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 1s09_1_B DATA FIRST_RESID 1 DATA SEQUENCE MTTDDLAFDQ RHILHPYTSM TSPLPVYPVV SAEGCELILS DGRRLVDGMS DATA SEQUENCE SWWAAIHGYN HPQLNAAMKS QIDAMSHVMF GGITHAPAIE LCRKLVAMTP DATA SEQUENCE QPLECVFLAD SGSVAVEVAM KMALQYWQAK GEARQRFLTF RNGFHGDTFG DATA SEQUENCE AMSVCDPDNS MHSLWKGYLP ENLFAPAPQS RMDGEWDERD MVGFARLMAA DATA SEQUENCE HRHEIAAVII EPIVQGAGGM RMYHPEWLKR IRKICDREGI LLIADEIATG DATA SEQUENCE FGRTGKLFAC EHAEIAPDIL CLGXALTGGT MTLSATLTTR EVAETISNGE DATA SEQUENCE AGCFMHGPTF MGNPLACAAA NASLAILESG DWQQQVADIE VQLREQLAPA DATA SEQUENCE RDAEMVADVR VLGAIGVVET THPVNMAALQ KFFVEQGVWI RPFGKLIYLM DATA SEQUENCE PPYIILPQQL QRLTAAVNRA VQDETFFC 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.292 176.300 -0.014 0.000 1.140 1 M CA 0.000 55.288 55.300 -0.019 0.000 0.988 1 M CB 0.000 32.588 32.600 -0.019 0.000 1.302 2 T N -2.318 112.230 114.554 -0.010 0.000 2.862 2 T HA 0.398 4.751 4.350 0.005 0.000 0.276 2 T C 1.253 175.955 174.700 0.004 0.000 0.974 2 T CA 0.214 62.311 62.100 -0.004 0.000 0.966 2 T CB 1.444 70.309 68.868 -0.004 0.000 1.072 2 T HN 0.804 nan 8.240 nan 0.000 0.538 3 T N -2.024 112.533 114.554 0.005 0.000 2.951 3 T HA -0.120 4.233 4.350 0.005 0.000 0.268 3 T C 1.475 176.191 174.700 0.027 0.000 1.073 3 T CA 1.652 63.757 62.100 0.009 0.000 1.134 3 T CB -0.778 68.093 68.868 0.003 0.000 0.884 3 T HN 0.712 nan 8.240 nan 0.000 0.479 4 D N 1.256 121.675 120.400 0.032 0.000 2.144 4 D HA -0.109 4.534 4.640 0.005 0.000 0.199 4 D C 1.753 178.107 176.300 0.090 0.000 0.984 4 D CA 1.133 55.167 54.000 0.057 0.000 0.834 4 D CB -0.361 40.465 40.800 0.042 0.000 0.955 4 D HN 0.326 nan 8.370 nan 0.000 0.465 5 D N -0.165 120.269 120.400 0.056 0.000 2.097 5 D HA -0.124 4.519 4.640 0.005 0.000 0.195 5 D C 2.231 178.603 176.300 0.120 0.000 0.989 5 D CA 0.647 54.687 54.000 0.067 0.000 0.827 5 D CB -0.269 40.542 40.800 0.017 0.000 0.966 5 D HN 0.325 nan 8.370 nan 0.000 0.456 6 L N 0.490 121.756 121.223 0.072 0.000 2.093 6 L HA -0.102 4.241 4.340 0.005 0.000 0.208 6 L C 2.502 179.416 176.870 0.073 0.000 1.085 6 L CA 0.952 55.824 54.840 0.054 0.000 0.755 6 L CB -0.480 41.580 42.059 0.001 0.000 0.904 6 L HN -0.021 nan 8.230 nan 0.000 0.435 7 A N -0.053 122.819 122.820 0.086 0.000 1.898 7 A HA -0.247 4.076 4.320 0.005 0.000 0.216 7 A C 2.167 179.829 177.584 0.131 0.000 1.181 7 A CA 1.259 53.343 52.037 0.080 0.000 0.620 7 A CB -0.732 18.314 19.000 0.076 0.000 0.819 7 A HN 0.367 nan 8.150 nan 0.000 0.442 8 F N 1.172 121.174 119.950 0.086 0.000 2.102 8 F HA -0.201 4.328 4.527 0.003 0.000 0.298 8 F C 2.137 178.045 175.800 0.180 0.000 1.105 8 F CA 2.162 60.268 58.000 0.176 0.000 1.239 8 F CB -0.130 38.932 39.000 0.103 0.000 0.991 8 F HN 0.433 nan 8.300 nan 0.000 0.474 9 D N -0.166 120.430 120.400 0.327 0.000 2.104 9 D HA -0.295 4.349 4.640 0.005 0.000 0.194 9 D C 2.089 178.452 176.300 0.105 0.000 0.994 9 D CA 1.721 55.865 54.000 0.241 0.000 0.830 9 D CB -0.354 40.579 40.800 0.220 0.000 0.959 9 D HN 0.511 nan 8.370 nan 0.000 0.452 10 Q N -0.162 119.659 119.800 0.036 0.000 2.084 10 Q HA -0.190 4.153 4.340 0.005 0.000 0.202 10 Q C 2.296 178.236 176.000 -0.100 0.000 0.978 10 Q CA 1.288 57.074 55.803 -0.027 0.000 0.844 10 Q CB 0.053 28.765 28.738 -0.042 0.000 0.898 10 Q HN 0.017 nan 8.270 nan 0.000 0.426 11 R N -1.062 119.320 120.500 -0.196 0.000 2.119 11 R HA -0.054 4.289 4.340 0.005 0.000 0.222 11 R C 1.213 177.115 176.300 -0.663 0.000 1.088 11 R CA 1.601 57.438 56.100 -0.437 0.000 0.984 11 R CB 0.160 30.119 30.300 -0.568 0.000 0.884 11 R HN 0.411 nan 8.270 nan 0.000 0.447 12 H N -1.945 116.923 119.070 -0.337 0.000 3.241 12 H HA 0.295 4.855 4.556 0.006 0.000 0.260 12 H C -0.172 175.072 175.328 -0.140 0.000 1.084 12 H CA -0.034 55.810 56.048 -0.341 0.000 1.203 12 H CB 1.120 30.411 29.762 -0.785 0.000 1.524 12 H HN 0.046 nan 8.280 nan 0.000 0.521 13 I N 2.625 123.225 120.570 0.051 0.000 2.354 13 I HA 0.115 4.288 4.170 0.005 0.000 0.286 13 I C -0.531 175.650 176.117 0.107 0.000 1.007 13 I CA -0.798 60.556 61.300 0.089 0.000 1.167 13 I CB 1.682 39.767 38.000 0.141 0.000 1.320 13 I HN -0.204 nan 8.210 nan 0.000 0.458 14 L N 7.082 128.328 121.223 0.039 0.000 2.439 14 L HA 0.228 4.571 4.340 0.005 0.000 0.269 14 L C 0.400 177.268 176.870 -0.003 0.000 1.179 14 L CA 0.632 55.506 54.840 0.056 0.000 0.828 14 L CB -0.079 41.987 42.059 0.012 0.000 1.106 14 L HN 0.480 nan 8.230 nan 0.000 0.467 15 H N 1.348 120.445 119.070 0.046 0.000 2.797 15 H HA 0.403 4.963 4.556 0.006 0.000 0.362 15 H C -2.103 173.277 175.328 0.087 0.000 1.183 15 H CA -1.883 54.215 56.048 0.083 0.000 1.197 15 H CB 1.465 31.288 29.762 0.101 0.000 1.835 15 H HN 0.364 nan 8.280 nan 0.000 0.567 16 P HA -0.035 nan 4.420 nan 0.000 0.262 16 P C -0.826 176.630 177.300 0.259 0.000 1.199 16 P CA 0.359 63.594 63.100 0.226 0.000 0.763 16 P CB -0.444 31.483 31.700 0.378 0.000 0.790 17 Y N -0.209 120.126 120.300 0.057 0.000 2.980 17 Y HA -0.227 4.327 4.550 0.007 0.000 0.199 17 Y C 0.789 176.717 175.900 0.047 0.000 1.319 17 Y CA 1.217 59.336 58.100 0.032 0.000 0.877 17 Y CB -2.100 36.332 38.460 -0.048 0.000 1.259 17 Y HN 0.392 nan 8.280 nan 0.000 0.437 18 T N -0.644 114.006 114.554 0.159 0.000 2.932 18 T HA 0.506 4.859 4.350 0.005 0.000 0.318 18 T C -0.489 174.268 174.700 0.094 0.000 1.265 18 T CA -0.166 62.015 62.100 0.135 0.000 1.036 18 T CB 1.557 70.508 68.868 0.139 0.000 1.209 18 T HN 0.306 nan 8.240 nan 0.000 0.484 19 S N 3.171 118.917 115.700 0.076 0.000 2.560 19 S HA 0.223 4.696 4.470 0.005 0.000 0.284 19 S C 1.323 175.943 174.600 0.034 0.000 1.327 19 S CA -0.478 57.752 58.200 0.050 0.000 1.055 19 S CB 0.287 63.511 63.200 0.041 0.000 0.868 19 S HN 0.665 nan 8.310 nan 0.000 0.506 20 M N 3.406 123.017 119.600 0.019 0.000 2.510 20 M HA 0.045 4.529 4.480 0.005 0.000 0.256 20 M C 1.845 178.133 176.300 -0.021 0.000 1.132 20 M CA 0.858 56.157 55.300 -0.001 0.000 1.105 20 M CB -1.182 31.413 32.600 -0.009 0.000 1.375 20 M HN 0.905 nan 8.290 nan 0.000 0.477 21 T N -4.066 110.482 114.554 -0.011 0.000 3.023 21 T HA 0.092 4.445 4.350 0.005 0.000 0.249 21 T C 1.196 175.888 174.700 -0.013 0.000 1.050 21 T CA 0.508 62.597 62.100 -0.018 0.000 1.088 21 T CB 0.027 68.888 68.868 -0.011 0.000 0.946 21 T HN 0.206 nan 8.240 nan 0.000 0.480 22 S N 2.863 118.563 115.700 -0.001 0.000 2.474 22 S HA 0.434 4.907 4.470 0.005 0.000 0.224 22 S C -2.952 171.653 174.600 0.007 0.000 1.209 22 S CA -1.185 57.017 58.200 0.003 0.000 1.212 22 S CB 0.024 63.231 63.200 0.012 0.000 1.137 22 S HN 0.189 nan 8.310 nan 0.000 0.446 23 P HA 0.319 nan 4.420 nan 0.000 0.275 23 P C -0.345 176.948 177.300 -0.012 0.000 1.228 23 P CA -0.423 62.675 63.100 -0.005 0.000 0.786 23 P CB 0.751 32.438 31.700 -0.022 0.000 0.927 24 L N 3.384 124.604 121.223 -0.005 0.000 2.416 24 L HA 0.444 4.787 4.340 0.005 0.000 0.262 24 L C -1.827 175.014 176.870 -0.049 0.000 1.093 24 L CA -2.246 52.590 54.840 -0.006 0.000 0.801 24 L CB -0.046 42.032 42.059 0.032 0.000 1.191 24 L HN 0.224 nan 8.230 nan 0.000 0.459 25 P HA 0.052 nan 4.420 nan 0.000 0.266 25 P C -1.084 176.095 177.300 -0.202 0.000 1.195 25 P CA -0.145 62.848 63.100 -0.179 0.000 0.768 25 P CB 0.517 32.073 31.700 -0.240 0.000 0.838 26 V N 0.623 120.368 119.914 -0.282 0.000 2.628 26 V HA 0.511 4.634 4.120 0.005 0.000 0.306 26 V C -1.075 174.816 176.094 -0.338 0.000 1.045 26 V CA -1.007 61.169 62.300 -0.206 0.000 0.905 26 V CB 1.375 33.045 31.823 -0.255 0.000 0.997 26 V HN 0.277 nan 8.190 nan 0.000 0.436 27 Y N 4.099 124.371 120.300 -0.047 0.000 2.326 27 Y HA 0.602 5.155 4.550 0.006 0.000 0.337 27 Y C -1.877 173.939 175.900 -0.140 0.000 1.023 27 Y CA -2.261 55.789 58.100 -0.083 0.000 1.143 27 Y CB 1.250 39.661 38.460 -0.082 0.000 1.183 27 Y HN 0.542 nan 8.280 nan 0.000 0.485 28 P HA 0.154 nan 4.420 nan 0.000 0.281 28 P C -0.866 176.392 177.300 -0.070 0.000 1.286 28 P CA -0.059 63.017 63.100 -0.040 0.000 0.772 28 P CB 1.081 32.762 31.700 -0.031 0.000 0.862 29 V N 4.609 124.453 119.914 -0.117 0.000 2.427 29 V HA 0.114 4.237 4.120 0.005 0.000 0.286 29 V C 1.606 177.629 176.094 -0.118 0.000 1.034 29 V CA -0.296 61.908 62.300 -0.160 0.000 0.893 29 V CB 1.695 33.366 31.823 -0.253 0.000 0.982 29 V HN 0.480 nan 8.190 nan 0.000 0.452 30 V N 1.500 121.349 119.914 -0.109 0.000 3.263 30 V HA 0.393 4.516 4.120 0.005 0.000 0.248 30 V C 0.625 176.667 176.094 -0.087 0.000 1.145 30 V CA 0.971 63.221 62.300 -0.082 0.000 1.107 30 V CB 0.311 32.096 31.823 -0.063 0.000 0.797 30 V HN 0.894 nan 8.190 nan 0.000 0.467 31 S N -0.905 114.727 115.700 -0.113 0.000 2.636 31 S HA 0.884 5.357 4.470 0.005 0.000 0.268 31 S C -0.878 173.623 174.600 -0.164 0.000 1.159 31 S CA -0.135 58.000 58.200 -0.108 0.000 0.815 31 S CB 1.457 64.614 63.200 -0.072 0.000 1.130 31 S HN 1.855 nan 8.310 nan 0.000 0.471 32 A N 0.574 123.308 122.820 -0.144 0.000 2.574 32 A HA 0.874 5.197 4.320 0.005 0.000 0.297 32 A C -1.237 176.323 177.584 -0.040 0.000 1.062 32 A CA -0.495 51.415 52.037 -0.211 0.000 0.686 32 A CB 1.484 20.179 19.000 -0.507 0.000 1.285 32 A HN 1.316 nan 8.150 nan 0.000 0.403 33 E N 1.023 121.221 120.200 -0.003 0.000 2.375 33 E HA 0.600 4.953 4.350 0.005 0.000 0.280 33 E C 0.447 177.106 176.600 0.097 0.000 0.972 33 E CA -0.585 55.855 56.400 0.068 0.000 0.782 33 E CB 1.128 30.837 29.700 0.016 0.000 1.229 33 E HN 2.257 nan 8.360 nan 0.000 0.439 34 G N 1.309 110.176 108.800 0.111 0.000 2.622 34 G HA2 -0.419 3.545 3.960 0.005 0.000 0.307 34 G HA3 -0.419 3.545 3.960 0.005 0.000 0.307 34 G C 0.653 175.661 174.900 0.181 0.000 1.226 34 G CA 0.381 45.543 45.100 0.103 0.000 0.997 34 G HN 0.946 nan 8.290 nan 0.000 0.551 35 C N 2.448 121.828 119.300 0.134 0.000 2.589 35 C HA 0.597 5.060 4.460 0.005 0.000 0.307 35 C C 0.528 175.582 174.990 0.105 0.000 1.328 35 C CA 0.050 59.163 59.018 0.159 0.000 1.742 35 C CB -2.058 25.741 27.740 0.098 0.000 2.037 35 C HN 0.426 nan 8.230 nan 0.000 0.592 36 E N 0.467 120.696 120.200 0.048 0.000 2.238 36 E HA 0.517 4.871 4.350 0.005 0.000 0.267 36 E C -1.122 175.350 176.600 -0.214 0.000 0.887 36 E CA -0.460 55.902 56.400 -0.063 0.000 0.769 36 E CB 1.799 31.470 29.700 -0.049 0.000 1.187 36 E HN 0.303 nan 8.360 nan 0.000 0.416 37 L N 3.086 124.154 121.223 -0.260 0.000 2.309 37 L HA 0.535 4.878 4.340 0.005 0.000 0.282 37 L C -0.393 176.339 176.870 -0.231 0.000 1.036 37 L CA -0.783 53.843 54.840 -0.356 0.000 0.806 37 L CB 0.925 42.716 42.059 -0.446 0.000 1.220 37 L HN 0.413 nan 8.230 nan 0.000 0.429 38 I N 3.914 124.357 120.570 -0.211 0.000 2.355 38 I HA 0.309 4.482 4.170 0.005 0.000 0.288 38 I C 0.011 176.047 176.117 -0.135 0.000 0.999 38 I CA -0.354 60.861 61.300 -0.141 0.000 1.163 38 I CB 1.423 39.359 38.000 -0.108 0.000 1.316 38 I HN 0.383 nan 8.210 nan 0.000 0.454 39 L N 4.260 125.419 121.223 -0.107 0.000 2.453 39 L HA 0.229 4.572 4.340 0.005 0.000 0.261 39 L C 1.678 178.516 176.870 -0.054 0.000 1.179 39 L CA -0.069 54.724 54.840 -0.079 0.000 0.813 39 L CB 0.845 42.882 42.059 -0.036 0.000 1.110 39 L HN 0.628 nan 8.230 nan 0.000 0.466 40 S N 0.658 116.334 115.700 -0.040 0.000 2.392 40 S HA -0.205 4.268 4.470 0.005 0.000 0.232 40 S C 1.233 175.819 174.600 -0.023 0.000 1.041 40 S CA 1.938 60.119 58.200 -0.032 0.000 1.026 40 S CB -0.338 62.848 63.200 -0.024 0.000 0.845 40 S HN 0.915 nan 8.310 nan 0.000 0.465 41 D N -0.703 119.689 120.400 -0.013 0.000 2.349 41 D HA 0.209 4.852 4.640 0.005 0.000 0.224 41 D C 1.215 177.506 176.300 -0.014 0.000 1.029 41 D CA 0.921 54.916 54.000 -0.009 0.000 0.879 41 D CB -0.458 40.345 40.800 0.004 0.000 0.906 41 D HN 0.434 nan 8.370 nan 0.000 0.528 42 G N -0.054 108.731 108.800 -0.024 0.000 2.238 42 G HA2 -0.282 3.681 3.960 0.005 0.000 0.217 42 G HA3 -0.282 3.681 3.960 0.005 0.000 0.217 42 G C 0.311 175.192 174.900 -0.032 0.000 0.996 42 G CA -0.254 44.829 45.100 -0.028 0.000 0.632 42 G HN 0.408 nan 8.290 nan 0.000 0.503 43 R N 1.058 121.541 120.500 -0.029 0.000 2.522 43 R HA 0.400 4.743 4.340 0.005 0.000 0.284 43 R C 0.415 176.683 176.300 -0.053 0.000 1.032 43 R CA 0.225 56.305 56.100 -0.034 0.000 1.049 43 R CB 0.306 30.591 30.300 -0.025 0.000 0.956 43 R HN 0.322 nan 8.270 nan 0.000 0.422 44 R N 3.625 124.093 120.500 -0.052 0.000 2.346 44 R HA 0.394 4.737 4.340 0.005 0.000 0.311 44 R C -0.570 175.692 176.300 -0.063 0.000 0.983 44 R CA -0.583 55.479 56.100 -0.063 0.000 0.880 44 R CB 1.074 31.344 30.300 -0.051 0.000 1.100 44 R HN 0.339 nan 8.270 nan 0.000 0.453 45 L N 2.723 123.900 121.223 -0.077 0.000 2.362 45 L HA 0.443 4.786 4.340 0.005 0.000 0.275 45 L C -0.224 176.619 176.870 -0.044 0.000 0.998 45 L CA -1.341 53.466 54.840 -0.055 0.000 0.820 45 L CB 2.129 44.167 42.059 -0.035 0.000 1.270 45 L HN 0.284 nan 8.230 nan 0.000 0.415 46 V N 1.380 121.276 119.914 -0.029 0.000 2.479 46 V HA -0.020 4.103 4.120 0.005 0.000 0.281 46 V C 0.080 176.176 176.094 0.004 0.000 1.031 46 V CA 0.004 62.295 62.300 -0.016 0.000 1.038 46 V CB 1.021 32.829 31.823 -0.025 0.000 0.981 46 V HN 0.678 nan 8.190 nan 0.000 0.478 47 D N 4.321 124.741 120.400 0.034 0.000 2.325 47 D HA 0.319 4.962 4.640 0.005 0.000 0.251 47 D C 1.021 177.344 176.300 0.038 0.000 1.196 47 D CA 0.334 54.383 54.000 0.082 0.000 0.866 47 D CB 1.512 42.404 40.800 