022 0.000 0.948 388 K CA -0.847 55.456 56.287 0.027 0.000 0.842 388 K CB 2.839 35.350 32.500 0.019 0.000 1.392 388 K HN 0.703 nan 8.250 nan 0.000 0.436 392 V N 2.236 122.157 119.914 0.012 0.000 2.888 392 V HA 0.816 4.936 4.120 -0.000 0.000 0.309 392 V C -1.208 174.895 176.094 0.014 0.000 1.114 392 V CA -0.821 61.486 62.300 0.012 0.000 0.940 392 V CB 1.940 33.769 31.823 0.010 0.000 1.021 392 V HN 1.216 nan 8.190 nan 0.000 0.426 393 Q N 2.590 122.400 119.800 0.017 0.000 2.345 393 Q HA 0.718 5.058 4.340 -0.000 0.000 0.275 393 Q C -1.390 174.624 176.000 0.022 0.000 1.063 393 Q CA -0.796 55.020 55.803 0.022 0.000 0.819 393 Q CB 3.457 32.212 28.738 0.028 0.000 1.356 393 Q HN 0.826 nan 8.270 nan 0.000 0.418 394 E N 2.866 123.081 120.200 0.025 0.000 2.260 394 E HA 0.454 4.803 4.350 -0.000 0.000 0.266 394 E C -1.649 174.975 176.600 0.040 0.000 0.887 394 E CA -0.656 55.759 56.400 0.026 0.000 0.777 394 E CB 1.375 31.085 29.700 0.017 0.000 1.205 394 E HN 0.543 nan 8.360 nan 0.000 0.414 395 L N 3.286 124.544 121.223 0.057 0.000 2.309 395 L HA 0.382 4.722 4.340 -0.000 0.000 0.282 395 L C 0.443 177.362 176.870 0.083 0.000 1.036 395 L CA -0.274 54.619 54.840 0.088 0.000 0.806 395 L CB 1.635 43.789 42.059 0.159 0.000 1.220 395 L HN 0.627 nan 8.230 nan 0.000 0.429 396 S N 1.839 117.586 115.700 0.079 0.000 2.641 396 S HA 0.314 4.784 4.470 -0.000 0.000 0.261 396 S C 1.013 175.679 174.600 0.110 0.000 1.257 396 S CA -0.545 57.695 58.200 0.066 0.000 0.983 396 S CB 0.701 63.931 63.200 0.050 0.000 0.990 396 S HN 0.583 nan 8.310 nan 0.000 0.572 397 K N 0.465 120.919 120.400 0.089 0.000 2.057 397 K HA -0.149 4.171 4.320 -0.000 0.000 0.207 397 K C 2.236 178.933 176.600 0.162 0.000 1.049 397 K CA 1.656 58.022 56.287 0.132 0.000 0.931 397 K CB -0.266 32.281 32.500 0.077 0.000 0.714 397 K HN 0.803 nan 8.250 nan 0.000 0.440 398 E N 0.428 120.686 120.200 0.096 0.000 2.072 398 E HA -0.138 4.212 4.350 -0.000 0.000 0.191 398 E C 2.129 178.763 176.600 0.057 0.000 0.985 398 E CA 1.161 57.602 56.400 0.068 0.000 0.801 398 E CB -0.099 29.625 29.700 0.040 0.000 0.750 398 E HN 0.366 nan 8.360 nan 0.000 0.452 399 G N 0.619 109.461 108.800 0.070 0.000 2.421 399 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.216 399 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.216 399 G C 1.375 176.301 174.900 0.044 0.000 1.171 399 G CA 0.703 45.832 45.100 0.049 0.000 0.775 399 G HN 0.412 nan 8.290 nan 0.000 0.543 400 F N 2.173 122.125 119.950 0.003 0.000 2.102 400 F HA -0.093 4.434 4.527 -0.000 0.000 0.298 400 F C 2.839 178.642 175.800 0.004 0.000 1.105 400 F CA 1.948 59.951 58.000 0.004 0.000 1.239 400 F CB -0.274 38.728 39.000 0.003 0.000 0.991 400 F HN 0.143 nan 8.300 nan 0.000 0.474 401 S N 0.480 116.089 115.700 -0.152 0.000 2.383 401 S HA -0.174 4.296 4.470 -0.000 0.000 0.229 401 S C 2.203 176.661 174.600 -0.236 0.000 1.030 401 S CA 1.096 59.166 58.200 -0.217 0.000 1.002 401 S CB -0.796 62.410 63.200 0.010 0.000 0.829 401 S HN 0.563 nan 8.310 nan 0.000 0.467 402 A N 0.172 122.901 122.820 -0.152 0.000 2.066 402 A HA 0.150 4.470 4.320 -0.000 0.000 0.218 402 A C 1.883 179.379 177.584 -0.147 0.000 1.157 402 A CA 0.789 52.756 52.037 -0.115 0.000 0.670 402 A CB -0.216 18.747 19.000 -0.060 0.000 0.804 402 A HN 0.414 nan 8.150 nan 0.000 0.453 403 L N -1.660 119.433 121.223 -0.218 0.000 2.590 403 L HA 0.408 4.748 4.340 -0.000 0.000 0.227 403 L C 2.362 179.076 176.870 -0.260 0.000 1.099 403 L CA 1.080 55.805 54.840 -0.191 0.000 0.872 403 L CB -0.427 41.550 42.059 -0.136 0.000 1.088 403 L HN 0.271 nan 8.230 nan 0.000 0.479 404 A N -0.859 121.686 122.820 -0.458 0.000 1.873 404 A HA -0.297 4.023 4.320 -0.000 0.000 0.218 404 A C 2.501 179.969 177.584 -0.194 0.000 1.193 404 A CA 2.261 54.027 52.037 -0.452 0.000 0.629 404 A CB -1.164 17.446 19.000 -0.649 0.000 0.826 404 A HN 0.474 nan 8.150 nan 0.000 0.447 405 S N -1.405 114.206 115.700 -0.149 0.000 2.382 405 S HA -0.152 4.318 4.470 -0.000 0.000 0.228 405 S C 2.054 176.617 174.600 -0.060 0.000 1.027 405 S CA 2.232 60.384 58.200 -0.080 0.000 0.991 405 S CB -0.679 62.482 63.200 -0.065 0.000 0.823 405 S HN 0.622 nan 8.310 nan 0.000 0.469 406 T N 2.373 116.886 114.554 -0.070 0.000 2.708 406 T HA 0.011 4.361 4.350 -0.000 0.000 0.266 406 T C 1.685 176.365 174.700 -0.034 0.000 1.037 406 T CA 1.664 63.736 62.100 -0.047 0.000 1.146 406 T CB -0.385 68.453 68.868 -0.049 0.000 0.865 406 T HN 0.447 nan 8.240 nan 0.000 0.435 407 I N 0.841 121.386 120.570 -0.041 0.000 2.286 407 I HA -0.139 4.031 4.170 -0.000 0.000 0.248 407 I C 2.614 178.736 176.117 0.008 0.000 1.115 407 I CA 1.297 62.593 61.300 -0.007 0.000 1.392 407 I CB -0.409 37.596 38.000 0.008 0.000 1.065 407 I HN 0.311 nan 8.210 nan 0.000 0.418 408 E N 0.395 120.594 120.200 -0.002 0.000 2.077 408 E HA -0.177 4.173 4.350 -0.000 0.000 0.193 408 E C 2.190 178.793 176.600 0.005 0.000 0.989 408 E CA 1.800 58.207 56.400 0.013 0.000 0.800 408 E CB -0.179 29.525 29.700 0.007 0.000 0.746 408 E HN 0.462 nan 8.360 nan 0.000 0.452 409 T N 1.806 116.356 114.554 -0.007 0.000 2.684 409 T HA -0.150 4.200 4.350 -0.000 0.000 0.267 409 T C 2.008 176.703 174.700 -0.009 0.000 1.036 409 T CA 1.002 63.096 62.100 -0.009 0.000 1.148 409 T CB -0.229 68.630 68.868 -0.014 0.000 0.863 409 T HN 0.083 nan 8.240 nan 0.000 0.436 410 L N 0.650 121.867 121.223 -0.010 0.000 2.056 410 L HA -0.038 4.302 4.340 -0.000 0.000 0.207 410 L C 3.049 179.907 176.870 -0.021 0.000 1.078 410 L CA 1.209 56.041 54.840 -0.015 0.000 0.749 410 L CB -0.680 41.371 42.059 -0.013 0.000 0.901 410 L HN 0.228 nan 8.230 nan 0.000 0.433 411 A N 0.066 122.881 122.820 -0.008 0.000 1.930 411 A HA -0.106 4.214 4.320 -0.000 0.000 0.217 411 A C 2.537 180.113 177.584 -0.014 0.000 1.175 411 A CA 1.569 53.596 52.037 -0.016 0.000 0.627 411 A CB -0.634 18.392 19.000 0.043 0.000 0.815 411 A HN 0.384 nan 8.150 nan 0.000 0.443 412 A N -0.083 122.736 122.820 -0.001 0.000 1.933 412 A HA 0.180 4.500 4.320 -0.000 0.000 0.218 412 A C 2.447 180.024 177.584 -0.010 0.000 1.175 412 A CA 1.904 53.941 52.037 -0.001 0.000 0.628 412 A CB -0.909 18.092 19.000 0.003 0.000 0.814 412 A HN 1.049 nan 8.150 nan 0.000 0.444 413 A N -0.295 122.516 