0.152 0.000 1.101 47 D HN 0.577 nan 8.370 nan 0.000 0.476 48 G N 3.172 111.950 108.800 -0.037 0.000 3.088 48 G HA2 -0.018 3.945 3.960 0.005 0.000 0.217 48 G HA3 -0.018 3.945 3.960 0.005 0.000 0.217 48 G C 0.910 175.727 174.900 -0.139 0.000 1.159 48 G CA -0.023 45.003 45.100 -0.124 0.000 0.760 48 G HN 0.440 nan 8.290 nan 0.000 0.550 49 M N -0.213 119.345 119.600 -0.070 0.000 2.379 49 M HA 0.265 4.748 4.480 0.005 0.000 0.265 49 M C 1.359 177.649 176.300 -0.017 0.000 1.095 49 M CA -0.062 55.177 55.300 -0.101 0.000 1.075 49 M CB -0.162 32.365 32.600 -0.123 0.000 1.443 49 M HN 0.088 nan 8.290 nan 0.000 0.519 50 S N 1.242 116.972 115.700 0.050 0.000 3.587 50 S HA -0.154 4.319 4.470 0.005 0.000 0.337 50 S C 0.496 175.149 174.600 0.089 0.000 1.119 50 S CA 0.711 58.934 58.200 0.039 0.000 0.976 50 S CB -1.803 61.388 63.200 -0.014 0.000 0.922 50 S HN 0.565 nan 8.310 nan 0.000 0.503 51 S N -0.687 115.082 115.700 0.114 0.000 3.631 51 S HA -0.198 4.275 4.470 0.005 0.000 0.366 51 S C 0.047 174.759 174.600 0.186 0.000 0.993 51 S CA 0.982 59.213 58.200 0.053 0.000 1.167 51 S CB -1.499 61.785 63.200 0.140 0.000 0.909 51 S HN 0.963 nan 8.310 nan 0.000 0.478 52 W N -1.627 119.750 121.300 0.129 0.000 4.611 52 W HA -0.225 4.438 4.660 0.004 0.000 0.433 52 W C 0.523 177.235 176.519 0.321 0.000 1.733 52 W CA 0.558 57.994 57.345 0.151 0.000 0.794 52 W CB -2.657 26.959 29.460 0.261 0.000 2.924 52 W HN 0.846 nan 8.180 nan 0.000 1.035 53 W N -2.900 118.566 121.300 0.276 0.000 0.780 53 W HA -0.414 4.249 4.660 0.005 0.000 0.218 53 W C 1.957 178.505 176.519 0.049 0.000 0.923 53 W CA 3.006 60.449 57.345 0.163 0.000 0.346 53 W CB -2.272 27.292 29.460 0.173 0.000 1.917 53 W HN 0.392 nan 8.180 nan 0.000 1.347 54 A N 0.528 123.525 122.820 0.294 0.000 1.902 54 A HA 0.285 4.608 4.320 0.005 0.000 0.217 54 A C 1.668 179.198 177.584 -0.090 0.000 1.181 54 A CA 2.118 54.219 52.037 0.108 0.000 0.623 54 A CB -1.040 18.039 19.000 0.132 0.000 0.818 54 A HN 0.912 nan 8.150 nan 0.000 0.443 55 A N 0.593 123.325 122.820 -0.146 0.000 3.077 55 A HA 0.442 4.765 4.320 0.005 0.000 0.255 55 A C 1.200 178.530 177.584 -0.424 0.000 1.728 55 A CA 0.144 51.970 52.037 -0.352 0.000 1.383 55 A CB -1.256 17.385 19.000 -0.599 0.000 1.097 55 A HN 0.777 nan 8.150 nan 0.000 0.634 56 I N -2.728 117.502 120.570 -0.568 0.000 2.614 56 I HA -0.124 4.049 4.170 0.005 0.000 0.258 56 I C 1.041 176.671 176.117 -0.813 0.000 1.189 56 I CA 1.142 61.879 61.300 -0.938 0.000 1.462 56 I CB -0.385 36.796 38.000 -1.364 0.000 1.092 56 I HN 0.477 nan 8.210 nan 0.000 0.442 57 H N 1.606 120.482 119.070 -0.322 0.000 2.520 57 H HA 0.443 5.002 4.556 0.005 0.000 0.284 57 H C 1.399 176.680 175.328 -0.079 0.000 1.037 57 H CA 0.347 56.300 56.048 -0.159 0.000 1.168 57 H CB -0.050 29.550 29.762 -0.270 0.000 1.497 57 H HN 0.538 nan 8.280 nan 0.000 0.547 58 G N 0.860 109.553 108.800 -0.178 0.000 2.553 58 G HA2 -0.277 3.686 3.960 0.005 0.000 0.242 58 G HA3 -0.277 3.686 3.960 0.005 0.000 0.242 58 G C -0.998 173.615 174.900 -0.479 0.000 1.277 58 G CA -0.319 44.626 45.100 -0.259 0.000 0.910 58 G HN 0.335 nan 8.290 nan 0.000 0.576 59 Y N 0.107 120.437 120.300 0.049 0.000 2.524 59 Y HA 0.654 5.207 4.550 0.005 0.000 0.344 59 Y C 1.117 177.040 175.900 0.040 0.000 1.012 59 Y CA -0.327 57.791 58.100 0.030 0.000 1.068 59 Y CB 1.567 40.020 38.460 -0.011 0.000 1.249 59 Y HN 0.705 nan 8.280 nan 0.000 0.468 60 N N 1.778 120.586 118.700 0.180 0.000 2.699 60 N HA -0.266 4.477 4.740 0.005 0.000 0.256 60 N C -0.768 174.792 175.510 0.084 0.000 0.993 60 N CA 0.523 53.635 53.050 0.104 0.000 0.759 60 N CB -0.897 37.633 38.487 0.071 0.000 0.906 60 N HN 0.702 nan 8.380 nan 0.000 0.541 61 H N 1.027 120.107 119.070 0.015 0.000 2.767 61 H HA 0.114 4.673 4.556 0.005 0.000 0.316 61 H C -1.306 174.013 175.328 -0.015 0.000 1.059 61 H CA -1.106 54.940 56.048 -0.003 0.000 1.461 61 H CB 1.302 31.053 29.762 -0.019 0.000 1.475 61 H HN 0.135 nan 8.280 nan 0.000 0.531 62 P HA -0.177 nan 4.420 nan 0.000 0.216 62 P C 1.125 178.488 177.300 0.104 0.000 1.153 62 P CA 1.383 64.474 63.100 -0.015 0.000 0.858 62 P CB 0.392 32.030 31.700 -0.103 0.000 0.789 63 Q N -0.694 119.271 119.800 0.275 0.000 2.079 63 Q HA -0.055 4.289 4.340 0.005 0.000 0.200 63 Q C 2.471 178.509 176.000 0.064 0.000 0.974 63 Q CA 1.063 56.955 55.803 0.148 0.000 0.840 63 Q CB -0.521 28.289 28.738 0.119 0.000 0.898 63 Q HN 0.273 nan 8.270 nan 0.000 0.430 64 L N 0.604 121.870 121.223 0.071 0.000 2.027 64 L HA -0.189 4.154 4.340 0.005 0.000 0.206 64 L C 1.958 178.841 176.870 0.021 0.000 1.074 64 L CA 0.781 55.617 54.840 -0.006 0.000 0.745 64 L CB -0.589 41.455 42.059 -0.025 0.000 0.898 64 L HN 0.231 nan 8.230 nan 0.000 0.433 65 N N 0.612 119.342 118.700 0.050 0.000 2.069 65 N HA -0.183 4.560 4.740 0.005 0.000 0.191 65 N C 1.884 177.404 175.510 0.018 0.000 1.031 65 N CA 1.742 54.811 53.050 0.031 0.000 0.852 65 N CB -0.455 38.052 38.487 0.033 0.000 1.018 65 N HN 0.328 nan 8.380 nan 0.000 0.423 66 A N 0.729 123.561 122.820 0.021 0.000 1.877 66 A HA 0.011 4.334 4.320 0.005 0.000 0.216 66 A C 2.339 179.926 177.584 0.006 0.000 1.186 66 A CA 2.099 54.143 52.037 0.012 0.000 0.620 66 A CB -0.990 18.018 19.000 0.014 0.000 0.822 66 A HN 0.333 nan 8.150 nan 0.000 0.443 67 A N -0.712 122.109 122.820 0.002 0.000 1.902 67 A HA -0.107 4.216 4.320 0.005 0.000 0.217 67 A C 2.271 179.852 177.584 -0.006 0.000 1.181 67 A CA 1.822 53.856 52.037 -0.005 0.000 0.623 67 A CB -0.522 18.469 19.000 -0.015 0.000 0.818 67 A HN 0.540 nan 8.150 nan 0.000 0.443 68 M N -0.789 118.807 119.600 -0.005 0.000 2.099 68 M HA -0.144 4.339 4.480 0.005 0.000 0.262 68 M C 2.145 178.443 176.300 -0.004 0.000 1.067 68 M CA 1.671 56.967 55.300 -0.006 0.000 1.124 68 M CB -0.310 32.288 32.600 -0.005 0.000 1.353 68 M HN 0.309 nan 8.290 nan 0.000 0.410 69 K N -0.364 120.036 120.400 -0.001 0.000 2.097 69 K HA -0.066 4.257 4.320 0.005 0.000 0.205 69 K C 2.124 178.723 176.600 -0.002 0.000 1.050 69 K CA 1.446 57.732 56.287 -0.001 0.000 0.938 69 K CB -0.161 32.340 32.500 0.001 0.000 0.718 69 K HN 0.185 nan 8.250 nan 0.000 0.442 70 S N 1.095 116.794 115.700 -0.001 0.000 2.368 70 S HA -0.180 4.293 4.470 0.005 0.000 0.225 70 S C 1.954 176.552 174.600 -0.004 0.000 1.030 70 S CA 1.251 59.450 58.200 -0.001 0.000 0.999 70 S CB -0.144 63.056 63.200 0.000 0.000 0.844 70 S HN 0.241 nan 8.310 nan 0.000 0.459 71 Q N 1.317 121.113 119.800 -0.007 0.000 2.119 71 Q HA 0.080 4.423 4.340 0.005 0.000 0.201 71 Q C 1.815 177.807 176.000 -0.013 0.000 0.972 71 Q CA 1.321 57.116 55.803 -0.013 0.000 0.847 71 Q CB -0.517 28.211 28.738 -0.017 0.000 0.903 71 Q HN 0.575 nan 8.270 nan 0.000 0.433 72 I N 0.643 121.209 120.570 -0.007 0.000 2.208 72 I HA -0.291 3.883 4.170 0.005 0.000 0.245 72 I C 1.400 177.515 176.117 -0.003 0.000 1.097 72 I CA 1.395 62.693 61.300 -0.003 0.000 1.363 72 I CB -0.304 37.695 38.000 -0.001 0.000 1.051 72 I HN 0.191 nan 8.210 nan 0.000 0.413 73 D N 0.834 121.232 120.400 -0.003 0.000 2.178 73 D HA -0.131 4.512 4.640 0.005 0.000 0.201 73 D C 2.116 178.413 176.300 -0.004 0.000 0.980 73 D CA 1.473 55.471 54.000 -0.002 0.000 0.842 73 D CB -0.043 40.756 40.800 -0.002 0.000 0.948 73 D HN 0.401 nan 8.370 nan 0.000 0.472 74 A N 0.292 123.107 122.820 -0.008 0.000 1.844 74 A HA 0.236 4.560 4.320 0.005 0.000 0.212 74 A C 1.009 178.583 177.584 -0.018 0.000 1.221 74 A CA 1.072 53.102 52.037 -0.012 0.000 0.607 74 A CB 0.014 19.006 19.000 -0.014 0.000 0.878 74 A HN 0.313 nan 8.150 nan 0.000 0.451 75 M N -3.522 116.061 119.600 -0.028 0.000 2.363 75 M HA 0.339 4.823 4.480 0.005 0.000 0.256 75 M C -0.061 176.222 176.300 -0.028 0.000 1.005 75 M CA -0.070 55.212 55.300 -0.030 0.000 0.890 75 M CB 1.216 33.783 32.600 -0.055 0.000 2.101 75 M HN -0.079 nan 8.290 nan 0.000 0.476 76 S N 0.466 116.174 115.700 0.013 0.000 2.368 76 S HA -0.031 4.442 4.470 0.005 0.000 0.224 76 S C 0.135 174.798 174.600 0.104 0.000 1.029 76 S CA 1.767 59.993 58.200 0.042 0.000 0.988 76 S CB -0.063 63.172 63.200 0.058 0.000 0.838 76 S HN 0.861 nan 8.310 nan 0.000 0.462 77 H N -1.458 117.611 119.070 -0.002 0.000 3.046 77 H HA 0.665 5.224 4.556 0.005 0.000 0.363 77 H C -1.468 173.864 175.328 0.006 0.000 1.203 77 H CA -0.374 55.687 56.048 0.023 0.000 1.169 77 H CB 1.725 31.580 29.762 0.155 0.000 1.851 77 H HN 0.020 nan 8.280 nan 0.000 0.546 78 V N 5.536 124.929 119.914 -0.868 0.000 3.120 78 V HA 0.374 4.497 4.120 0.005 0.000 0.303 78 V C -0.420 175.273 176.094 -0.669 0.000 1.238 78 V CA -0.879 61.087 62.300 -0.558 0.000 1.008 78 V CB 1.944 33.644 31.823 -0.206 0.000 1.064 78 V HN 1.025 nan 8.190 nan 0.000 0.434 79 M N 3.456 122.887 119.600 -0.281 0.000 2.240 79 M HA 0.351 4.834 4.480 0.005 0.000 0.317 79 M C -0.208 176.172 176.300 0.132 0.000 1.087 79 M CA 0.625 55.895 55.300 -0.051 0.000 1.176 79 M CB 0.164 32.762 32.600 -0.004 0.000 1.439 79 M HN 0.599 nan 8.290 nan 0.000 0.452 80 F N 0.721 120.661 119.950 -0.016 0.000 2.695 80 F HA 0.425 4.955 4.527 0.005 0.000 0.303 80 F C 1.019 176.801 175.800 -0.031 0.000 1.091 80 F CA -0.853 57.139 58.000 -0.013 0.000 1.300 80 F CB 0.141 39.136 39.000 -0.008 0.000 1.071 80 F HN 0.769 nan 8.300 nan 0.000 0.578 81 G N -0.258 108.570 108.800 0.048 0.000 2.444 81 G HA2 0.412 4.375 3.960 0.005 0.000 0.303 81 G HA3 0.412 4.375 3.960 0.005 0.000 0.303 81 G C 1.043 175.904 174.900 -0.064 0.000 1.032 81 G CA 0.167 45.252 45.100 -0.024 0.000 1.137 81 G HN 0.677 nan 8.290 nan 0.000 0.430 82 G N 1.599 110.327 108.800 -0.119 0.000 2.159 82 G HA2 -0.260 3.703 3.960 0.005 0.000 0.256 82 G HA3 -0.260 3.703 3.960 0.005 0.000 0.256 82 G C 0.221 175.051 174.900 -0.117 0.000 0.977 82 G CA 0.478 45.515 45.100 -0.106 0.000 0.652 82 G HN 0.773 nan 8.290 nan 0.000 0.531 83 I N -0.190 120.283 120.570 -0.161 0.000 2.647 83 I HA 0.665 4.838 4.170 0.005 0.000 0.295 83 I C 0.017 175.988 176.117 -0.243 0.000 1.078 83 I CA -0.691 60.539 61.300 -0.116 0.000 1.048 83 I CB 2.582 40.579 38.000 -0.005 0.000 1.239 83 I HN 0.112 nan 8.210 nan 0.000 0.421 84 T N 2.953 117.416 114.554 -0.152 0.000 2.887 84 T HA 0.751 5.104 4.350 0.005 0.000 0.292 84 T C -1.526 173.185 174.700 0.018 0.000 1.087 84 T CA -0.437 61.547 62.100 -0.194 0.000 1.009 84 T CB 1.269 69.986 68.868 -0.252 0.000 1.203 84 T HN 0.813 nan 8.240 nan 0.000 0.518 85 H N -1.006 118.149 119.070 0.143 0.000 3.014 85 H HA 0.776 5.335 4.556 0.005 0.000 0.337 85 H C 0.768 176.146 175.328 0.084 0.000 1.320 85 H CA -0.357 55.748 56.048 0.094 0.000 1.128 85 H CB 0.755 30.570 29.762 0.088 0.000 1.862 85 H HN 0.588 nan 8.280 nan 0.000 0.536 86 A N 0.475 123.434 122.820 0.233 0.000 1.877 86 A HA 0.008 4.331 4.320 0.005 0.000 0.216 86 A C -0.604 177.078 177.584 0.163 0.000 1.186 86 A CA 1.855 53.977 52.037 0.143 0.000 0.620 86 A CB -1.820 17.237 19.000 0.095 0.000 0.822 86 A HN 0.681 nan 8.150 nan 0.000 0.443 87 P HA -0.180 nan 4.420 nan 0.000 0.215 87 P C 1.783 179.183 177.300 0.166 0.000 1.157 87 P CA 2.173 65.381 63.100 0.180 0.000 0.874 87 P CB -0.156 31.639 31.700 0.159 0.000 0.790 88 A N -0.893 122.055 122.820 0.213 0.000 1.877 88 A HA -0.183 4.141 4.320 0.005 0.000 0.216 88 A C 2.246 179.853 177.584 0.038 0.000 1.186 88 A CA 1.580 53.627 52.037 0.017 0.000 0.620 88 A CB -1.643 17.221 19.000 -0.228 0.000 0.822 88 A HN 0.111 nan 8.150 nan 0.000 0.443 89 I N -0.429 120.165 120.570 0.041 0.000 2.202 89 I HA -0.202 3.971 4.170 0.005 0.000 0.242 89 I C 2.468 178.610 176.117 0.042 0.000 1.091 89 I CA 1.211 62.534 61.300 0.038 0.000 1.368 89 I CB -0.345 37.671 38.000 0.027 0.000 1.058 89 I HN 0.281 nan 8.210 nan 0.000 0.410 90 E N 0.554 120.783 120.200 0.049 0.000 2.077 90 E HA -0.232 4.121 4.350 0.005 0.000 0.193 90 E C 2.118 178.743 176.600 0.042 0.000 0.989 90 E CA 1.150 57.576 56.400 0.043 0.000 0.800 90 E CB -0.533 29.193 29.700 0.042 0.000 0.746 90 E HN 0.321 nan 8.360 nan 0.000 0.452 91 L N 0.892 122.140 121.223 0.042 0.000 1.989 91 L HA -0.164 4.179 4.340 0.005 0.000 0.211 91 L C 2.361 179.261 176.870 0.049 0.000 1.071 91 L CA 1.764 56.627 54.840 0.039 0.000 0.749 91 L CB -0.814 41.262 42.059 0.028 0.000 0.890 91 L HN 0.088 nan 8.230 nan 0.000 0.431 92 C N -0.351 118.977 119.300 0.045 0.000 2.422 92 C HA -0.094 4.370 4.460 0.005 0.000 0.279 92 C C 2.783 177.801 174.990 0.046 0.000 1.305 92 C CA 0.637 59.683 59.018 0.047 0.000 1.757 92 C CB -1.143 26.624 27.740 0.045 0.000 1.962 92 C HN 0.503 nan 8.230 nan 0.000 0.499 93 R N 1.015 121.541 120.500 0.043 0.000 2.073 93 R HA -0.134 4.209 4.340 0.005 0.000 0.234 93 R C 2.284 178.616 176.300 0.054 0.000 1.134 93 R CA 1.386 57.510 56.100 0.041 0.000 0.952 93 R CB -0.242 30.080 30.300 0.037 0.000 0.850 93 R HN 0.597 nan 8.270 nan 0.000 0.433 94 K N 0.540 120.978 120.400 0.064 0.000 2.026 94 K HA -0.107 4.216 4.320 0.005 0.000 0.208 94 K C 2.192 178.862 176.600 0.117 0.000 1.048 94 K CA 1.198 57.537 56.287 0.086 0.000 0.929 94 K CB -0.179 32.370 32.500 0.081 0.000 0.713 94 K HN 0.129 nan 8.250 nan 0.000 0.439 95 L N 0.657 121.950 121.223 0.117 0.000 2.046 95 L HA -0.201 4.142 4.340 0.005 0.000 0.208 95 L C 2.386 179.296 176.870 0.068 0.000 1.077 95 L CA 0.936 55.855 54.840 0.131 0.000 0.747 95 L CB -0.509 41.619 42.059 0.114 0.000 0.896 95 L HN 0.011 nan 8.230 nan 0.000 0.432 96 V N 0.026 119.968 119.914 0.046 0.000 2.307 96 V HA -0.270 3.853 4.120 0.005 0.000 0.245 96 V C 2.724 178.835 176.094 0.028 0.000 1.045 96 V CA 1.857 64.168 62.300 0.019 0.000 1.024 96 V CB -0.784 31.049 31.823 0.016 0.000 0.651 96 V HN 0.478 nan 8.190 nan 0.000 0.449 97 A N 0.688 123.538 122.820 0.051 0.000 1.930 97 A HA -0.197 4.126 4.320 0.005 0.000 0.217 97 A C 2.234 179.869 177.584 0.084 0.000 1.175 97 A CA 2.081 54.153 52.037 0.059 0.000 0.627 97 A CB -0.459 18.578 19.000 0.062 0.000 0.815 97 A HN 0.668 nan 8.150 nan 0.000 0.443 98 M N -0.475 119.202 119.600 0.127 0.000 2.558 98 M HA 0.074 4.558 4.480 0.005 0.000 0.255 98 M C 0.586 177.018 176.300 0.219 0.000 1.113 98 M CA 1.098 56.522 55.300 0.206 0.000 1.097 98 M CB -0.716 32.064 32.600 0.300 0.000 1.426 98 M HN 0.304 nan 8.290 nan 0.000 0.488 99 T N -0.774 113.811 114.554 0.051 0.000 2.944 99 T HA 0.623 4.977 4.350 0.005 0.000 0.284 99 T C -2.721 171.941 174.700 -0.064 0.000 1.010 99 T CA -1.905 60.122 62.100 -0.123 0.000 1.025 99 T CB 0.849 69.539 68.868 -0.297 0.000 1.079 99 T HN -0.031 nan 8.240 nan 0.000 0.516 100 P HA -0.034 nan 4.420 nan 0.000 0.266 100 P C 1.129 178.401 177.300 -0.047 0.000 1.180 100 P CA 0.006 63.074 63.100 -0.052 0.000 0.765 100 P CB 0.405 32.062 31.700 -0.071 0.000 0.806 101 Q N 3.613 123.398 119.800 -0.027 0.000 2.062 101 Q HA -0.197 4.146 4.340 0.005 0.000 0.209 101 Q C -0.697 175.284 176.000 -0.033 0.000 0.996 101 Q CA 2.679 58.469 55.803 -0.022 0.000 0.859 101 Q CB -1.852 26.878 28.738 -0.013 0.000 0.920 101 Q HN 0.440 nan 8.270 nan 0.000 0.415 102 P HA -0.060 nan 4.420 nan 0.000 0.222 102 P C 0.006 177.268 177.300 -0.064 0.000 1.147 102 P CA 0.790 63.860 63.100 -0.050 0.000 0.790 102 P CB -0.150 31.517 31.700 -0.055 0.000 0.780 103 L N 1.301 122.480 121.223 -0.075 0.000 2.401 103 L HA 0.127 4.470 4.340 0.005 0.000 0.283 103 L C 1.200 178.032 176.870 -0.064 0.000 1.151 103 L CA 0.173 54.960 54.840 -0.089 0.000 0.942 103 L CB -0.346 41.638 42.059 -0.126 0.000 1.283 103 L HN 0.124 nan 8.230 nan 0.000 0.442 104 E N 0.186 120.355 120.200 -0.051 0.000 2.715 104 E HA 0.180 4.533 4.350 0.005 0.000 0.224 104 E C -0.364 176.223 176.600 -0.020 0.000 0.962 104 E CA -0.360 56.022 56.400 -0.030 0.000 1.145 104 E CB 0.539 30.225 29.700 -0.024 0.000 1.083 104 E HN 0.376 nan 8.360 nan 0.000 0.506 105 C N 1.478 120.762 119.300 -0.027 0.000 2.369 105 C HA 0.648 5.111 4.460 0.005 0.000 0.322 105 C C -0.195 174.798 174.990 0.006 0.000 1.258 105 C CA -0.697 58.316 59.018 -0.009 0.000 1.487 105 C CB 1.245 28.973 27.740 -0.019 0.000 2.165 105 C HN 0.221 nan 8.230 nan 0.000 0.483 106 V N 3.207 123.145 119.914 0.039 0.000 2.495 106 V HA 0.472 4.595 4.120 0.005 0.000 0.298 106 V C -0.702 175.465 176.094 0.122 0.000 1.031 106 V CA -0.429 61.909 62.300 0.064 0.000 0.871 106 V CB 1.614 33.466 31.823 0.049 0.000 0.988 106 V HN 0.760 nan 8.190 nan 0.000 0.432 107 F N 5.508 125.470 119.950 0.020 0.000 2.382 107 F HA 0.620 5.149 4.527 0.005 0.000 0.361 107 F C -0.215 175.624 175.800 0.064 0.000 1.109 107 F CA -0.530 57.513 58.000 0.072 0.000 1.031 107 F CB 0.806 39.844 39.000 0.063 0.000 1.234 107 F HN 0.336 nan 8.300 nan 0.000 0.445 108 L N 5.943 127.081 121.223 -0.141 0.000 2.397 108 L HA 0.701 5.044 4.340 0.005 0.000 0.271 108 L C 0.240 177.117 176.870 0.011 0.000 1.148 108 L CA -0.234 54.572 54.840 -0.057 0.000 0.825 108 L CB 0.963 42.922 42.059 -0.167 0.000 1.117 108 L HN 0.767 nan 8.230 nan 0.000 0.456 109 A N 1.575 124.473 122.820 0.130 0.000 2.535 109 A HA 0.449 4.772 4.320 0.005 0.000 0.296 109 A C -0.231 177.429 177.584 0.127 0.000 1.248 109 A CA -0.523 51.635 52.037 0.201 0.000 0.686 109 A CB 0.956 20.143 19.000 0.311 0.000 1.315 109 A HN 0.656 nan 8.150 nan 0.000 0.460 110 D N -0.089 120.395 120.400 0.140 0.000 2.216 110 D HA 0.143 4.787 4.640 0.005 0.000 0.208 110 D C 0.770 177.111 176.300 0.068 0.000 0.960 110 D CA 1.856 55.913 54.000 0.095 0.000 0.861 110 D CB 0.270 41.136 40.800 0.110 0.000 0.985 110 D HN 0.658 nan 8.370 nan 0.000 0.493 111 S N -1.961 113.786 115.700 0.078 0.000 2.625 111 S HA 0.517 4.990 4.470 0.005 0.000 0.271 111 S C 1.090 175.724 174.600 0.056 0.000 1.161 111 S CA -0.313 57.925 58.200 0.064 0.000 0.820 111 S CB 1.492 64.727 63.200 0.058 0.000 1.137 111 S HN -0.003 nan 8.310 nan 0.000 0.470 112 G N 1.309 110.140 108.800 0.050 0.000 2.446 112 G HA2 -0.117 3.846 3.960 0.005 0.000 0.217 112 G HA3 -0.117 3.846 3.960 0.005 0.000 0.217 112 G C 1.302 176.198 174.900 -0.006 0.000 1.168 112 G CA 1.203 46.320 45.100 0.028 0.000 0.771 112 G HN 0.766 nan 8.290 nan 0.000 0.551 113 S N -0.086 115.610 115.700 -0.007 0.000 2.368 113 S HA -0.110 4.363 4.470 0.005 0.000 0.225 113 S C 2.486 177.069 174.600 -0.028 0.000 1.030 113 S CA 1.176 59.351 58.200 -0.041 0.000 0.999 113 S CB -0.246 62.935 63.200 -0.031 0.000 0.844 113 S HN 0.184 nan 8.310 nan 0.000 0.459 114 V N 1.913 121.835 119.914 0.013 0.000 2.427 114 V HA -0.165 3.959 4.120 0.005 0.000 0.248 114 V C 2.608 178.688 176.094 -0.024 0.000 1.051 114 V CA 1.549 63.869 62.300 0.033 0.000 1.048 114 V CB -1.170 30.717 31.823 0.108 0.000 0.666 114 V HN 0.535 nan 8.190 nan 0.000 0.456 115 A N -0.276 122.540 122.820 -0.006 0.000 1.933 115 A HA -0.161 4.162 4.320 0.005 0.000 0.218 115 A C 2.395 179.926 177.584 -0.087 0.000 1.175 115 A CA 2.067 54.089 52.037 -0.026 0.000 0.628 115 A CB -0.600 18.406 19.000 0.010 0.000 0.814 115 A HN 0.342 nan 8.150 nan 0.000 0.444 116 V N 0.291 120.149 119.914 -0.094 0.000 2.358 116 V HA -0.202 3.922 4.120 0.005 0.000 0.246 116 V C 2.505 178.502 176.094 -0.162 0.000 1.047 116 V CA 2.005 64.221 62.300 -0.141 0.000 1.035 116 V CB -0.688 31.048 31.823 -0.146 0.000 0.658 116 V HN 0.556 nan 8.190 nan 0.000 0.452 117 E N 0.013 120.137 120.200 -0.127 0.000 2.085 117 E HA -0.193 4.160 4.350 0.005 0.000 0.194 117 E C 2.322 178.847 176.600 -0.125 0.000 0.994 117 E CA 1.460 57.799 56.400 -0.102 0.000 0.801 117 E CB -0.437 29.249 29.700 -0.023 0.000 0.743 117 E HN 0.479 nan 8.360 nan 0.000 0.453 118 V N 1.673 121.454 119.914 -0.221 0.000 2.295 118 V HA -0.271 3.852 4.120 0.005 0.000 0.246 118 V C 2.495 178.491 176.094 -0.165 0.000 1.049 118 V CA 1.865 64.001 62.300 -0.272 0.000 1.024 118 V CB -0.851 30.703 31.823 -0.449 0.000 0.648 118 V HN 0.273 nan 8.190 nan 0.000 0.447 119 A N -0.516 122.197 122.820 -0.177 0.000 1.883 119 A HA -0.277 4.046 4.320 0.005 0.000 0.217 119 A C 2.233 179.770 177.584 -0.079 0.000 1.186 119 A CA 2.452 54.392 52.037 -0.161 0.000 0.624 119 A CB -0.508 18.399 19.000 -0.155 0.000 0.822 119 A HN 0.515 nan 8.150 nan 0.000 0.444 120 M N -0.898 118.650 119.600 -0.087 0.000 2.117 120 M HA -0.164 4.319 4.480 0.005 0.000 0.262 120 M C 2.163 178.574 176.300 0.186 0.000 1.065 120 M CA 1.812 57.111 55.300 -0.003 0.000 1.114 120 M CB -0.384 32.017 32.600 -0.332 0.000 1.361 120 M HN 0.313 nan 8.290 nan 0.000 0.408 121 K N 0.149 120.626 120.400 0.129 0.000 2.057 121 K HA -0.092 4.232 4.320 0.005 0.000 0.207 121 K C 1.944 178.715 176.600 0.284 0.000 1.049 121 K CA 1.387 57.813 56.287 0.232 0.000 0.931 121 K CB -0.174 32.485 32.500 0.265 0.000 0.714 121 K HN 0.326 nan 8.250 nan 0.000 0.440 122 M N 0.270 119.932 119.600 0.102 0.000 2.080 122 M HA -0.204 4.279 4.480 0.005 0.000 0.260 122 M C 2.430 178.721 176.300 -0.015 0.000 1.068 122 M CA 1.775 56.987 55.300 -0.147 0.000 1.109 122 M CB -0.373 31.964 32.600 -0.438 0.000 1.342 122 M HN 0.235 nan 8.290 nan 0.000 0.405 123 A N 0.383 123.229 122.820 0.043 0.000 1.877 123 A HA -0.139 4.184 4.320 0.005 0.000 0.216 123 A C 2.086 179.806 177.584 0.226 0.000 1.186 123 A CA 1.456 53.553 52.037 0.100 0.000 0.620 123 A CB -0.956 18.165 19.000 0.202 0.000 0.822 123 A HN 0.457 nan 8.150 nan 0.000 0.443 124 L N -1.155 120.217 121.223 0.250 0.000 2.017 124 L HA -0.226 4.117 4.340 0.005 0.000 0.208 124 L C 2.921 179.913 176.870 0.203 0.000 1.073 124 L CA 1.602 56.583 54.840 0.235 0.000 0.745 124 L CB -0.571 41.619 42.059 0.217 0.000 0.894 124 L HN 0.484 nan 8.230 nan 0.000 0.432 125 Q N -1.142 118.768 119.800 0.185 0.000 2.167 125 Q HA -0.239 4.104 4.340 0.005 0.000 0.202 125 Q C 2.106 178.163 176.000 0.095 0.000 0.970 125 Q CA 1.557 57.451 55.803 0.152 0.000 0.855 125 Q CB -0.121 28.746 28.738 0.215 0.000 0.911 125 Q HN 0.448 nan 8.270 nan 0.000 0.438 126 Y N -0.447 119.793 120.300 -0.100 0.000 2.097 126 Y HA -0.284 4.269 4.550 0.005 0.000 0.282 126 Y C 1.487 177.205 175.900 -0.303 0.000 1.152 126 Y CA 1.909 59.833 58.100 -0.293 0.000 1.136 126 Y CB -0.570 37.574 38.460 -0.528 0.000 0.975 126 Y HN 0.132 nan 8.280 nan 0.000 0.498 127 W N 0.369 121.682 121.300 0.023 0.000 2.388 127 W HA -0.159 4.504 4.660 0.005 0.000 0.294 127 W C 2.676 179.136 176.519 -0.099 0.000 1.212 127 W CA 0.980 58.271 57.345 -0.089 0.000 1.271 127 W CB -0.406 29.051 29.460 -0.005 0.000 1.126 127 W HN 0.104 nan 8.180 nan 0.000 0.535 128 Q N 0.999 120.891 119.800 0.154 0.000 2.084 128 Q HA -0.193 4.150 4.340 0.005 0.000 0.202 128 Q C 2.248 178.258 176.000 0.016 0.000 0.978 128 Q CA 2.016 57.867 55.803 0.081 0.000 0.844 128 Q CB -0.542 28.239 28.738 0.073 0.000 0.898 128 Q HN 0.291 nan 8.270 nan 0.000 0.426 129 A N 0.977 123.772 122.820 -0.042 0.000 1.972 129 A HA -0.138 4.185 4.320 0.005 0.000 0.219 129 A C 1.916 179.432 177.584 -0.113 0.000 1.169 129 A CA 1.350 53.337 52.037 -0.083 0.000 0.635 129 A CB -0.232 18.696 19.000 -0.120 0.000 0.810 129 A HN 0.318 nan 8.150 nan 0.000 0.446 130 K N -1.447 118.860 120.400 -0.155 0.000 2.459 130 K HA 0.179 4.502 4.320 0.005 0.000 0.193 130 K C 0.993 177.595 176.600 0.003 0.000 1.030 130 K CA 0.522 56.740 56.287 -0.114 0.000 1.026 130 K CB -0.017 32.372 32.500 -0.185 0.000 0.809 130 K HN 0.671 nan 8.250 nan 0.000 0.504 131 G N 2.244 111.058 108.800 0.024 0.000 2.137 131 G HA2 -0.259 3.704 3.960 0.005 0.000 0.237 131 G HA3 -0.259 3.704 3.960 0.005 0.000 0.237 131 G C -0.453 174.476 174.900 0.047 0.000 1.002 131 G CA -0.048 45.070 45.100 0.030 0.000 0.702 131 G HN 0.374 nan 8.290 nan 0.000 0.515 132 E N -0.139 120.118 120.200 0.095 0.000 2.179 132 E HA 0.615 4.968 4.350 0.005 0.000 0.275 132 E C 0.493 177.094 176.600 0.003 0.000 0.945 132 E CA -0.231 56.196 56.400 0.045 0.000 0.792 132 E CB 1.431 31.160 29.700 0.048 0.000 1.125 132 E HN 0.533 nan 8.360 nan 0.000 0.397 133 A N 4.773 127.563 122.820 -0.051 0.000 3.037 133 A HA 0.145 4.468 4.320 0.005 0.000 0.272 133 A C -0.121 177.381 177.584 -0.137 0.000 1.723 133 A CA -0.020 51.981 52.037 -0.060 0.000 1.413 133 A CB -0.364 18.611 19.000 -0.042 0.000 1.112 133 A HN 0.487 nan 8.150 nan 0.000 0.606 134 R N 0.887 121.279 120.500 -0.181 0.000 2.337 134 R HA 0.396 4.740 4.340 0.005 0.000 0.319 134 R C -0.247 175.923 176.300 -0.217 0.000 0.954 134 R CA -0.165 55.739 56.100 -0.327 0.000 0.840 134 R CB 1.195 31.052 30.300 -0.739 0.000 1.164 134 R HN 0.701 nan 8.270 nan 0.000 0.472 135 Q N 1.327 120.996 119.800 -0.217 0.000 2.113 135 Q HA 0.189 4.532 4.340 0.005 0.000 0.225 135 Q C -0.143 175.712 176.000 -0.241 0.000 0.786 135 Q CA -0.060 55.642 55.803 -0.168 0.000 0.989 135 Q CB 1.355 30.058 28.738 -0.057 0.000 1.174 135 Q HN 0.299 nan 8.270 nan 0.000 0.470 136 R N 0.037 120.333 120.500 -0.339 0.000 2.598 136 R HA 0.490 4.833 4.340 0.005 0.000 0.279 136 R C -0.962 175.028 176.300 -0.518 0.000 0.984 136 R CA -0.352 55.573 56.100 -0.292 0.000 0.999 136 R CB 1.088 31.249 30.300 -0.231 0.000 1.114 136 R HN -0.120 nan 8.270 nan 0.000 0.493 137 F N 1.604 121.450 119.950 -0.174 0.000 2.469 137 F HA 0.324 4.854 4.527 0.006 0.000 0.332 137 F C -0.200 175.442 175.800 -0.265 0.000 1.103 137 F CA -1.022 56.862 58.000 -0.193 0.000 0.979 137 F CB 1.420 40.309 39.000 -0.185 0.000 1.137 137 F HN 0.147 nan 8.300 nan 0.000 0.463 138 L N 3.267 124.433 121.223 -0.094 0.000 2.272 138 L HA 0.653 4.996 4.340 0.005 0.000 0.289 138 L C -0.181 176.617 176.870 -0.120 0.000 1.032 138 L CA 0.343 55.087 54.840 -0.160 0.000 0.810 138 L CB 1.010 42.961 42.059 -0.180 0.000 1.205 138 L HN 0.693 nan 8.230 nan 0.000 0.422 139 T N 3.878 118.319 114.554 -0.189 0.000 2.742 139 T HA 0.646 4.999 4.350 0.005 0.000 0.282 139 T C -0.762 173.971 174.700 0.055 0.000 1.025 139 T CA -0.467 61.556 62.100 -0.130 0.000 1.020 139 T CB 0.586 69.372 68.868 -0.137 0.000 1.317 139 T HN 0.263 nan 8.240 nan 0.000 0.538 140 F N 1.056 121.056 119.950 0.084 0.000 2.470 140 F HA 0.618 5.149 4.527 0.005 0.000 0.329 140 F C 1.220 177.132 175.800 0.187 0.000 1.072 140 F CA -1.479 56.568 58.000 0.079 0.000 0.989 140 F CB 1.140 40.070 39.000 -0.117 0.000 1.193 140 F HN 0.268 nan 8.300 nan 0.000 0.481 141 R N 0.879 121.577 120.500 0.330 0.000 2.774 141 R HA 0.077 4.421 4.340 0.005 0.000 0.269 141 R C 0.376 176.742 176.300 0.110 0.000 1.068 141 R CA -0.028 56.196 56.100 0.206 0.000 1.180 141 R CB 0.080 30.439 30.300 0.099 0.000 1.077 141 R HN 0.781 nan 8.270 nan 0.000 0.513 142 N N -1.411 117.331 118.700 0.069 0.000 2.828 142 N HA -0.142 4.601 4.740 0.005 0.000 0.248 142 N C -0.046 175.516 175.510 0.087 0.000 1.044 142 N CA 1.273 54.350 53.050 0.044 0.000 0.851 142 N CB -0.953 37.531 38.487 -0.004 0.000 1.136 142 N HN 0.822 nan 8.380 nan 