122.820 -0.015 0.000 2.015 413 A HA -0.112 4.208 4.320 -0.000 0.000 0.219 413 A C 1.728 179.297 177.584 -0.025 0.000 1.163 413 A CA 1.421 53.448 52.037 -0.018 0.000 0.646 413 A CB -0.355 18.634 19.000 -0.017 0.000 0.806 413 A HN 0.633 nan 8.150 nan 0.000 0.448 414 E N -0.768 119.409 120.200 -0.039 0.000 2.479 414 E HA 0.079 4.429 4.350 -0.000 0.000 0.193 414 E C -0.404 176.168 176.600 -0.047 0.000 1.049 414 E CA -0.337 56.032 56.400 -0.053 0.000 0.870 414 E CB 0.053 29.700 29.700 -0.089 0.000 0.944 414 E HN 0.453 nan 8.360 nan 0.000 0.492 415 R N 0.508 120.990 120.500 -0.030 0.000 3.333 415 R HA -0.178 4.162 4.340 -0.000 0.000 0.256 415 R C -0.545 175.747 176.300 -0.013 0.000 1.010 415 R CA 0.441 56.532 56.100 -0.015 0.000 0.680 415 R CB -2.118 28.176 30.300 -0.011 0.000 1.102 415 R HN 0.227 nan 8.270 nan 0.000 0.440 416 L N 0.448 121.658 121.223 -0.021 0.000 2.435 416 L HA 0.160 4.500 4.340 -0.000 0.000 0.253 416 L C 1.428 178.342 176.870 0.074 0.000 1.087 416 L CA -0.335 54.507 54.840 0.003 0.000 0.950 416 L CB 1.403 43.366 42.059 -0.160 0.000 1.304 416 L HN 0.106 nan 8.230 nan 0.000 0.453 417 T N 0.403 114.996 114.554 0.065 0.000 2.788 417 T HA -0.176 4.174 4.350 -0.000 0.000 0.268 417 T C 1.983 176.734 174.700 0.085 0.000 1.044 417 T CA 1.688 63.827 62.100 0.064 0.000 1.139 417 T CB 0.236 69.128 68.868 0.041 0.000 0.867 417 T HN 0.666 nan 8.240 nan 0.000 0.454 418 A N 1.018 123.899 122.820 0.102 0.000 1.902 418 A HA -0.165 4.155 4.320 -0.000 0.000 0.217 418 A C 1.934 179.565 177.584 0.079 0.000 1.181 418 A CA 1.806 53.887 52.037 0.072 0.000 0.623 418 A CB -0.851 18.178 19.000 0.047 0.000 0.818 418 A HN 0.541 nan 8.150 nan 0.000 0.443 419 H N -0.504 118.577 119.070 0.019 0.000 2.353 419 H HA -0.089 4.467 4.556 -0.000 0.000 0.300 419 H C 2.057 177.405 175.328 0.034 0.000 1.090 419 H CA 1.873 57.936 56.048 0.025 0.000 1.327 419 H CB -0.030 29.745 29.762 0.022 0.000 1.383 419 H HN 0.544 nan 8.280 nan 0.000 0.508 420 K N 0.264 120.761 120.400 0.161 0.000 2.057 420 K HA -0.141 4.179 4.320 -0.000 0.000 0.206 420 K C 1.579 178.229 176.600 0.084 0.000 1.050 420 K CA 1.338 57.685 56.287 0.101 0.000 0.935 420 K CB 0.146 32.688 32.500 0.070 0.000 0.715 420 K HN 0.191 nan 8.250 nan 0.000 0.439 421 N N 0.841 119.581 118.700 0.068 0.000 2.289 421 N HA -0.133 4.607 4.740 -0.000 0.000 0.184 421 N C 1.468 177.006 175.510 0.046 0.000 1.016 421 N CA 1.217 54.297 53.050 0.050 0.000 0.872 421 N CB -0.307 38.200 38.487 0.034 0.000 0.973 421 N HN 0.288 nan 8.380 nan 0.000 0.433 422 A N 0.134 122.979 122.820 0.041 0.000 2.015 422 A HA -0.028 4.292 4.320 -0.000 0.000 0.219 422 A C 2.325 179.953 177.584 0.073 0.000 1.163 422 A CA 0.970 53.022 52.037 0.025 0.000 0.646 422 A CB -0.324 18.672 19.000 -0.006 0.000 0.806 422 A HN 0.113 nan 8.150 nan 0.000 0.448 423 V N -0.984 119.013 119.914 0.138 0.000 2.379 423 V HA -0.144 3.976 4.120 -0.000 0.000 0.243 423 V C 2.664 178.907 176.094 0.249 0.000 1.035 423 V CA 2.212 64.677 62.300 0.274 0.000 1.035 423 V CB -1.183 30.773 31.823 0.223 0.000 0.673 423 V HN 0.533 nan 8.190 nan 