0.000 0.572 143 G N 0.025 108.913 108.800 0.146 0.000 2.476 143 G HA2 0.511 4.474 3.960 0.005 0.000 0.269 143 G HA3 0.511 4.474 3.960 0.005 0.000 0.269 143 G C -0.920 174.010 174.900 0.050 0.000 1.195 143 G CA -0.239 44.921 45.100 0.099 0.000 0.843 143 G HN 0.163 nan 8.290 nan 0.000 0.545 144 F N 0.476 120.206 119.950 -0.367 0.000 2.573 144 F HA 0.532 5.061 4.527 0.005 0.000 0.316 144 F C -0.057 175.403 175.800 -0.567 0.000 1.148 144 F CA -1.028 56.790 58.000 -0.304 0.000 0.940 144 F CB 1.860 40.760 39.000 -0.166 0.000 1.214 144 F HN 0.571 nan 8.300 nan 0.000 0.448 145 H N 3.373 121.880 119.070 -0.937 0.000 3.230 145 H HA 0.593 5.152 4.556 0.005 0.000 0.259 145 H C 0.448 175.299 175.328 -0.794 0.000 1.195 145 H CA 0.051 55.688 56.048 -0.683 0.000 1.112 145 H CB 0.948 30.507 29.762 -0.338 0.000 1.638 145 H HN 0.932 nan 8.280 nan 0.000 0.624 146 G N 0.041 108.050 108.800 -1.318 0.000 2.354 146 G HA2 -0.128 3.835 3.960 0.005 0.000 0.582 146 G HA3 -0.128 3.835 3.960 0.005 0.000 0.582 146 G C -1.083 173.677 174.900 -0.234 0.000 1.316 146 G CA -0.382 44.382 45.100 -0.560 0.000 0.995 146 G HN 0.115 nan 8.290 nan 0.000 0.573 147 D N 0.032 120.420 120.400 -0.021 0.000 2.469 147 D HA 0.212 4.855 4.640 0.005 0.000 0.213 147 D C 1.575 177.772 176.300 -0.173 0.000 1.135 147 D CA 1.034 55.048 54.000 0.024 0.000 0.834 147 D CB 0.679 41.541 40.800 0.103 0.000 1.009 147 D HN 0.758 nan 8.370 nan 0.000 0.507 148 T N -2.304 112.150 114.554 -0.168 0.000 2.828 148 T HA 0.210 4.563 4.350 0.005 0.000 0.290 148 T C 1.503 176.045 174.700 -0.264 0.000 1.019 148 T CA -0.567 61.397 62.100 -0.226 0.000 1.031 148 T CB 0.639 69.459 68.868 -0.081 0.000 1.001 148 T HN -0.182 nan 8.240 nan 0.000 0.531 149 F N 1.086 120.970 119.950 -0.109 0.000 2.063 149 F HA -0.032 4.498 4.527 0.004 0.000 0.298 149 F C 2.886 178.616 175.800 -0.117 0.000 1.109 149 F CA 1.962 59.888 58.000 -0.124 0.000 1.212 149 F CB -1.038 37.924 39.000 -0.063 0.000 0.973 149 F HN 0.809 nan 8.300 nan 0.000 0.480 150 G N -0.681 108.161 108.800 0.070 0.000 2.421 150 G HA2 -0.218 3.745 3.960 0.005 0.000 0.216 150 G HA3 -0.218 3.745 3.960 0.005 0.000 0.216 150 G C 1.837 176.667 174.900 -0.118 0.000 1.171 150 G CA 0.906 45.978 45.100 -0.047 0.000 0.775 150 G HN 0.487 nan 8.290 nan 0.000 0.543 151 A N 0.644 123.395 122.820 -0.115 0.000 1.908 151 A HA -0.029 4.294 4.320 0.005 0.000 0.218 151 A C 2.481 180.027 177.584 -0.063 0.000 1.181 151 A CA 1.965 53.923 52.037 -0.132 0.000 0.627 151 A CB -0.400 18.508 19.000 -0.154 0.000 0.818 151 A HN 0.396 nan 8.150 nan 0.000 0.445 152 M N 0.484 120.055 119.600 -0.049 0.000 2.149 152 M HA -0.157 4.326 4.480 0.005 0.000 0.261 152 M C 2.343 178.739 176.300 0.161 0.000 1.064 152 M CA 1.754 57.085 55.300 0.051 0.000 1.102 152 M CB -0.434 32.095 32.600 -0.118 0.000 1.369 152 M HN 0.634 nan 8.290 nan 0.000 0.408 153 S N 0.058 115.793 115.700 0.058 0.000 2.500 153 S HA -0.049 4.425 4.470 0.005 0.000 0.239 153 S C 1.353 176.097 174.600 0.240 0.000 0.989 153 S CA 1.001 59.264 58.200 0.105 0.000 0.951 153 S CB -0.787 62.427 63.200 0.022 0.000 0.759 153 S HN 0.471 nan 8.310 nan 0.000 0.523 154 V N -2.468 117.552 119.914 0.176 0.000 3.276 154 V HA 0.484 4.607 4.120 0.005 0.000 0.319 154 V C 0.597 176.952 176.094 0.435 0.000 1.427 154 V CA -1.117 61.290 62.300 0.179 0.000 1.102 154 V CB -1.376 30.371 31.823 -0.126 0.000 1.020 154 V HN 0.476 nan 8.190 nan 0.000 0.456 155 C N 1.384 120.958 119.300 0.457 0.000 2.443 155 C HA 0.437 4.900 4.460 0.005 0.000 0.369 155 C C 0.746 175.911 174.990 0.292 0.000 1.241 155 C CA -0.130 59.104 59.018 0.360 0.000 2.413 155 C CB 0.688 28.618 27.740 0.317 0.000 2.451 155 C HN 0.736 nan 8.230 nan 0.000 0.595 156 D N 1.986 122.472 120.400 0.144 0.000 2.520 156 D HA 0.046 4.689 4.640 0.005 0.000 0.243 156 D C -1.477 174.579 176.300 -0.407 0.000 1.160 156 D CA -0.544 53.412 54.000 -0.074 0.000 0.877 156 D CB 0.795 41.581 40.800 -0.023 0.000 1.150 156 D HN 0.274 nan 8.370 nan 0.000 0.494 157 P HA -0.115 nan 4.420 nan 0.000 0.217 157 P C 0.469 177.528 177.300 -0.403 0.000 1.150 157 P CA 0.910 63.491 63.100 -0.865 0.000 0.832 157 P CB 0.243 31.589 31.700 -0.590 0.000 0.787 158 D N -0.962 119.285 120.400 -0.255 0.000 2.110 158 D HA -0.085 4.558 4.640 0.005 0.000 0.202 158 D C 1.639 177.889 176.300 -0.085 0.000 0.975 158 D CA 0.908 54.831 54.000 -0.128 0.000 0.839 158 D CB -0.781 39.960 40.800 -0.098 0.000 0.996 158 D HN 0.067 nan 8.370 nan 0.000 0.464 159 N N 0.960 119.610 118.700 -0.083 0.000 2.094 159 N HA -0.099 4.644 4.740 0.005 0.000 0.191 159 N C 1.613 177.132 175.510 0.015 0.000 1.023 159 N CA 0.927 53.959 53.050 -0.031 0.000 0.857 159 N CB -0.311 38.163 38.487 -0.021 0.000 1.013 159 N HN 0.021 nan 8.380 nan 0.000 0.426 160 S N 0.359 116.063 115.700 0.006 0.000 2.575 160 S HA 0.240 4.713 4.470 0.005 0.000 0.215 160 S C 0.419 175.177 174.600 0.263 0.000 0.966 160 S CA -0.152 58.143 58.200 0.160 0.000 0.911 160 S CB -0.051 63.279 63.200 0.217 0.000 0.780 160 S HN 0.286 nan 8.310 nan 0.000 0.514 161 M N 1.154 120.825 119.600 0.118 0.000 2.399 161 M HA -0.223 4.260 4.480 0.005 0.000 0.191 161 M C 0.271 176.697 176.300 0.211 0.000 0.732 161 M CA 0.367 55.733 55.300 0.109 0.000 0.512 161 M CB -2.023 30.623 32.600 0.077 0.000 1.191 161 M HN 0.495 nan 8.290 nan 0.000 0.894 162 H N -0.474 118.677 119.070 0.135 0.000 2.521 162 H HA -0.082 4.477 4.556 0.005 0.000 0.286 162 H C 2.098 177.476 175.328 0.084 0.000 1.034 162 H CA 1.231 57.424 56.048 0.243 0.000 1.278 162 H CB 0.291 30.179 29.762 0.209 0.000 1.386 162 H HN 0.836 nan 8.280 nan 0.000 0.567 163 S N 0.874 116.629 115.700 0.093 0.000 2.419 163 S HA -0.155 4.318 4.470 0.005 0.000 0.235 163 S C 2.022 176.543 174.600 -0.133 0.000 1.019 163 S CA 0.733 58.932 58.200 -0.001 0.000 0.982 163 S CB -0.574 62.615 63.200 -0.019 0.000 0.789 163 S HN 0.358 nan 8.310 nan 0.000 0.490 164 L N -1.004 119.988 121.223 -0.384 0.000 2.131 164 L HA -0.024 4.319 4.340 0.005 0.000 0.210 164 L C 1.826 178.330 176.870 -0.610 0.000 1.092 164 L CA 1.284 55.689 54.840 -0.726 0.000 0.759 164 L CB -0.466 40.753 42.059 -1.400 0.000 0.903 164 L HN 0.530 nan 8.230 nan 0.000 0.435 165 W N -1.170 120.208 121.300 0.130 0.000 2.991 165 W HA 0.266 4.928 4.660 0.004 0.000 0.391 165 W C 0.673 177.278 176.519 0.143 0.000 1.054 165 W CA -0.881 56.556 57.345 0.153 0.000 1.856 165 W CB -0.132 29.452 29.460 0.206 0.000 1.132 165 W HN -0.227 nan 8.180 nan 0.000 0.601 166 K N 1.551 122.081 120.400 0.218 0.000 2.466 166 K HA 0.226 4.549 4.320 0.005 0.000 0.278 166 K C 1.321 178.024 176.600 0.171 0.000 1.048 166 K CA 1.727 58.118 56.287 0.173 0.000 1.088 166 K CB 0.011 32.574 32.500 0.105 0.000 0.884 166 K HN 0.332 nan 8.250 nan 0.000 0.478 167 G N 3.257 112.154 108.800 0.162 0.000 2.232 167 G HA2 -0.319 3.644 3.960 0.005 0.000 0.226 167 G HA3 -0.319 3.644 3.960 0.005 0.000 0.226 167 G C 0.373 175.371 174.900 0.163 0.000 0.996 167 G CA 0.321 45.502 45.100 0.136 0.000 0.626 167 G HN 0.701 nan 8.290 nan 0.000 0.509 168 Y N 0.505 120.859 120.300 0.090 0.000 2.422 168 Y HA 0.601 5.155 4.550 0.006 0.000 0.291 168 Y C 1.543 177.445 175.900 0.003 0.000 1.144 168 Y CA 0.149 58.271 58.100 0.036 0.000 1.208 168 Y CB 0.187 38.685 38.460 0.064 0.000 1.195 168 Y HN 0.180 nan 8.280 nan 0.000 0.535 169 L N 3.101 124.418 121.223 0.157 0.000 2.426 169 L HA 0.211 4.554 4.340 0.005 0.000 0.271 169 L C -2.065 174.811 176.870 0.009 0.000 1.169 169 L CA -1.917 52.954 54.840 0.051 0.000 0.836 169 L CB 0.351 42.445 42.059 0.058 0.000 1.112 169 L HN 0.088 nan 8.230 nan 0.000 0.465 170 P HA 0.106 nan 4.420 nan 0.000 0.271 170 P C -1.201 176.148 177.300 0.082 0.000 1.218 170 P CA -0.283 62.828 63.100 0.017 0.000 0.780 170 P CB 0.473 32.183 31.700 0.017 0.000 0.901 171 E N 2.028 122.284 120.200 0.093 0.000 2.046 171 E HA 0.212 4.566 4.350 0.005 0.000 0.279 171 E C 0.006 176.681 176.600 0.124 0.000 0.989 171 E CA -0.505 55.989 56.400 0.156 0.000 0.798 171 E CB 0.470 30.251 29.700 0.135 0.000 1.086 171 E HN 0.367 nan 8.360 nan 0.000 0.399 172 N N 2.056 120.853 118.700 0.161 0.000 2.476 172 N HA 0.407 5.150 4.740 0.005 0.000 0.287 172 N C -0.431 174.981 175.510 -0.162 0.000 1.262 172 N CA -0.409 52.609 53.050 -0.053 0.000 0.980 172 N CB 0.754 39.152 38.487 -0.149 0.000 1.163 172 N HN 0.267 nan 8.380 nan 0.000 0.592 173 L N 0.935 121.946 121.223 -0.354 0.000 2.295 173 L HA 0.435 4.778 4.340 0.005 0.000 0.285 173 L C -0.825 175.798 176.870 -0.412 0.000 1.035 173 L CA -0.410 54.260 54.840 -0.283 0.000 0.806 173 L CB 0.411 42.283 42.059 -0.312 0.000 1.214 173 L HN 0.297 nan 8.230 nan 0.000 0.426 174 F N 2.247 122.217 119.950 0.033 0.000 2.366 174 F HA 0.550 5.080 4.527 0.005 0.000 0.366 174 F C 0.640 176.505 175.800 0.107 0.000 1.096 174 F CA -0.558 57.492 58.000 0.085 0.000 1.060 174 F CB 1.388 40.439 39.000 0.085 0.000 1.282 174 F HN 0.482 nan 8.300 nan 0.000 0.450 175 A N 4.743 127.731 122.820 0.279 0.000 2.332 175 A HA 0.677 5.000 4.320 0.005 0.000 0.258 175 A C -2.442 175.306 177.584 0.274 0.000 1.087 175 A CA -1.574 50.649 52.037 0.311 0.000 0.802 175 A CB -0.038 19.263 19.000 0.500 0.000 1.042 175 A HN 0.382 nan 8.150 nan 0.000 0.489 176 P HA 0.252 nan 4.420 nan 0.000 0.269 176 P C -0.177 177.075 177.300 -0.080 0.000 1.215 176 P CA 0.194 63.343 63.100 0.081 0.000 0.780 176 P CB 0.396 32.145 31.700 0.080 0.000 0.898 177 A N 4.464 127.198 122.820 -0.143 0.000 2.540 177 A HA 0.268 4.591 4.320 0.005 0.000 0.239 177 A C -2.000 175.278 177.584 -0.511 0.000 1.061 177 A CA -0.831 50.989 52.037 -0.361 0.000 0.758 177 A CB -1.477 17.402 19.000 -0.202 0.000 0.991 177 A HN 0.407 nan 8.150 nan 0.000 0.502 178 P HA 0.125 nan 4.420 nan 0.000 0.264 178 P C -0.034 177.128 177.300 -0.229 0.000 1.193 178 P CA 0.267 62.873 63.100 -0.822 0.000 0.763 178 P CB 0.599 31.286 31.700 -1.689 0.000 0.810 179 Q N 0.722 120.527 119.800 0.008 0.000 2.226 179 Q HA 0.057 4.400 4.340 0.005 0.000 0.199 179 Q C 0.378 176.432 176.000 0.091 0.000 0.945 179 Q CA 0.581 56.401 55.803 0.028 0.000 0.861 179 Q CB -0.060 28.680 28.738 0.004 0.000 0.953 179 Q HN 0.411 nan 8.270 nan 0.000 0.490 180 S N 1.528 117.323 115.700 0.158 0.000 2.546 180 S HA 0.095 4.568 4.470 0.005 0.000 0.290 180 S C -0.027 174.762 174.600 0.315 0.000 1.290 180 S CA 0.038 58.359 58.200 0.202 0.000 1.069 180 S CB 0.404 63.731 63.200 0.212 0.000 0.846 180 S HN 0.175 nan 8.310 nan 0.000 0.495 181 R N 1.627 122.274 120.500 0.245 0.000 2.531 181 R HA 0.222 4.565 4.340 0.005 0.000 0.273 181 R C 1.437 177.861 176.300 0.206 0.000 1.070 181 R CA -0.650 55.570 56.100 0.201 0.000 1.112 181 R CB 0.257 30.630 30.300 0.121 0.000 1.049 181 R HN 0.609 nan 8.270 nan 0.000 0.508 182 M N 1.475 121.129 119.600 0.090 0.000 2.159 182 M HA -0.155 4.329 4.480 0.005 0.000 0.263 182 M C 0.856 177.128 176.300 -0.046 0.000 1.063 182 M CA 1.946 57.217 55.300 -0.049 0.000 1.110 182 M CB -0.112 32.417 32.600 -0.119 0.000 1.374 182 M HN 0.546 nan 8.290 nan 0.000 0.411 183 D N 0.213 120.621 120.400 0.014 0.000 2.178 183 D HA 0.002 4.646 4.640 0.005 0.000 0.201 183 D C 1.250 177.585 176.300 0.059 0.000 0.980 183 D CA 1.386 55.401 54.000 0.025 0.000 0.842 183 D CB -0.233 40.587 40.800 0.034 0.000 0.948 183 D HN 0.533 nan 8.370 nan 0.000 0.472 184 G N -0.586 108.282 108.800 0.113 0.000 2.940 184 G HA2 0.501 4.464 3.960 0.005 0.000 0.164 184 G HA3 0.501 4.464 3.960 0.005 0.000 0.164 184 G C -0.184 174.864 174.900 0.247 0.000 1.326 184 G CA 0.195 45.384 45.100 0.148 0.000 1.020 184 G HN 0.226 nan 8.290 nan 0.000 0.586 185 E N -0.899 119.426 120.200 0.208 0.000 2.250 185 E HA 0.484 4.837 4.350 0.005 0.000 0.265 185 E C -0.779 175.939 176.600 0.197 0.000 1.033 185 E CA -1.107 55.419 56.400 0.210 0.000 0.888 185 E CB 1.086 30.851 29.700 0.108 0.000 1.151 185 E HN 0.565 nan 8.360 nan 0.000 0.412 186 W N 1.948 123.155 121.300 -0.155 0.000 2.315 186 W HA 0.469 5.132 4.660 0.005 0.000 0.316 186 W C -1.266 175.154 176.519 -0.164 0.000 1.211 186 W CA -0.099 57.039 57.345 -0.344 0.000 1.201 186 W CB 1.266 30.402 29.460 -0.539 0.000 1.184 186 W HN 0.579 nan 8.180 nan 0.000 0.544 187 D N 3.912 123.703 120.400 -1.015 0.000 2.505 187 D HA 0.098 4.741 4.640 0.005 0.000 0.250 187 D C 0.824 176.380 176.300 -1.240 0.000 1.164 187 D CA -0.168 53.341 54.000 -0.818 0.000 0.870 187 D CB 1.421 41.955 40.800 -0.443 0.000 1.160 187 D HN 0.435 nan 8.370 nan 0.000 0.549 188 E N 2.136 121.846 120.200 -0.818 0.000 2.333 188 E HA -0.133 4.220 4.350 0.005 0.000 0.198 188 E C 1.440 177.831 176.600 -0.347 0.000 1.007 188 E CA 0.364 56.470 56.400 -0.489 0.000 0.845 188 E CB 0.316 29.967 29.700 -0.083 0.000 0.766 188 E HN 0.442 nan 8.360 nan 0.000 0.507 189 R N 0.747 121.059 120.500 -0.313 0.000 2.152 189 R HA -0.137 4.207 4.340 0.005 0.000 0.232 189 R C 1.770 177.969 176.300 -0.168 0.000 1.117 189 R CA 0.903 56.894 56.100 -0.182 0.000 0.981 189 R CB -0.001 30.215 30.300 -0.141 0.000 0.870 189 R HN 0.072 nan 8.270 nan 0.000 0.451 190 D N 0.083 120.297 120.400 -0.310 0.000 2.190 190 D HA -0.178 4.465 4.640 0.005 0.000 0.200 190 D C 1.543 177.867 176.300 0.040 0.000 0.992 190 D CA 1.078 54.991 54.000 -0.146 0.000 0.854 190 D CB 0.160 40.730 40.800 -0.382 0.000 0.936 190 D HN 0.123 nan 8.370 nan 0.000 0.462 191 M N -0.012 119.497 119.600 -0.151 0.000 2.419 191 M HA -0.039 4.444 4.480 0.005 0.000 0.264 191 M C 2.330 178.743 176.300 0.188 0.000 1.082 191 M CA 0.314 55.605 55.300 -0.015 0.000 1.119 191 M CB -0.826 31.727 32.600 -0.078 0.000 1.398 191 M HN 0.030 nan 8.290 nan 0.000 0.453 192 V N -0.249 119.735 119.914 0.117 0.000 2.332 192 V HA -0.142 3.982 4.120 0.005 0.000 0.248 192 V C 2.124 178.324 176.094 0.177 0.000 1.055 192 V CA 2.512 64.885 62.300 0.122 0.000 1.038 192 V CB -1.637 30.226 31.823 0.065 0.000 0.651 192 V HN 0.396 nan 8.190 nan 0.000 0.450 193 G N -1.014 107.915 108.800 0.215 0.000 2.459 193 G HA2 -0.310 3.653 3.960 0.005 0.000 0.217 193 G HA3 -0.310 3.653 3.960 0.005 0.000 0.217 193 G C 1.535 176.603 174.900 0.279 0.000 1.183 193 G CA 1.164 46.397 45.100 0.222 0.000 0.776 193 G HN 0.618 nan 8.290 nan 0.000 0.552 194 F N 2.331 122.445 119.950 0.273 0.000 2.134 194 F HA 0.055 4.585 4.527 0.005 0.000 0.299 194 F C 2.847 178.771 175.800 0.207 0.000 1.097 194 F CA 1.461 59.638 58.000 0.296 0.000 1.264 194 F CB -0.201 39.110 39.000 0.517 0.000 1.001 194 F HN 0.232 nan 8.300 nan 0.000 0.479 195 A N 0.496 123.535 122.820 0.365 0.000 1.902 195 A HA -0.238 4.085 4.320 0.005 0.000 0.217 195 A C 2.338 179.971 177.584 0.080 0.000 1.181 195 A CA 1.824 53.985 52.037 0.207 0.000 0.623 195 A CB -0.918 18.195 19.000 0.189 0.000 0.818 195 A HN 0.480 nan 8.150 nan 0.000 0.443 196 R N -0.419 120.133 120.500 0.087 0.000 2.091 196 R HA -0.077 4.266 4.340 0.005 0.000 0.238 196 R C 1.952 178.272 176.300 0.034 0.000 1.136 196 R CA 1.601 57.735 56.100 0.056 0.000 0.959 196 R CB -0.388 29.954 30.300 0.071 0.000 0.856 196 R HN 0.521 nan 8.270 nan 0.000 0.437 197 L N 0.022 121.254 121.223 0.015 0.000 2.056 197 L HA -0.160 4.183 4.340 0.005 0.000 0.207 197 L C 2.629 179.493 176.870 -0.009 0.000 1.078 197 L CA 1.016 55.879 54.840 0.038 0.000 0.749 197 L CB -0.307 41.716 42.059 -0.059 0.000 0.901 197 L HN 0.306 nan 8.230 nan 0.000 0.433 198 M N 0.131 119.619 119.600 -0.187 0.000 2.117 198 M HA -0.149 4.334 4.480 0.005 0.000 0.262 198 M C 2.280 178.554 176.300 -0.042 0.000 1.065 198 M CA 2.120 57.315 55.300 -0.176 0.000 1.114 198 M CB -0.494 31.980 32.600 -0.211 0.000 1.361 198 M HN 0.166 nan 8.290 nan 0.000 0.408 199 A N -0.237 122.576 122.820 -0.012 0.000 1.883 199 A HA 0.012 4.335 4.320 0.005 0.000 0.217 199 A C 2.362 179.960 177.584 0.023 0.000 1.186 199 A CA 2.232 54.278 52.037 0.015 0.000 0.624 199 A CB -1.485 17.520 19.000 0.008 0.000 0.822 199 A HN 0.669 nan 8.150 nan 0.000 0.444 200 A N -1.632 121.158 122.820 -0.050 0.000 2.014 200 A HA -0.009 4.314 4.320 0.005 0.000 0.218 200 A C 1.571 178.998 177.584 -0.262 0.000 1.163 200 A CA 1.619 53.518 52.037 -0.229 0.000 0.652 200 A CB -0.500 18.257 19.000 -0.405 0.000 0.808 200 A HN 0.708 nan 8.150 nan 0.000 0.449 201 H N -1.630 117.490 119.070 0.083 0.000 2.785 201 H HA 0.142 4.702 4.556 0.005 0.000 0.268 201 H C 1.705 176.422 175.328 -1.017 0.000 1.153 201 H CA 0.181 56.057 56.048 -0.286 0.000 1.111 201 H CB 0.280 29.915 29.762 -0.211 0.000 1.633 201 H HN 0.625 nan 8.280 nan 0.000 0.576 202 R N 0.706 120.887 120.500 -0.532 0.000 2.140 202 R HA -0.257 4.087 4.340 0.005 0.000 0.250 202 R C 0.843 176.814 176.300 -0.548 0.000 1.150 202 R CA 2.435 58.321 56.100 -0.357 0.000 0.966 202 R CB -0.978 29.353 30.300 0.051 0.000 0.869 202 R HN 0.541 nan 8.270 nan 0.000 0.445 203 H N 0.140 119.134 119.070 -0.127 0.000 2.529 203 H HA 0.090 4.649 4.556 0.005 0.000 0.277 203 H C 0.872 176.079 175.328 -0.202 0.000 0.999 203 H CA 1.007 56.960 56.048 -0.159 0.000 1.256 203 H CB -0.007 29.687 29.762 -0.113 0.000 1.402 203 H HN 0.699 nan 8.280 nan 0.000 0.566 204 E N 0.987 120.862 120.200 -0.542 0.000 2.526 204 E HA 0.218 4.571 4.350 0.005 0.000 0.208 204 E C -0.193 176.170 176.600 -0.396 0.000 0.997 204 E CA -0.245 55.952 56.400 -0.339 0.000 0.961 204 E CB 0.505 30.101 29.700 -0.174 0.000 1.030 204 E HN 0.340 nan 8.360 nan 0.000 0.483 205 I N 1.863 122.162 120.570 -0.451 0.000 2.396 205 I HA 0.159 4.332 4.170 0.005 0.000 0.289 205 I C 1.080 176.898 176.117 -0.498 0.000 1.056 205 I CA -0.321 60.726 61.300 -0.420 0.000 1.365 205 I CB 1.490 39.292 38.000 -0.330 0.000 1.407 205 I HN 0.183 nan 8.210 nan 0.000 0.509 206 A N 5.612 128.111 122.820 -0.535 0.000 1.935 206 A HA 0.540 4.863 4.320 0.005 0.000 0.214 206 A C 0.980 178.515 177.584 -0.081 0.000 1.178 206 A CA 1.114 52.920 52.037 -0.384 0.000 0.640 206 A CB 0.085 18.851 19.000 -0.389 0.000 0.825 206 A HN 0.768 nan 8.150 nan 0.000 0.447 207 A N -1.967 120.686 122.820 -0.278 0.000 2.612 207 A HA 0.568 4.891 4.320 0.005 0.000 0.293 207 A C -1.233 176.343 177.584 -0.014 0.000 1.075 207 A CA -0.372 51.641 52.037 -0.040 0.000 0.680 207 A CB 0.717 19.777 19.000 0.099 0.000 1.279 207 A HN 0.413 nan 8.150 nan 0.000 0.411 208 V N 1.641 121.569 119.914 0.023 0.000 2.439 208 V HA 0.542 4.665 4.120 0.005 0.000 0.282 208 V C -0.249 175.829 176.094 -0.027 0.000 1.039 208 V CA -0.219 62.090 62.300 0.015 0.000 0.913 208 V CB 1.309 33.174 31.823 0.070 0.000 0.983 208 V HN 0.730 nan 8.190 nan 0.000 0.460 209 I N 7.212 127.727 120.570 -0.093 0.000 2.436 209 I HA 0.713 4.886 4.170 0.005 0.000 0.289 209 I C -0.736 175.247 176.117 -0.223 0.000 1.010 209 I CA -0.450 60.732 61.300 -0.198 0.000 1.098 209 I CB 1.021 38.814 38.000 -0.346 0.000 1.266 209 I HN 0.735 nan 8.210 nan 0.000 0.434 210 I N 2.683 123.173 120.570 -0.133 0.000 3.006 210 I HA 0.536 4.710 4.170 0.005 0.000 0.306 210 I C -1.411 174.817 176.117 0.186 0.000 1.250 210 I CA -0.895 60.394 61.300 -0.019 0.000 0.996 210 I CB 2.299 40.105 38.000 -0.325 0.000 1.261 210 I HN 0.478 nan 8.210 nan 0.000 0.442 211 E N 4.493 124.860 120.200 0.277 0.000 2.194 211 E HA 0.334 4.688 4.350 0.005 0.000 0.284 211 E C -2.430 174.336 176.600 0.277 0.000 1.035 211 E CA -1.747 54.775 56.400 0.203 0.000 0.836 211 E CB 0.854 30.629 29.700 0.126 0.000 1.070 211 E HN 0.381 nan 8.360 nan 0.000 0.401 212 P HA 0.004 nan 4.420 nan 0.000 0.276 212 P C 0.607 177.878 177.300 -0.048 0.000 1.253 212 P CA -0.000 63.193 63.100 0.155 0.000 0.766 212 P CB 0.765 32.525 31.700 0.100 0.000 0.845 213 I N 0.469 120.758 120.570 -0.469 0.000 4.407 213 I HA -0.273 3.900 4.170 0.005 0.000 0.066 213 I C 0.384 176.126 176.117 -0.624 0.000 0.591 213 I CA 1.436 62.208 61.300 -0.880 0.000 1.050 213 I CB -2.045 35.714 38.000 -0.401 0.000 0.939 213 I HN 0.178 nan 8.210 nan 0.000 0.169 214 V N 3.477 123.279 119.914 -0.186 0.000 2.409 214 V HA 0.368 4.492 4.120 0.005 0.000 0.291 214 V C 0.339 176.488 176.094 0.091 0.000 1.020 214 V CA -0.508 61.786 62.300 -0.010 0.000 0.848 214 V CB 1.605 33.463 31.823 0.057 0.000 0.990 214 V HN 0.234 nan 8.190 nan 0.000 0.430 215 Q N 3.020 122.911 119.800 0.152 0.000 2.377 215 Q HA 0.386 4.730 4.340 0.005 0.000 0.249 215 Q C 1.051 177.115 176.000 0.106 0.000 1.005 215 Q CA 0.018 55.903 55.803 0.136 0.000 0.912 215 Q CB 1.847 30.669 28.738 0.140 0.000 1.223 215 Q HN 0.945 nan 8.270 nan 0.000 0.459 216 G N 1.801 110.662 108.800 0.103 0.000 2.688 216 G HA2 -0.148 3.815 3.960 0.005 0.000 0.211 216 G HA3 -0.148 3.815 3.960 0.005 0.000 0.211 216 G C 1.131 176.089 174.900 0.097 0.000 1.399 216 G CA 0.673 45.893 45.100 0.200 0.000 0.901 216 G HN 0.657 nan 8.290 nan 0.000 0.555 217 A N 0.200 123.041 122.820 0.034 0.000 2.076 217 A HA 0.170 4.494 4.320 0.005 0.000 0.220 217 A C 2.406 179.913 177.584 -0.128 0.000 1.160 217 A CA 1.990 53.917 52.037 -0.183 0.000 0.653 217 A CB -0.708 17.858 19.000 -0.723 0.000 0.801 217 A HN 0.726 nan 8.150 nan 0.000 0.455 218 G N -2.162 106.627 108.800 -0.020 0.000 2.985 218 G HA2 0.375 4.338 3.960 0.005 0.000 0.209 218 G HA3 0.375 4.338 3.960 0.005 0.000 0.209 218 G C 0.816 175.708 174.900 -0.013 0.000 1.165 218 G CA 0.820 45.922 45.100 0.002 0.000 0.776 218 G HN 1.435 nan 8.290 nan 0.000 0.541 219 G N -0.861 107.924 108.800 -0.025 0.000 4.106 219 G HA2 -0.043 3.920 3.960 0.005 0.000 0.220 219 G HA3 -0.043 3.920 3.960 0.005 0.000 0.220 219 G C 0.586 175.463 174.900 -0.039 0.000 0.853 219 G CA -0.019 45.059 45.100 -0.037 0.000 0.920 219 G HN 0.195 nan 8.290 nan 0.000 0.715 220 M N 0.358 119.935 119.600 -0.039 0.000 2.206 220 M HA -0.151 4.332 4.480 0.005 0.000 0.197 220 M C 0.447 176.759 176.300 0.019 0.000 0.375 220 M CA 0.849 56.131 55.300 -0.031 0.000 0.410 220 M CB -1.943 30.560 32.600 -0.161 0.000 1.204 220 M HN 0.565 nan 8.290 nan 0.000 0.932 221 R N -0.034 120.494 120.500 0.046 0.000 2.459 221 R HA 0.700 5.043 4.340 0.005 0.000 0.281 221 R C 0.271 176.623 176.300 0.085 0.000 1.050 221 R CA -0.244 55.894 56.100 0.063 0.000 1.055 221 R CB 0.941 31.279 30.300 0.064 0.000 1.045 221 R HN 0.366 nan 8.270 nan 0.000 0.495 222 M N 3.878 123.521 119.600 0.071 0.000 2.093 222 M HA 0.291 4.774 4.480 0.005 0.000 0.297 222 M C -1.286 175.052 176.300 0.063 0.000 0.938 222 M CA -0.810 54.497 55.300 0.012 0.000 0.920 222 M CB 1.272 33.867 32.600 -0.009 0.000 1.517 222 M HN 0.549 nan 8.290 nan 0.000 0.427 223 Y N -0.880 119.436 120.300 0.027 0.000 2.602 223 Y HA 0.598 5.151 4.550 0.005 0.000 0.330 223 Y C -0.100 175.909 175.900 0.182 0.000 1.114 223 Y CA -1.280 56.880 58.100 0.099 0.000 1.182 223 Y CB 0.598 39.074 38.460 0.026 0.000 1.305 223 Y HN 0.486 nan 8.280 nan 0.000 0.502 224 H N 2.880 122.241 119.070 0.485 0.000 2.886 224 H HA 0.140 4.700 4.556 0.005 0.000 0.329 224 H C -1.893 173.667 175.328 0.386 0.000 1.044 224 H CA -1.897 54.385 56.048 0.390 0.000 1.456 224 H CB 1.758 31.841 29.762 0.535 0.000 1.464 224 H HN 0.518 nan 8.280 nan 0.000 0.573 225 P HA -0.138 nan 4.420 nan 0.000 0.219 225 P C 1.273 178.724 177.300 0.252 0.000 1.146 225 P CA 0.959 64.173 63.100 0.191 0.000 0.808 225 P CB 0.396 32.119 31.700 0.037 0.000 0.779 226 E N -0.972 119.397 120.200 0.281 0.000 2.171 226 E HA -0.209 4.144 4.350 0.005 0.000 0.197 226 E C 1.708 178.104 176.600 -0.340 0.000 0.997 226 E CA 1.368 57.563 56.400 -0.341 0.000 0.810 226 E CB -1.032 27.914 29.700 -1.256 0.000 0.738 226 E HN 0.263 nan 8.360 nan 0.000 0.467 227 W N 0.344 121.626 121.300 -0.031 0.000 2.318 227 W HA -0.216 4.448 4.660 0.006 0.000 0.313 227 W C 2.102 178.689 176.519 0.113 0.000 1.221 227 W CA 1.447 58.895 57.345 0.171 0.000 1.266 227 W CB -0.320 29.384 29.460 0.406 0.000 1.150 227 W HN 0.132 nan 8.180 nan 0.000 0.496 228 L N -0.214 121.277 121.223 0.447 0.000 2.056 228 L HA -0.222 4.121 4.340 0.005 0.000 0.207 228 L C 2.420 179.366 176.870 0.127 0.000 1.078 228 L CA 1.341 56.345 54.840 0.273 0.000 0.749 228 L CB -0.936 41.264 42.059 0.235 0.000 0.901 228 L HN -0.034 nan 8.230 nan 0.000 0.433 229 K N -0.159 120.279 120.400 0.062 0.000 2.009 229 K HA -0.185 4.138 4.320 0.005 0.000 0.210 229 K C 2.421 179.006 176.600 -0.025 0.000 1.049 229 K CA 1.296 57.578 56.287 -0.009 0.000 0.929 229 K CB 0.067 32.523 32.500 -0.075 0.000 0.714 229 K HN 0.123 nan 8.250 nan 0.000 0.440 230 R N 0.495 120.954 120.500 -0.068 0.000 2.073 230 R HA -0.102 4.241 4.340 0.005 0.000 0.234 230 R C 2.356 178.662 176.300 0.010 0.000 1.134 230 R CA 1.328 57.387 56.100 -0.069 0.000 0.952 230 R CB -0.744 29.455 30.300 -0.168 0.000 0.850 230 R HN 0.338 nan 8.270 nan 0.000 0.433 231 I N 0.549 121.142 120.570 0.038 0.000 2.226 231 I HA -0.291 3.882 4.170 0.005 0.000 0.245 231 I C 2.721 178.881 176.117 0.071 0.000 1.100 231 I CA 1.237 62.558 61.300 0.035 0.000 1.374 231 I CB -0.246 37.753 38.000 -0.002 0.000 1.057 231 I HN 0.056 nan 8.210 nan 0.000 0.413 232 R N 1.762 122.294 120.500 0.053 0.000 2.083 232 R HA -0.186 4.157 4.340 0.005 0.000 0.237 232 R C 2.088 178.415 176.300 0.045 0.000 1.137 232 R CA 1.798 57.923 56.100 0.042 0.000 0.951 232 R CB -0.308 30.009 30.300 0.029 0.000 0.851 232 R HN 0.251 nan 8.270 nan 0.000 0.434 233 K N -0.251 120.172 120.400 0.038 0.000 2.057 233 K HA -0.068 4.255 4.320 0.005 0.000 0.206 233 K C 2.181 178.819 176.600 0.063 0.000 1.050 233 K CA 1.742 58.052 56.287 0.038 0.000 0.935 233 K CB -0.246 32.266 32.500 0.020 0.000 0.715 233 K HN 0.203 nan 8.250 nan 0.000 0.439 234 I N 0.976 121.602 120.570 0.093 0.000 2.179 234 I HA -0.366 3.807 4.170 0.005 0.000 0.242 234 I C 2.452 178.641 176.117 0.120 0.000 1.088 234 I CA 1.022 62.403 61.300 0.134 0.000 1.357 234 I CB -0.370 37.774 38.000 0.241 0.000 1.051 234 I HN 0.258 nan 8.210 nan 0.000 0.409 235 C N 0.571 119.942 119.300 0.120 0.000 2.413 235 C HA -0.186 4.278 4.460 0.005 0.000 0.276 235 C C 2.479 177.518 174.990 0.082 0.000 1.248 235 C CA 0.840 59.918 59.018 0.099 0.000 1.742 235 C CB -1.053 26.737 27.740 0.084 0.000 2.017 235 C HN 0.529 nan 8.230 nan 0.000 0.481 236 D N 0.284 120.723 120.400 0.066 0.000 2.092 236 D HA -0.133 4.510 4.640 0.005 0.000 0.193 236 D C 2.330 178.667 176.300 0.061 0.000 0.994 236 D CA 1.341 55.374 54.000 0.056 0.000 0.828 236 D CB -0.448 40.375 40.800 0.040 0.000 0.963 236 D HN 0.306 nan 8.370 nan 0.000 0.450 237 R N 0.593 121.128 120.500 0.059 0.000 2.096 237 R HA -0.045 4.298 4.340 0.005 0.000 0.235 237 R C 1.897 178.232 176.300 0.058 0.000 1.127 237 R CA 0.981 57.114 56.100 0.054 0.000 0.968 237 R CB -0.045 30.287 30.300 0.052 0.000 0.861 237 R