0.000 0.457 424 T N 0.917 115.555 114.554 0.139 0.000 2.665 424 T HA -0.209 4.141 4.350 -0.000 0.000 0.268 424 T C 1.935 176.689 174.700 0.090 0.000 1.035 424 T CA 1.769 63.932 62.100 0.105 0.000 1.151 424 T CB -0.392 68.515 68.868 0.065 0.000 0.862 424 T HN 0.251 nan 8.240 nan 0.000 0.438 425 L N 0.210 121.468 121.223 0.059 0.000 2.043 425 L HA -0.182 4.158 4.340 -0.000 0.000 0.212 425 L C 2.872 179.749 176.870 0.011 0.000 1.075 425 L CA 1.605 56.459 54.840 0.024 0.000 0.752 425 L CB -0.410 41.648 42.059 -0.002 0.000 0.891 425 L HN 0.190 nan 8.230 nan 0.000 0.432 426 R N -1.106 119.392 120.500 -0.003 0.000 2.073 426 R HA -0.091 4.249 4.340 -0.000 0.000 0.229 426 R C 2.220 178.567 176.300 0.079 0.000 1.120 426 R CA 0.954 56.993 56.100 -0.101 0.000 0.967 426 R CB -0.440 29.557 30.300 -0.504 0.000 0.862 426 R HN 0.137 nan 8.270 nan 0.000 0.436 427 V N 1.960 122.031 119.914 0.261 0.000 2.343 427 V HA -0.275 3.845 4.120 -0.000 0.000 0.247 427 V C 1.691 177.859 176.094 0.124 0.000 1.051 427 V CA 1.817 64.272 62.300 0.258 0.000 1.036 427 V CB -0.498 31.437 31.823 0.186 0.000 0.654 427 V HN 0.354 nan 8.190 nan 0.000 0.451 428 N N 0.536 119.285 118.700 0.083 0.000 2.142 428 N HA -0.096 4.644 4.740 -0.000 0.000 0.186 428 N C 1.888 177.418 175.510 0.033 0.000 1.023 428 N CA 1.641 54.720 53.050 0.048 0.000 0.852 428 N CB -0.549 37.959 38.487 0.035 0.000 0.998 428 N HN 0.485 nan 8.380 nan 0.000 0.424 429 A N 1.080 123.912 122.820 0.021 0.000 1.933 429 A HA -0.044 4.276 4.320 -0.000 0.000 0.218 429 A C 2.365 179.956 177.584 0.011 0.000 1.175 429 A CA 0.901 52.939 52.037 0.003 0.000 0.628 429 A CB -0.641 18.345 19.000 -0.024 0.000 0.814 429 A HN 0.209 nan 8.150 nan 0.000 0.444 430 L N -0.949 120.293 121.223 0.032 0.000 2.109 430 L HA -0.150 4.190 4.340 -0.000 0.000 0.207 430 L C 2.567 179.462 176.870 0.042 0.000 1.086 430 L CA 1.435 56.302 54.840 0.045 0.000 0.760 430 L CB -0.360 41.754 42.059 0.092 0.000 0.910 430 L HN 0.332 nan 8.230 nan 0.000 0.437 431 K N -0.189 120.238 120.400 0.045 0.000 2.026 431 K HA -0.163 4.157 4.320 -0.000 0.000 0.208 431 K C 2.004 178.618 176.600 0.023 0.000 1.048 431 K CA 1.115 57.423 56.287 0.034 0.000 0.929 431 K CB -0.103 32.416 32.500 0.033 0.000 0.713 431 K HN 0.238 nan 8.250 nan 0.000 0.439 432 E N 0.969 121.181 120.200 0.020 0.000 2.171 432 E HA -0.250 4.100 4.350 -0.000 0.000 0.197 432 E C 1.981 178.587 176.600 0.010 0.000 0.997 432 E CA 1.597 58.005 56.400 0.013 0.000 0.810 432 E CB -0.022 29.684 29.700 0.009 0.000 0.738 432 E HN 0.584 nan 8.360 nan 0.000 0.467 433 Q N -0.590 119.216 119.800 0.011 0.000 2.384 433 Q HA 0.389 4.729 4.340 -0.000 0.000 0.207 433 Q C 0.655 176.662 176.000 0.011 0.000 0.904 433 Q CA 0.418 56.226 55.803 0.008 0.000 0.933 433 Q CB 0.727 29.468 28.738 0.006 0.000 1.077 433 Q HN 0.057 nan 8.270 nan 0.000 0.522 434 A N 0.000 122.829 122.820 0.016 0.000 2.254 434 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 434 A CA 0.000 52.047 52.037 0.017 0.000 0.836 434 A CB 0.000 19.012 19.000 0.020 0.000 0.831 434 A HN 0.000 nan 8.150 nan 0.000 0.486