HN 0.183 nan 8.270 nan 0.000 0.440 238 E N -1.354 118.884 120.200 0.063 0.000 2.442 238 E HA 0.099 4.452 4.350 0.005 0.000 0.195 238 E C 0.911 177.551 176.600 0.067 0.000 1.030 238 E CA 0.822 57.252 56.400 0.050 0.000 0.869 238 E CB 0.428 30.148 29.700 0.033 0.000 0.857 238 E HN 0.492 nan 8.360 nan 0.000 0.505 239 G N 1.859 110.726 108.800 0.111 0.000 2.143 239 G HA2 -0.287 3.676 3.960 0.005 0.000 0.249 239 G HA3 -0.287 3.676 3.960 0.005 0.000 0.249 239 G C 0.310 175.400 174.900 0.317 0.000 0.981 239 G CA 0.260 45.482 45.100 0.203 0.000 0.665 239 G HN 0.241 nan 8.290 nan 0.000 0.528 240 I N 0.798 121.484 120.570 0.193 0.000 2.499 240 I HA 0.398 4.571 4.170 0.005 0.000 0.296 240 I C 1.154 177.383 176.117 0.187 0.000 0.992 240 I CA -0.951 60.475 61.300 0.210 0.000 1.297 240 I CB 1.122 39.151 38.000 0.049 0.000 1.410 240 I HN -0.040 nan 8.210 nan 0.000 0.507 241 L N 5.615 126.962 121.223 0.208 0.000 2.397 241 L HA 0.240 4.584 4.340 0.005 0.000 0.271 241 L C -0.410 176.470 176.870 0.016 0.000 1.148 241 L CA -0.415 54.444 54.840 0.033 0.000 0.825 241 L CB 0.805 42.826 42.059 -0.063 0.000 1.117 241 L HN 0.385 nan 8.230 nan 0.000 0.456 242 L N 4.749 125.957 121.223 -0.025 0.000 2.305 242 L HA 0.518 4.861 4.340 0.005 0.000 0.284 242 L C -0.546 176.290 176.870 -0.056 0.000 1.013 242 L CA 0.087 54.913 54.840 -0.023 0.000 0.819 242 L CB 1.135 43.186 42.059 -0.013 0.000 1.227 242 L HN 0.340 nan 8.230 nan 0.000 0.417 243 I N 5.498 126.034 120.570 -0.057 0.000 2.312 243 I HA 0.551 4.724 4.170 0.005 0.000 0.290 243 I C 0.097 176.162 176.117 -0.086 0.000 1.008 243 I CA -0.448 60.800 61.300 -0.086 0.000 1.226 243 I CB 1.587 39.529 38.000 -0.097 0.000 1.371 243 I HN 0.793 nan 8.210 nan 0.000 0.468 244 A N 4.874 127.646 122.820 -0.080 0.000 2.249 244 A HA 0.330 4.653 4.320 0.005 0.000 0.314 244 A C -0.504 177.049 177.584 -0.051 0.000 1.290 244 A CA -0.498 51.509 52.037 -0.050 0.000 0.893 244 A CB 0.436 19.408 19.000 -0.047 0.000 1.165 244 A HN 0.658 nan 8.150 nan 0.000 0.530 245 D N 2.666 123.064 120.400 -0.002 0.000 2.441 245 D HA 0.134 4.777 4.640 0.005 0.000 0.221 245 D C 0.186 176.481 176.300 -0.008 0.000 1.156 245 D CA 0.151 54.161 54.000 0.016 0.000 0.896 245 D CB 0.524 41.422 40.800 0.164 0.000 1.028 245 D HN 0.576 nan 8.370 nan 0.000 0.509 246 E N 3.527 123.700 120.200 -0.046 0.000 2.496 246 E HA 0.105 4.458 4.350 0.005 0.000 0.202 246 E C 1.541 178.092 176.600 -0.082 0.000 1.021 246 E CA -0.214 56.149 56.400 -0.061 0.000 1.015 246 E CB 0.560 30.238 29.700 -0.038 0.000 1.102 246 E HN 0.616 nan 8.360 nan 0.000 0.452 247 I N 0.842 121.363 120.570 -0.081 0.000 2.286 247 I HA -0.269 3.905 4.170 0.005 0.000 0.248 247 I C 2.309 178.319 176.117 -0.178 0.000 1.115 247 I CA 1.337 62.596 61.300 -0.069 0.000 1.392 247 I CB 0.011 37.982 38.000 -0.048 0.000 1.065 247 I HN 0.126 nan 8.210 nan 0.000 0.418 248 A N -0.020 122.567 122.820 -0.389 0.000 1.973 248 A HA -0.060 4.263 4.320 0.005 0.000 0.210 248 A C 2.290 179.510 177.584 -0.607 0.000 1.200 248 A CA 1.193 52.700 52.037 -0.884 0.000 0.707 248 A CB -0.673 17.375 19.000 -1.586 0.000 0.862 248 A HN 0.428 nan 8.150 nan 0.000 0.461 249 T N -2.423 111.933 114.554 -0.331 0.000 3.067 249 T HA 0.297 4.650 4.350 0.005 0.000 0.257 249 T C 1.137 175.786 174.700 -0.084 0.000 1.105 249 T CA 0.507 62.526 62.100 -0.135 0.000 1.104 249 T CB -0.450 68.376 68.868 -0.070 0.000 0.925 249 T HN 0.412 nan 8.240 nan 0.000 0.498 250 G N 0.380 109.105 108.800 -0.125 0.000 2.594 250 G HA2 0.400 4.364 3.960 0.005 0.000 0.243 250 G HA3 0.400 4.364 3.960 0.005 0.000 0.243 250 G C -0.264 174.399 174.900 -0.395 0.000 1.229 250 G CA -0.787 44.109 45.100 -0.340 0.000 0.843 250 G HN 0.473 nan 8.290 nan 0.000 0.578 251 F N -0.712 118.914 119.950 -0.540 0.000 3.056 251 F HA -0.219 4.311 4.527 0.005 0.000 0.301 251 F C 1.771 177.252 175.800 -0.532 0.000 0.907 251 F CA 1.028 58.686 58.000 -0.569 0.000 1.113 251 F CB -1.424 37.397 39.000 -0.299 0.000 1.123 251 F HN 1.555 nan 8.300 nan 0.000 0.661 252 G N -0.683 107.751 108.800 -0.610 0.000 2.199 252 G HA2 -0.433 3.531 3.960 0.005 0.000 0.254 252 G HA3 -0.433 3.531 3.960 0.005 0.000 0.254 252 G C 0.862 175.696 174.900 -0.110 0.000 0.982 252 G CA 0.644 45.339 45.100 -0.675 0.000 0.632 252 G HN 0.583 nan 8.290 nan 0.000 0.529 253 R N 1.392 121.957 120.500 0.108 0.000 2.105 253 R HA -0.045 4.298 4.340 0.005 0.000 0.239 253 R C 2.655 179.074 176.300 0.199 0.000 1.135 253 R CA 2.855 59.117 56.100 0.269 0.000 0.967 253 R CB -0.831 29.705 30.300 0.393 0.000 0.861 253 R HN 0.739 nan 8.270 nan 0.000 0.442 254 T N -4.056 110.601 114.554 0.171 0.000 3.144 254 T HA 0.317 4.670 4.350 0.005 0.000 0.249 254 T C 1.244 176.098 174.700 0.257 0.000 1.089 254 T CA 0.347 62.574 62.100 0.212 0.000 0.989 254 T CB 0.453 69.472 68.868 0.252 0.000 0.992 254 T HN 0.407 nan 8.240 nan 0.000 0.540 255 G N 0.924 109.850 108.800 0.210 0.000 2.238 255 G HA2 -0.167 3.797 3.960 0.005 0.000 0.217 255 G HA3 -0.167 3.797 3.960 0.005 0.000 0.217 255 G C -0.029 175.022 174.900 0.252 0.000 0.996 255 G CA -0.184 45.051 45.100 0.225 0.000 0.632 255 G HN 0.632 nan 8.290 nan 0.000 0.503 256 K N -0.405 120.071 120.400 0.126 0.000 2.281 256 K HA 0.654 4.977 4.320 0.005 0.000 0.242 256 K C 0.918 177.493 176.600 -0.042 0.000 0.971 256 K CA -0.816 55.504 56.287 0.056 0.000 0.834 256 K CB 2.245 34.547 32.500 -0.329 0.000 1.181 256 K HN 0.046 nan 8.250 nan 0.000 0.435 257 L N 0.984 122.165 121.223 -0.069 0.000 2.012 257 L HA -0.008 4.335 4.340 0.005 0.000 0.210 257 L C -0.151 176.153 176.870 -0.945 0.000 1.073 257 L CA 1.960 56.438 54.840 -0.603 0.000 0.748 257 L CB -0.015 41.824 42.059 -0.367 0.000 0.891 257 L HN 0.423 nan 8.230 nan 0.000 0.431 258 F N -2.308 117.538 119.950 -0.173 0.000 2.540 258 F HA 0.518 5.048 4.527 0.005 0.000 0.317 258 F C 1.030 176.767 175.800 -0.105 0.000 1.104 258 F CA -0.459 57.429 58.000 -0.186 0.000 0.913 258 F CB 1.188 40.072 39.000 -0.193 0.000 1.170 258 F HN -0.161 nan 8.300 nan 0.000 0.450 259 A N 0.560 123.453 122.820 0.121 0.000 2.070 259 A HA -0.137 4.186 4.320 0.005 0.000 0.220 259 A C 1.956 179.643 177.584 0.172 0.000 1.159 259 A CA 1.642 53.789 52.037 0.184 0.000 0.656 259 A CB -1.160 17.925 19.000 0.143 0.000 0.800 259 A HN 0.903 nan 8.150 nan 0.000 0.453 260 C N -0.344 119.026 119.300 0.116 0.000 2.410 260 C HA -0.110 4.353 4.460 0.005 0.000 0.281 260 C C 2.457 177.490 174.990 0.072 0.000 1.318 260 C CA 1.147 60.216 59.018 0.084 0.000 1.776 260 C CB -1.300 26.460 27.740 0.033 0.000 1.942 260 C HN 0.670 nan 8.230 nan 0.000 0.508 261 E N -0.452 119.775 120.200 0.046 0.000 2.265 261 E HA -0.216 4.137 4.350 0.005 0.000 0.196 261 E C 1.501 178.080 176.600 -0.034 0.000 0.996 261 E CA 1.056 57.452 56.400 -0.006 0.000 0.832 261 E CB -0.221 29.458 29.700 -0.035 0.000 0.756 261 E HN 0.778 nan 8.360 nan 0.000 0.491 262 H N -0.330 118.757 119.070 0.029 0.000 2.456 262 H HA -0.051 4.508 4.556 0.005 0.000 0.296 262 H C 1.714 177.046 175.328 0.006 0.000 1.079 262 H CA 1.282 57.334 56.048 0.007 0.000 1.322 262 H CB 0.192 29.942 29.762 -0.018 0.000 1.388 262 H HN 0.154 nan 8.280 nan 0.000 0.538 263 A N -0.060 122.839 122.820 0.131 0.000 2.390 263 A HA 0.117 4.440 4.320 0.005 0.000 0.232 263 A C 0.401 178.014 177.584 0.048 0.000 1.233 263 A CA 0.083 52.171 52.037 0.085 0.000 0.907 263 A CB 0.306 19.365 19.000 0.099 0.000 0.967 263 A HN 0.439 nan 8.150 nan 0.000 0.512 264 E N -0.926 119.298 120.200 0.040 0.000 2.389 264 E HA -0.223 4.130 4.350 0.005 0.000 0.243 264 E C -0.317 176.294 176.600 0.018 0.000 1.154 264 E CA 0.729 57.143 56.400 0.022 0.000 0.723 264 E CB -1.845 27.864 29.700 0.016 0.000 1.261 264 E HN 0.872 nan 8.360 nan 0.000 0.390 265 I N -3.580 117.004 120.570 0.022 0.000 2.957 265 I HA 0.842 5.015 4.170 0.005 0.000 0.310 265 I C -0.409 175.706 176.117 -0.002 0.000 1.063 265 I CA -0.991 60.317 61.300 0.012 0.000 1.033 265 I CB 2.199 40.213 38.000 0.023 0.000 1.230 265 I HN -0.051 nan 8.210 nan 0.000 0.447 266 A N 3.367 126.177 122.820 -0.018 0.000 2.356 266 A HA 0.935 5.258 4.320 0.005 0.000 0.310 266 A C -2.760 174.794 177.584 -0.050 0.000 1.075 266 A CA -1.552 50.458 52.037 -0.045 0.000 0.746 266 A CB 0.799 19.768 19.000 -0.052 0.000 1.221 266 A HN 0.656 nan 8.150 nan 0.000 0.443 267 P HA 0.284 nan 4.420 nan 0.000 0.278 267 P C -0.416 176.826 177.300 -0.097 0.000 1.266 267 P CA -0.236 62.819 63.100 -0.074 0.000 0.807 267 P CB 1.051 32.699 31.700 -0.087 0.000 1.094 268 D N -0.322 120.013 120.400 -0.108 0.000 2.194 268 D HA 0.081 4.724 4.640 0.005 0.000 0.204 268 D C 0.655 176.853 176.300 -0.170 0.000 0.964 268 D CA 1.347 55.258 54.000 -0.150 0.000 0.846 268 D CB 0.337 41.025 40.800 -0.188 0.000 0.962 268 D HN 0.336 nan 8.370 nan 0.000 0.490 269 I N 0.945 121.423 120.570 -0.154 0.000 2.533 269 I HA 0.252 4.425 4.170 0.005 0.000 0.290 269 I C -1.195 174.835 176.117 -0.144 0.000 1.056 269 I CA -0.963 60.241 61.300 -0.160 0.000 1.057 269 I CB 2.881 40.781 38.000 -0.166 0.000 1.240 269 I HN -0.230 nan 8.210 nan 0.000 0.423 270 L N 6.841 127.973 121.223 -0.151 0.000 2.381 270 L HA 0.622 4.965 4.340 0.005 0.000 0.274 270 L C -1.062 175.730 176.870 -0.130 0.000 0.988 270 L CA -0.031 54.712 54.840 -0.161 0.000 0.824 270 L CB 1.370 43.290 42.059 -0.232 0.000 1.263 270 L HN 0.662 nan 8.230 nan 0.000 0.410 271 C N 5.583 124.819 119.300 -0.107 0.000 2.319 271 C HA 0.745 5.208 4.460 0.005 0.000 0.335 271 C C -0.131 174.833 174.990 -0.043 0.000 1.274 271 C CA -0.859 58.119 59.018 -0.066 0.000 1.806 271 C CB 0.376 28.079 27.740 -0.062 0.000 2.329 271 C HN 0.725 nan 8.230 nan 0.000 0.524 272 L N 2.706 123.937 121.223 0.014 0.000 2.388 272 L HA 0.937 5.280 4.340 0.005 0.000 0.264 272 L C 0.351 177.302 176.870 0.135 0.000 0.998 272 L CA -0.073 54.823 54.840 0.093 0.000 0.817 272 L CB 2.098 44.266 42.059 0.181 0.000 1.338 272 L HN 0.887 nan 8.230 nan 0.000 0.414 276 L N 1.532 122.643 121.223 -0.188 0.000 2.021 276 L HA -0.129 4.214 4.340 0.005 0.000 0.215 276 L C 2.187 178.861 176.870 -0.326 0.000 1.074 276 L CA 3.430 58.012 54.840 -0.430 0.000 0.760 276 L CB -0.572 41.462 42.059 -0.042 0.000 0.889 276 L HN 0.622 nan 8.230 nan 0.000 0.433 277 T N -3.571 110.885 114.554 -0.163 0.000 3.144 277 T HA 0.381 4.734 4.350 0.005 0.000 0.249 277 T C 1.290 175.925 174.700 -0.107 0.000 1.089 277 T CA 0.197 62.228 62.100 -0.116 0.000 0.989 277 T CB -0.476 68.357 68.868 -0.060 0.000 0.992 277 T HN 0.743 nan 8.240 nan 0.000 0.540 278 G N 1.091 109.801 108.800 -0.149 0.000 2.179 278 G HA2 0.066 4.029 3.960 0.005 0.000 0.257 278 G HA3 0.066 4.029 3.960 0.005 0.000 0.257 278 G C 0.956 175.773 174.900 -0.137 0.000 1.010 278 G CA 0.127 45.148 45.100 -0.132 0.000 0.736 278 G HN 1.792 nan 8.290 nan 0.000 0.513 279 G N -1.496 107.245 108.800 -0.098 0.000 2.273 279 G HA2 -0.015 3.948 3.960 0.005 0.000 0.280 279 G HA3 -0.015 3.948 3.960 0.005 0.000 0.280 279 G C 1.161 176.039 174.900 -0.035 0.000 1.047 279 G CA 1.720 46.787 45.100 -0.055 0.000 0.869 279 G HN 2.148 nan 8.290 nan 0.000 0.502 280 T N -3.259 111.278 114.554 -0.028 0.000 3.040 280 T HA 0.544 4.897 4.350 0.005 0.000 0.252 280 T C 1.028 175.729 174.700 0.001 0.000 1.064 280 T CA 1.404 63.499 62.100 -0.009 0.000 1.110 280 T CB 0.078 68.936 68.868 -0.017 0.000 0.921 280 T HN 1.632 nan 8.240 nan 0.000 0.480 281 M N -0.856 118.742 119.600 -0.003 0.000 2.956 281 M HA 0.462 4.945 4.480 0.005 0.000 0.272 281 M C -1.333 174.966 176.300 -0.002 0.000 1.132 281 M CA -0.927 54.369 55.300 -0.007 0.000 0.805 281 M CB 1.481 34.065 32.600 -0.026 0.000 1.639 281 M HN -0.184 nan 8.290 nan 0.000 0.520 282 T N 1.477 116.028 114.554 -0.006 0.000 2.869 282 T HA 0.687 5.040 4.350 0.005 0.000 0.295 282 T C -1.177 173.524 174.700 0.002 0.000 0.987 282 T CA -0.119 61.987 62.100 0.009 0.000 1.109 282 T CB 0.345 69.221 68.868 0.012 0.000 0.932 282 T HN 0.613 nan 8.240 nan 0.000 0.518 283 L N 3.884 125.119 121.223 0.021 0.000 2.724 283 L HA 0.696 5.039 4.340 0.005 0.000 0.258 283 L C -1.066 175.834 176.870 0.050 0.000 0.967 283 L CA -0.205 54.651 54.840 0.026 0.000 0.891 283 L CB 2.031 44.094 42.059 0.007 0.000 1.456 283 L HN 0.798 nan 8.230 nan 0.000 0.416 284 S N 1.934 117.673 115.700 0.065 0.000 2.638 284 S HA 1.054 5.527 4.470 0.005 0.000 0.274 284 S C -1.193 173.464 174.600 0.095 0.000 1.157 284 S CA -0.151 58.100 58.200 0.085 0.000 0.826 284 S CB 1.848 65.098 63.200 0.082 0.000 1.139 284 S HN 1.717 nan 8.310 nan 0.000 0.474 285 A N 0.620 123.502 122.820 0.104 0.000 2.547 285 A HA 0.775 5.098 4.320 0.005 0.000 0.297 285 A C -0.804 176.827 177.584 0.079 0.000 1.056 285 A CA -0.708 51.393 52.037 0.106 0.000 0.688 285 A CB 1.626 20.686 19.000 0.101 0.000 1.282 285 A HN 0.842 nan 8.150 nan 0.000 0.400 286 T N 2.566 117.176 114.554 0.094 0.000 2.815 286 T HA 0.560 4.913 4.350 0.005 0.000 0.289 286 T C -0.718 173.984 174.700 0.004 0.000 1.000 286 T CA -0.129 61.981 62.100 0.017 0.000 0.958 286 T CB 0.450 69.306 68.868 -0.019 0.000 0.944 286 T HN 0.412 nan 8.240 nan 0.000 0.442 287 L N 2.609 123.798 121.223 -0.056 0.000 2.322 287 L HA 0.806 5.149 4.340 0.005 0.000 0.279 287 L C 0.677 177.478 176.870 -0.115 0.000 1.036 287 L CA -0.075 54.722 54.840 -0.072 0.000 0.807 287 L CB 1.974 43.975 42.059 -0.096 0.000 1.226 287 L HN 0.623 nan 8.230 nan 0.000 0.433 288 T N -0.625 113.861 114.554 -0.113 0.000 2.696 288 T HA 0.606 4.959 4.350 0.005 0.000 0.291 288 T C -0.544 174.083 174.700 -0.122 0.000 1.095 288 T CA -0.128 61.884 62.100 -0.147 0.000 1.026 288 T CB 1.347 70.095 68.868 -0.201 0.000 1.390 288 T HN 0.741 nan 8.240 nan 0.000 0.513 289 T N -0.380 114.090 114.554 -0.139 0.000 2.874 289 T HA 0.425 4.778 4.350 0.005 0.000 0.281 289 T C 1.205 175.852 174.700 -0.088 0.000 0.994 289 T CA -0.548 61.487 62.100 -0.108 0.000 1.015 289 T CB 1.061 69.859 68.868 -0.117 0.000 1.028 289 T HN 0.640 nan 8.240 nan 0.000 0.523 290 R N 0.297 120.762 120.500 -0.059 0.000 2.081 290 R HA -0.118 4.225 4.340 0.005 0.000 0.235 290 R C 2.347 178.627 176.300 -0.033 0.000 1.131 290 R CA 1.848 57.925 56.100 -0.039 0.000 0.960 290 R CB -0.499 29.786 30.300 -0.026 0.000 0.856 290 R HN 0.891 nan 8.270 nan 0.000 0.436 291 E N -0.123 120.055 120.200 -0.037 0.000 2.058 291 E HA -0.167 4.186 4.350 0.005 0.000 0.194 291 E C 1.713 178.328 176.600 0.025 0.000 0.997 291 E CA 2.110 58.507 56.400 -0.006 0.000 0.801 291 E CB -0.423 29.270 29.700 -0.010 0.000 0.746 291 E HN 0.173 nan 8.360 nan 0.000 0.450 292 V N 0.955 120.822 119.914 -0.077 0.000 2.261 292 V HA -0.237 3.886 4.120 0.005 0.000 0.246 292 V C 2.483 178.556 176.094 -0.035 0.000 1.047 292 V CA 1.987 64.219 62.300 -0.113 0.000 1.015 292 V CB -1.078 30.537 31.823 -0.348 0.000 0.642 292 V HN 0.517 nan 8.190 nan 0.000 0.446 293 A N -0.529 122.249 122.820 -0.071 0.000 1.902 293 A HA -0.238 4.085 4.320 0.005 0.000 0.217 293 A C 2.169 179.752 177.584 -0.001 0.000 1.181 293 A CA 1.924 53.931 52.037 -0.049 0.000 0.623 293 A CB -0.436 18.538 19.000 -0.043 0.000 0.818 293 A HN 0.647 nan 8.150 nan 0.000 0.443 294 E N -0.973 119.228 120.200 0.002 0.000 2.072 294 E HA -0.097 4.256 4.350 0.005 0.000 0.190 294 E C 2.074 178.677 176.600 0.006 0.000 0.982 294 E CA 1.371 57.775 56.400 0.007 0.000 0.803 294 E CB -0.323 29.378 29.700 0.000 0.000 0.755 294 E HN 0.571 nan 8.360 nan 0.000 0.453 295 T N 1.813 116.373 114.554 0.010 0.000 2.684 295 T HA -0.166 4.187 4.350 0.005 0.000 0.267 295 T C 1.997 176.679 174.700 -0.030 0.000 1.036 295 T CA 1.045 63.123 62.100 -0.037 0.000 1.148 295 T CB -0.229 68.588 68.868 -0.085 0.000 0.863 295 T HN 0.114 nan 8.240 nan 0.000 0.436 296 I N 0.920 121.504 120.570 0.023 0.000 2.163 296 I HA -0.173 4.000 4.170 0.005 0.000 0.243 296 I C 2.633 178.786 176.117 0.061 0.000 1.085 296 I CA 1.067 62.399 61.300 0.054 0.000 1.347 296 I CB -0.373 37.684 38.000 0.095 0.000 1.044 296 I HN 0.162 nan 8.210 nan 0.000 0.408 297 S N 0.654 116.389 115.700 0.059 0.000 2.474 297 S HA -0.081 4.392 4.470 0.005 0.000 0.235 297 S C 1.521 176.138 174.600 0.029 0.000 0.997 297 S CA 0.874 59.108 58.200 0.057 0.000 0.949 297 S CB -0.268 62.965 63.200 0.054 0.000 0.766 297 S HN 0.427 nan 8.310 nan 0.000 0.517 298 N N 1.012 119.718 118.700 0.010 0.000 2.373 298 N HA 0.122 4.865 4.740 0.005 0.000 0.181 298 N C 0.898 176.403 175.510 -0.009 0.000 1.082 298 N CA 0.148 53.196 53.050 -0.004 0.000 0.885 298 N CB -0.144 38.333 38.487 -0.017 0.000 0.977 298 N HN 0.348 nan 8.380 nan 0.000 0.462 299 G N 0.331 109.127 108.800 -0.006 0.000 2.621 299 G HA2 0.045 4.008 3.960 0.005 0.000 0.271 299 G HA3 0.045 4.008 3.960 0.005 0.000 0.271 299 G C 0.795 175.699 174.900 0.006 0.000 1.236 299 G CA -0.342 44.754 45.100 -0.006 0.000 0.958 299 G HN 0.069 nan 8.290 nan 0.000 0.512 300 E N -0.386 119.817 120.200 0.006 0.000 2.136 300 E HA -0.291 4.062 4.350 0.005 0.000 0.202 300 E C 2.702 179.309 176.600 0.011 0.000 1.019 300 E CA 1.508 57.912 56.400 0.007 0.000 0.819 300 E CB -0.147 29.558 29.700 0.008 0.000 0.739 300 E HN 0.456 nan 8.360 nan 0.000 0.458 301 A N -0.152 122.680 122.820 0.019 0.000 2.014 301 A HA 0.102 4.425 4.320 0.005 0.000 0.218 301 A C 2.049 179.647 177.584 0.023 0.000 1.163 301 A CA 1.304 53.353 52.037 0.020 0.000 0.652 301 A CB -0.399 18.616 19.000 0.026 0.000 0.808 301 A HN 0.406 nan 8.150 nan 0.000 0.449 302 G N -2.178 106.640 108.800 0.029 0.000 2.179 302 G HA2 -0.281 3.682 3.960 0.005 0.000 0.260 302 G HA3 -0.281 3.682 3.960 0.005 0.000 0.260 302 G C 0.514 175.443 174.900 0.048 0.000 0.977 302 G CA 0.718 45.836 45.100 0.030 0.000 0.641 302 G HN 2.120 nan 8.290 nan 0.000 0.533 303 C N -3.051 116.291 119.300 0.070 0.000 3.259 303 C HA 0.706 5.169 4.460 0.005 0.000 0.344 303 C C -0.309 174.786 174.990 0.175 0.000 1.401 303 C CA -1.476 57.609 59.018 0.113 0.000 1.219 303 C CB 0.746 28.540 27.740 0.090 0.000 1.521 303 C HN 1.294 nan 8.230 nan 0.000 0.455 304 F N 2.885 122.878 119.950 0.070 0.000 2.445 304 F HA 0.603 5.133 4.527 0.006 0.000 0.359 304 F C 0.606 176.464 175.800 0.095 0.000 1.101 304 F CA -1.179 56.860 58.000 0.066 0.000 1.177 304 F CB 0.876 39.916 39.000 0.066 0.000 1.110 304 F HN 0.584 nan 8.300 nan 0.000 0.522 305 M N 7.479 126.802 119.600 -0.462 0.000 3.436 305 M HA 0.125 4.609 4.480 0.005 0.000 0.240 305 M C -1.025 174.951 176.300 -0.540 0.000 1.469 305 M CA 0.502 55.578 55.300 -0.372 0.000 1.622 305 M CB -1.653 30.830 32.600 -0.195 0.000 1.098 305 M HN 0.728 nan 8.290 nan 0.000 0.568 306 H N -1.037 117.669 119.070 -0.607 0.000 3.064 306 H HA 0.632 5.192 4.556 0.006 0.000 0.352 306 H C -0.541 174.860 175.328 0.122 0.000 1.260 306 H CA -0.236 55.594 56.048 -0.363 0.000 1.160 306 H CB 1.952 31.273 29.762 -0.735 0.000 1.879 306 H HN 0.524 nan 8.280 nan 0.000 0.544 307 G N 3.686 112.641 108.800 0.259 0.000 3.163 307 G HA2 0.172 4.135 3.960 0.005 0.000 0.266 307 G HA3 0.172 4.135 3.960 0.005 0.000 0.266 307 G C -3.119 171.889 174.900 0.180 0.000 3.692 307 G CA -0.886 44.411 45.100 0.329 0.000 0.490 307 G HN 0.424 nan 8.290 nan 0.000 0.318 308 P HA 0.337 nan 4.420 nan 0.000 0.271 308 P C 1.391 178.763 177.300 0.121 0.000 1.218 308 P CA -0.198 63.010 63.100 0.180 0.000 0.780 308 P CB 0.989 32.851 31.700 0.270 0.000 0.901 309 T N 0.638 115.227 114.554 0.058 0.000 2.653 309 T HA -0.172 4.181 4.350 0.005 0.000 0.268 309 T C 0.897 175.496 174.700 -0.168 0.000 1.035 309 T CA 1.696 63.741 62.100 -0.092 0.000 1.154 309 T CB -0.709 68.038 68.868 -0.202 0.000 0.862 309 T HN 0.371 nan 8.240 nan 0.000 0.441 310 F N 0.652 120.624 119.950 0.038 0.000 2.663 310 F HA 0.420 4.949 4.527 0.004 0.000 0.299 310 F C 0.795 176.635 175.800 0.066 0.000 1.143 310 F CA -0.651 57.338 58.000 -0.018 0.000 1.387 310 F CB -0.554 38.332 39.000 -0.190 0.000 1.019 310 F HN 0.107 nan 8.300 nan 0.000 0.523 311 M N 0.430 120.134 119.600 0.172 0.000 2.261 311 M HA 0.164 4.648 4.480 0.005 0.000 0.350 311 M C 1.358 177.536 176.300 -0.204 0.000 1.343 311 M CA 1.432 56.745 55.300 0.021 0.000 1.003 311 M CB 0.149 32.769 32.600 0.034 0.000 1.848 311 M HN 0.500 nan 8.290 nan 0.000 0.456 312 G N 3.355 111.911 108.800 -0.407 0.000 2.155 312 G HA2 -0.345 3.618 3.960 0.005 0.000 0.257 312 G HA3 -0.345 3.618 3.960 0.005 0.000 0.257 312 G C 0.010 174.826 174.900 -0.141 0.000 0.983 312 G CA 0.544 45.226 45.100 -0.698 0.000 0.676 312 G HN 1.006 nan 8.290 nan 0.000 0.528 313 N N 1.072 119.815 118.700 0.071 0.000 2.160 313 N HA 0.127 4.870 4.740 0.005 0.000 0.283 313 N C -0.233 175.326 175.510 0.082 0.000 1.363 313 N CA -0.073 53.117 53.050 0.234 0.000 0.848 313 N CB 0.598 39.193 38.487 0.180 0.000 1.127 313 N HN 0.172 nan 8.380 nan 0.000 0.493 314 P HA -0.210 nan 4.420 nan 0.000 0.216 314 P C 1.468 178.739 177.300 -0.049 0.000 1.157 314 P CA 0.745 63.728 63.100 -0.195 0.000 0.880 314 P CB 0.103 31.558 31.700 -0.407 0.000 0.791 315 L N -0.358 120.859 121.223 -0.010 0.000 2.017 315 L HA -0.117 4.226 4.340 0.005 0.000 0.208 315 L C 2.226 179.090 176.870 -0.010 0.000 1.073 315 L CA 2.277 57.112 54.840 -0.008 0.000 0.745 315 L CB -1.613 40.446 42.059 -0.000 0.000 0.894 315 L HN -0.108 nan 8.230 nan 0.000 0.432 316 A N -1.554 121.263 122.820 -0.005 0.000 1.930 316 A HA -0.203 4.120 4.320 0.005 0.000 0.217 316 A C 2.381 179.957 177.584 -0.012 0.000 1.175 316 A CA 1.637 53.665 52.037 -0.014 0.000 0.627 316 A CB -1.437 17.553 19.000 -0.015 0.000 0.815 316 A HN 0.635 nan 8.150 nan 0.000 0.443 317 C N -0.980 118.321 119.300 0.003 0.000 2.425 317 C HA 0.051 4.514 4.460 0.005 0.000 0.277 317 C C 3.288 178.282 174.990 0.006 0.000 1.280 317 C CA 0.762 59.788 59.018 0.012 0.000 1.744 317 C CB -1.307 26.468 27.740 0.058 0.000 1.989 317 C HN 0.702 nan 8.230 nan 0.000 0.491 318 A N 0.471 123.293 122.820 0.003 0.000 1.898 318 A HA 0.100 4.423 4.320 0.005 0.000 0.216 318 A C 2.358 179.929 177.584 -0.022 0.000 1.181 318 A CA 1.965 54.000 52.037 -0.005 0.000 0.620 318 A CB -0.828 18.167 19.000 -0.007 0.000 0.819 318 A HN 0.554 nan 8.150 nan 0.000 0.442 319 A N -0.002 122.801 122.820 -0.028 0.000 1.877 319 A HA 0.155 4.478 4.320 0.005 0.000 0.216 319 A C 2.531 180.076 177.584 -0.065 0.000 1.186 319 A CA 2.154 54.166 52.037 -0.043 0.000 0.620 319 A CB -1.111 17.867 19.000 -0.037 0.000 0.822 319 A HN 1.062 nan 8.150 nan 0.000 0.443 320 A N 0.410 123.190 122.820 -0.066 0.000 1.908 320 A HA -0.223 4.100 4.320 0.005 0.000 0.218 320 A C 1.947 179.474 177.584 -0.094 0.000 1.181 320 A CA 1.770 53.747 52.037 -0.100 0.000 0.627 320 A CB -0.714 18.236 19.000 -0.083 0.000 0.818 320 A HN 0.599 nan 8.150 nan 0.000 0.445 321 N N 0.507 119.176 118.700 -0.053 0.000 2.104 321 N HA -0.152 4.591 4.740 0.005 0.000 0.190 321 N C 1.935 177.412 175.510 -0.054 0.000 1.024 321 N CA 1.615 54.644 53.050 -0.035 0.000 0.853 321 N CB -0.544 37.938 38.487 -0.008 0.000 1.008 321 N HN 0.491 nan 8.380 nan 0.000 0.424 322 A N 0.501 123.281 122.820 -0.068 0.000 1.933 322 A HA -0.114 4.209 4.320 0.005 0.000 0.218 322 A C 2.506 179.990 177.584 -0.168 0.000 1.175 322 A CA 1.831 53.810 52.037 -0.096 0.000 0.628 322 A CB -0.742 18.205 19.000 -0.088 0.000 0.814 322 A HN 0.331 nan 8.150 nan 0.000 0.444 323 S N -0.380 115.223 115.700 -0.162 0.000 2.355 323 S HA -0.086 4.387 4.470 0.005 0.000 0.222 323 S C 1.943 176.480 174.600 -0.105 0.000 1.031 323 S CA 1.401 59.507 58.200 -0.156 0.000 0.993 323 S CB -0.480 62.679 63.200 -0.069 0.000 0.859 323 S HN 0.495 nan 8.310 nan 0.000 0.453 324 L N 1.086 122.242 121.223 -0.112 0.000 2.083 324 L HA -0.050 4.293 4.340 0.005 0.000 0.209 324 L C 2.970 179.832 176.870 -0.013 0.000 1.083 324 L CA 1.139 55.942 54.840 -0.062 0.000 0.752 324 L CB -0.768 41.269 42.059 -0.038 0.000 0.899 324 L HN 0.423 nan 8.230 nan 0.000 0.433 325 A N 0.487 123.283 122.820 -0.039 0.000 1.933 325 A HA -0.180 4.144 4.320 0.005 0.000 0.218 325 A C 2.204 179.777 177.584 -0.019 0.000 1.175 325 A CA 1.472 53.498 52.037 -0.018 0.000 0.628 325 A CB -0.607 18.374 19.000 -0.031 0.000 0.814 325 A HN 0.351 nan 8.150 nan 0.000 0.444 326 I N -0.293 120.218 120.570 -0.099 0.000 2.226 326 I HA -0.263 3.910 4.170 0.005 0.000 0.245 326 I C 2.251 178.416 176.117 0.080 0.000 1.100 326 I CA 1.134 62.373 61.300 -0.102 0.000 1.374 326 I CB -0.310 37.424 38.000 -0.444 0.000 1.057 326 I HN 0.284 nan 8.210 nan 0.000 0.413 327 L N 0.154 121.456 121.223 0.132 0.000 2.201 327 L HA -0.181 4.162 4.340 0.005 0.000 0.212 327 L C 2.373 179.433 176.870 0.318 0.000 1.105 327 L CA 1.160 56.168 54.840 0.279 0.000 0.775 327 L CB -0.624 41.489 42.059 0.091 0.000 0.913 327 L HN 0.278 nan 8.230 nan 0.000 0.440 328 E N 0.078 120.386 120.200 0.180 0.000 2.209 328 E HA -0.226 4.127 4.350 0.005 0.000 0.196 328 E C 2.296 178.983 176.600 0.145 0.000 0.993 328 E CA 1.476 57.971 56.400 0.157 0.000 0.819 328 E CB -0.047 29.710 29.700 0.096 0.000 0.745 328 E HN 0.561 nan 8.360 nan 0.000 0.477 329 S N -0.565 115.215 115.700 0.134 0.000 2.419 329 S HA -0.114 4.360 4.470 0.005 0.000 0.235 329 S C 1.844 176.485 174.600 0.068 0.000 1.019 329 S CA 1.126 59.381 58.200 0.092 0.000 0.982 329 S CB -0.260 62.991 63.200 0.086 0.000 0.789 329 S HN 0.430 nan 8.310 nan 0.000 0.490 330 G N 0.960 109.831 108.800 0.118 0.000 2.176 330 G HA2 -0.274 3.690 3.960 0.005 0.000 0.253 330 G HA3 -0.274 3.690 3.960 0.005 0.000 0.253 330 G C 0.415 175.144 174.900 -0.285 0.000 0.979 330 G CA 0.487 45.524 45.100 -0.104 0.000 0.641 330 G HN 0.518 nan 8.290 nan 0.000 0.530 331 D N 0.163 120.535 120.400 -0.048 0.000 2.182 331 D HA -0.107 4.537 4.640 0.005 0.000 0.201 331 D C 2.306 178.577 176.300 -0.048 0.000 0.986 331 D CA 1.463 55.443 54.000 -0.033 0.000 0.847 331 D CB -0.468 40.378 40.800 0.076 0.000 0.942 331 D HN 0.859 nan 8.370 nan 0.000 0.467 332 W N 1.489 122.822 121.300 0.055 0.000 2.350 332 W HA -0.199 4.464 4.660 0.006 0.000 0.289 332 W C 1.431 177.879 176.519 -0.119 0.000 1.215 332 W CA 0.582 57.927 57.345 0.001 0.000 1.236 332 W CB -0.990 28.518 29.460 0.080 0.000 1.130 332 W HN 0.082 nan 8.180 nan 0.000 0.541 333 Q N 0.837 119.950 119.800 -1.145 0.000 2.061 333 Q HA -0.292 4.052 4.340 0.005 0.000 0.204 333 Q C 2.362 178.111 176.000 -0.419 0.000 0.984 333 Q CA 2.392 57.561 55.803 -1.057 0.000 0.846 333 Q CB -0.456 27.628 28.738 -1.090 0.000 0.902 333 Q HN 0.269 nan 8.270 nan 0.000 0.421 334 Q N 0.836 120.452 119.800 -0.306 0.000 2.079 334 Q HA -0.157 4.186 4.340 0.005 0.000 0.200 334 Q C 1.867 177.811 176.000 -0.093 0.000 0.974 334 Q CA 1.577 57.283 55.803 -0.161 0.000 0.840 334 Q CB 0.078 28.745 28.738 -0.119 0.000 0.898 334 Q HN 0.338 nan 8.270 nan 0.000 0.430 335 Q N -0.978 118.784 119.800 -0.064 0.000 2.020 335 Q HA -0.134 4.209 4.340 0.005 0.000 0.202 335 Q C 2.104 178.083 176.000 -0.035 0.000 0.982 335 Q CA 1.841 57.642 55.803 -0.003 0.000 0.838 335 Q CB -0.082 28.705 28.738 0.081 0.000 0.899 335 Q HN 0.264 nan 8.270 nan 0.000 0.423 336 V N 0.888 120.741 119.914 -0.103 0.000 2.343 336 V HA -0.280 3.843 4.120 0.005 0.000 0.247 336 V C 2.252 178.319 176.094 -0.045 0.000 1.051 336 V CA 1.752 63.983 62.300 -0.115 0.000 1.036 336 V CB -1.006 30.735 31.823 -0.136 0.000 0.654 336 V HN 0.414 nan 8.190 nan 0.000 0.451 337 A N -0.003 122.781 122.820 -0.060 0.000 1.883 337 A HA -0.276 4.047 4.320 0.005 0.000 0.217 337 A C 2.004 179.576 177.584 -0.021 0.000 1.186 337 A CA 2.187 54.199 52.037 -0.041 0.000 0.624 337 A CB -0.663 18.296 19.000 -0.068 0.000 0.822 337 A HN 0.539 nan 8.150 nan 0.000 0.444 338 D N -0.150 120.237 120.400 -0.022 0.000 2.117 338 D HA -0.093 4.550 4.640 0.005 0.000 0.197 338 D C 1.841 178.146 176.300 0.008 0.000 0.987 338 D CA 1.070 55.067 54.000 -0.005 0.000 0.829 338 D CB -0.342 40.456 40.800 -0.002 0.000 0.961 338 D HN 0.524 nan 8.370 nan 0.000 0.460 339 I N 0.927 121.505 120.570 0.014 0.000 2.226 339 I HA -0.235 3.938 4.170 0.005 0.000 0.245 339 I C 2.457 178.590 176.117 0.027 0.000 1.100 339 I CA 1.029 62.346 61.300 0.029 0.000 1.374 339 I CB -0.135 37.892 38.000 0.046 0.000 1.057 339 I HN 0.014 nan 8.210 nan 0.000 0.413 340 E N 0.832 121.045 120.200 0.022 0.000 2.038 340 E HA -0.219 4.134 4.350 0.005 0.000 0.195 340 E C 2.301 178.913 176.600 0.021 0.000 1.000 340 E CA 1.843 58.259 56.400 0.026 0.000 0.803 340 E CB 0.083 29.798 29.700 0.026 0.000 0.750 340 E HN 0.254 nan 8.360 nan 0.000 0.448 341 V N 1.055 120.978 119.914 0.014 0.000 2.343 341 V HA -0.285 3.838 4.120 0.005 0.000 0.247 341 V C 2.596 178.700 176.094 0.015 0.000 1.051 341 V CA 2.280 64.587 62.300 0.013 0.000 1.036 341 V CB -0.657 31.170 31.823 0.007 0.000 0.654 341 V HN 0.404 nan 8.190 nan 0.000 0.451 342 Q N -0.495 119.315 119.800 0.016 0.000 2.124 342 Q HA -0.174 4.169 4.340 0.005 0.000 0.202 342 Q C 2.241 178.254 176.000 0.020 0.000 0.977 342 Q CA 1.632 57.446 55.803 0.018 0.000 0.850 342 Q CB -0.120 28.629 28.738 0.019 0.000 0.901 342 Q HN 0.610 nan 8.270 nan 0.000 0.429 343 L N -0.011 121.226 121.223 0.023 0.000 2.056 343 L HA -0.187 4.156 4.340 0.005 0.000 0.207 343 L C 2.676 179.562 176.870 0.026 0.000 1.078 343 L CA 1.283 56.138 54.840 0.026 0.000 0.749 343 L CB -0.346 41.731 42.059 0.031 0.000 0.901 343 L HN 0.203 nan 8.230 nan 0.000 0.433 344 R N -0.155 120.360 120.500 0.024 0.000 2.080 344 R HA -0.233 4.110 4.340 0.005 0.000 0.236 344 R C 2.218 178.531 176.300 0.021 0.000 1.137 344 R CA 1.854 57.968 56.100 0.023 0.000 0.943 344 R CB -0.430 29.882 30.300 0.020 0.000 0.846 344 R HN 0.412 nan 8.270 nan 0.000 0.431 345 E N 0.982 121.193 120.200 0.019 0.000 2.077 345 E HA -0.216 4.137 4.350 0.005 0.000 0.193 345 E C 1.877 178.489 176.600 0.020 0.000 0.989 345 E CA 1.263 57.674 56.400 0.018 0.000 0.800 345 E CB 0.180 29.890 29.700 0.016 0.000 0.746 345 E HN 0.393 nan 8.360 nan 0.000 0.452 346 Q N -0.414 119.400 119.800 0.022 0.000 2.398 346 Q HA 0.056 4.399 4.340 0.005 0.000 0.204 346 Q C 2.061 178.079 176.000 0.030 0.000 0.932 346 Q CA 0.350 56.169 55.803 0.025 0.000 0.916 346 Q CB 0.407 29.159 28.738 0.024 0.000 1.024 346 Q HN 0.349 nan 8.270 nan 0.000 0.504 347 L N -0.271 120.970 121.223 0.030 0.000 2.477 347 L HA 0.137 4.480 4.340 0.005 0.000 0.220 347 L C 2.300 179.190 176.870 0.032 0.000 1.106 347 L CA 0.163 55.024 54.840 0.036 0.000 0.851 347 L CB -0.310 41.772 42.059 0.038 0.000 0.994 347 L HN 0.139 nan 8.230 nan 0.000 0.462 348 A N 1.518 124.354 122.820 0.027 0.000 1.903 348 A HA -0.165 4.158 4.320 0.005 0.000 0.219 348 A C -0.095 177.501 177.584 0.020 0.000 1.191 348 A CA 1.848 53.898 52.037 0.022 0.000 0.638 348 A CB -1.772 17.239 19.000 0.019 0.000 0.823 348 A HN 0.269 nan 8.150 nan 0.000 0.451 349 P HA -0.114 nan 4.420 nan 0.000 0.218 349 P C 1.572 178.885 177.300 0.021 0.000 1.148 349 P CA 1.704 64.816 63.100 0.021 0.000 0.822 349 P CB -0.163 31.552 31.700 0.025 0.000 0.784 350 A N 0.068 122.905 122.820 0.029 0.000 2.024 350 A HA -0.228 4.095 4.320 0.005 0.000 0.220 350 A C 2.169 179.761 177.584 0.013 0.000 1.164 350 A CA 1.306 53.361 52.037 0.030 0.000 0.643 350 A CB -1.059 17.969 19.000 0.048 0.000 0.806 350 A HN 0.123 nan 8.150 nan 0.000 0.451 351 R N -0.280 120.226 120.500 0.011 0.000 2.200 351 R HA -0.112 4.231 4.340 0.005 0.000 0.234 351 R C 0.540 176.834 176.300 -0.011 0.000 1.127 351 R CA 1.315 57.415 56.100 0.001 0.000 0.989 351 R CB -0.192 30.110 30.300 0.004 0.000 0.869 351 R HN 0.497 nan 8.270 nan 0.000 0.459 352 D N 0.033 120.428 120.400 -0.009 0.000 2.350 352 D HA 0.085 4.728 4.640 0.005 0.000 0.213 352 D C 0.211 176.495 176.300 -0.027 0.000 1.031 352 D CA 0.185 54.175 54.000 -0.016 0.000 0.861 352 D CB 0.308 41.103 40.800 -0.009 0.000 0.926 352 D HN 0.140 nan 8.370 nan 0.000 0.520 353 A N 0.910 123.714 122.820 -0.027 0.000 2.425 353 A HA 0.058 4.381 4.320 0.005 0.000 0.249 353 A C 1.351 178.886 177.584 -0.081 0.000 1.084 353 A CA -0.225 51.786 52.037 -0.043 0.000 0.781 353 A CB 0.831 19.816 19.000 -0.025 0.000 1.019 353 A HN -0.013 nan 8.150 nan 0.000 0.490 354 E N 1.406 121.543 120.200 -0.104 0.000 2.110 354 E HA -0.158 4.195 4.350 0.005 0.000 0.193 354 E C 1.072 177.537 176.600 -0.226 0.000 0.988 354 E CA 1.181 57.496 56.400 -0.142 0.000 0.804 354 E CB -0.087 29.534 29.700 -0.132 0.000 0.745 354 E HN 0.715 nan 8.360 nan 0.000 0.458 355 M N 0.453 119.878 119.600 -0.291 0.000 2.659 355 M HA 0.046 4.530 4.480 0.005 0.000 0.243 355 M C 0.137 176.226 176.300 -0.352 0.000 1.111 355 M CA 0.406 55.411 55.300 -0.491 0.000 1.070 355 M CB -0.017 32.109 32.600 -0.790 0.000 1.525 355 M HN -0.182 nan 8.290 nan 0.000 0.517 356 V N 0.387 120.187 119.914 -0.190 0.000 2.427 356 V HA 0.457 4.580 4.120 0.005 0.000 0.286 356 V C 1.084 177.126 176.094 -0.086 0.000 1.034 356 V CA -0.253 61.987 62.300 -0.101 0.000 0.893 356 V CB 1.321 33.120 31.823 -0.040 0.000 0.982 356 V HN 0.331 nan 8.190 nan 0.000 0.452 357 A N 3.624 126.407 122.820 -0.061 0.000 1.956 357 A HA 0.295 4.618 4.320 0.005 0.000 0.212 357 A C 0.569 178.141 177.584 -0.019 0.000 1.188 357 A CA 0.821 52.831 52.037 -0.045 0.000 0.675 357 A CB 0.092 19.069 19.000 -0.038 0.000 0.845 357 A HN 0.793 nan 8.150 nan 0.000 0.455 358 D N -2.635 117.763 120.400 -0.004 0.000 2.706 358 D HA 0.458 5.102 4.640 0.005 0.000 0.225 358 D C -1.794 174.519 176.300 0.021 0.000 1.241 358 D CA -0.178 53.827 54.000 0.008 0.000 0.784 358 D CB 1.944 42.751 40.800 0.011 0.000 1.521 358 D HN -0.028 nan 8.370 nan 0.000 0.461 359 V N 3.220 123.148 119.914 0.023 0.000 2.483 359 V HA 0.676 4.799 4.120 0.005 0.000 0.297 359 V C -0.515 175.598 176.094 0.031 0.000 1.027 359 V CA -0.697 61.623 62.300 0.032 0.000 0.855 359 V CB 1.587 33.428 31.823 0.030 0.000 0.995 359 V HN 0.613 nan 8.190 nan 0.000 0.424 360 R N 3.433 123.955 120.500 0.037 0.000 2.673 360 R HA 0.939 5.283 4.340 0.005 0.000 0.281 360 R C -2.048 174.275 176.300 0.038 0.000 0.991 360 R CA -0.821 55.299 56.100 0.034 0.000 0.896 360 R CB 2.377 32.697 30.300 0.032 0.000 1.201 360 R HN 0.330 nan 8.270 nan 0.000 0.457 361 V N 3.002 122.935 119.914 0.032 0.000 2.760 361 V HA 0.532 4.655 4.120 0.005 0.000 0.309 361 V C -1.414 174.697 176.094 0.029 0.000 1.077 361 V CA -0.848 61.474 62.300 0.036 0.000 0.910 361 V CB 1.996 33.839 31.823 0.034 0.000 1.008 361 V HN 0.694 nan 8.190 nan 0.000 0.424 362 L N 4.439 125.687 121.223 0.041 0.000 2.516 362 L HA 0.867 5.210 4.340 0.005 0.000 0.267 362 L C 0.375 177.289 176.870 0.074 0.000 0.957 362 L CA 1.295 56.156 54.840 0.035 0.000 0.860 362 L CB 1.365 43.424 42.059 0.000 0.000 1.265 362 L HN 1.069 nan 8.230 nan 0.000 0.403 363 G N 3.995 112.840 108.800 0.076 0.000 2.611 363 G HA2 -0.178 3.785 3.960 0.005 0.000 0.301 363 G HA3 -0.178 3.785 3.960 0.005 0.000 0.301 363 G C 0.503 175.450 174.900 0.078 0.000 1.233 363 G CA 0.469 45.621 45.100 0.087 0.000 0.993 363 G HN 1.866 nan 8.290 nan 0.000 0.553 364 A N 0.017 122.898 122.820 0.101 0.000 3.163 364 A HA 0.667 4.990 4.320 0.005 0.000 0.283 364 A C 0.349 178.011 177.584 0.131 0.000 1.412 364 A CA 0.143 52.251 52.037 0.118 0.000 1.053 364 A CB -0.577 18.525 19.000 0.171 0.000 1.082 364 A HN 0.758 nan 8.150 nan 0.000 0.639 365 I N 0.057 120.692 120.570 0.110 0.000 2.478 365 I HA 0.525 4.698 4.170 0.005 0.000 0.287 365 I C 0.271 176.432 176.117 0.072 0.000 1.042 365 I CA -0.593 60.762 61.300 0.092 0.000 1.067 365 I CB 2.336 40.416 38.000 0.134 0.000 1.233 365 I HN 0.250 nan 8.210 nan 0.000 0.431 366 G N 5.654 114.493 108.800 0.066 0.000 2.626 366 G HA2 0.655 4.618 3.960 0.005 0.000 0.304 366 G HA3 0.655 4.618 3.960 0.005 0.000 0.304 366 G C -1.183 173.770 174.900 0.087 0.000 1.385 366 G CA -0.411 44.725 45.100 0.061 0.000 0.957 366 G HN 0.310 nan 8.290 nan 0.000 0.504 367 V N 2.381 122.345 119.914 0.084 0.000 2.540 367 V HA 0.519 4.642 4.120 0.005 0.000 0.302 367 V C -0.341 175.805 176.094 0.087 0.000 1.035 367 V CA -0.801 61.562 62.300 0.106 0.000 0.873 367 V CB 1.919 33.786 31.823 0.074 0.000 0.992 367 V HN 0.531 nan 8.190 nan 0.000 0.428 368 V N 3.973 123.951 119.914 0.107 0.000 2.326 368 V HA 0.382 4.505 4.120 0.005 0.000 0.281 368 V C 0.025 176.182 176.094 0.104 0.000 1.015 368 V CA -0.503 61.853 62.300 0.094 0.000 0.823 368 V CB 1.433 33.319 31.823 0.105 0.000 1.009 368 V HN 0.973 nan 8.190 nan 0.000 0.436 369 E N 3.611 123.854 120.200 0.070 0.000 2.227 369 E HA 0.503 4.856 4.350 0.005 0.000 0.282 369 E C 0.087 176.714 176.600 0.045 0.000 1.015 369 E CA -0.402 56.034 56.400 0.060 0.000 0.823 369 E CB 1.252 30.971 29.700 0.031 0.000 1.081 369 E HN 0.808 nan 8.360 nan 0.000 0.396 370 T N 0.459 115.052 114.554 0.065 0.000 2.936 370 T HA 0.208 4.561 4.350 0.005 0.000 0.282 370 T C 1.249 175.923 174.700 -0.043 0.000 1.003 370 T CA -0.093 62.011 62.100 0.007 0.000 1.005 370 T CB 1.431 70.372 68.868 0.122 0.000 1.097 370 T HN 0.524 nan 8.240 nan 0.000 0.532 371 T N -2.169 112.279 114.554 -0.176 0.000 3.014 371 T HA 0.083 4.436 4.350 0.005 0.000 0.263 371 T C 0.402 175.127 174.700 0.041 0.000 1.078 371 T CA 0.638 62.641 62.100 -0.163 0.000 1.135 371 T CB -0.389 68.259 68.868 -0.367 0.000 0.895 371 T HN 0.719 nan 8.240 nan 0.000 0.480 372 H N 0.983 120.015 119.070 -0.064 0.000 2.797 372 H HA 0.583 5.142 4.556 0.005 0.000 0.372 372 H C -2.904 172.530 175.328 0.177 0.000 1.168 372 H CA -3.111 52.956 56.048 0.031 0.000 1.163 372 H CB 1.088 30.864 29.762 0.024 0.000 1.778 372 H HN 0.011 nan 8.280 nan 0.000 0.551 373 P HA 0.021 nan 4.420 nan 0.000 0.271 373 P C -0.118 177.335 177.300 0.254 0.000 1.218 373 P CA -0.399 62.813 63.100 0.187 0.000 0.780 373 P CB 0.525 32.271 31.700 0.076 0.000 0.901 374 V N -0.116 119.868 119.914 0.117 0.000 2.881 374 V HA 0.328 4.451 4.120 0.005 0.000 0.303 374 V C 0.473 176.533 176.094 -0.057 0.000 1.070 374 V CA -0.625 61.607 62.300 -0.113 0.000 1.074 374 V CB 0.608 32.325 31.823 -0.175 0.000 1.012 374 V HN 0.440 nan 8.190 nan 0.000 0.482 375 N N 4.427 123.058 118.700 -0.116 0.000 2.482 375 N HA 0.169 4.912 4.740 0.005 0.000 0.242 375 N C 0.822 176.309 175.510 -0.038 0.000 1.100 375 N CA -0.340 52.692 53.050 -0.031 0.000 0.946 375 N CB 0.866 39.352 38.487 -0.000 0.000 1.227 375 N HN 0.784 nan 8.380 nan 0.000 0.508 376 M N 2.181 121.787 119.600 0.010 0.000 2.088 376 M HA -0.203 4.280 4.480 0.005 0.000 0.256 376 M C 1.833 178.144 176.300 0.018 0.000 1.071 376 M CA 1.683 57.001 55.300 0.031 0.000 1.097 376 M CB -1.541 31.113 32.600 0.091 0.000 1.315 376 M HN 0.640 nan 8.290 nan 0.000 0.406 377 A N -0.277 122.564 122.820 0.035 0.000 1.902 377 A HA 0.015 4.339 4.320 0.005 0.000 0.217 377 A C 2.406 180.006 177.584 0.026 0.000 1.181 377 A CA 2.262 54.328 52.037 0.048 0.000 0.623 377 A CB -0.937 18.091 19.000 0.046 0.000 0.818 377 A HN 0.517 nan 8.150 nan 0.000 0.443 378 A N -0.695 122.131 122.820 0.010 0.000 1.873 378 A HA 0.026 4.349 4.320 0.005 0.000 0.215 378 A C 2.109 179.565 177.584 -0.213 0.000 1.186 378 A CA 1.669 53.716 52.037 0.016 0.000 0.616 378 A CB -0.612 18.478 19.000 0.149 0.000 0.823 378 A HN 0.617 nan 8.150 nan 0.000 0.442 379 L N -0.518 120.505 121.223 -0.333 0.000 2.093 379 L HA -0.132 4.211 4.340 0.005 0.000 0.208 379 L C 2.409 178.949 176.870 -0.550 0.000 1.085 379 L CA 2.524 56.943 54.840 -0.701 0.000 0.755 379 L CB -0.788 40.944 42.059 -0.546 0.000 0.904 379 L HN 0.480 nan 8.230 nan 0.000 0.435 380 Q N 0.037 119.699 119.800 -0.229 0.000 2.079 380 Q HA -0.248 4.095 4.340 0.005 0.000 0.200 380 Q C 2.331 178.253 176.000 -0.131 0.000 0.974 380 Q CA 2.119 57.847 55.803 -0.125 0.000 0.840 380 Q CB -0.245 28.498 28.738 0.008 0.000 0.898 380 Q HN 0.549 nan 8.270 nan 0.000 0.430 381 K N -0.951 119.420 120.400 -0.048 0.000 2.057 381 K HA -0.184 4.140 4.320 0.005 0.000 0.207 381 K C 1.938 178.469 176.600 -0.115 0.000 1.049 381 K CA 1.390 57.683 56.287 0.011 0.000 0.931 381 K CB -0.461 32.086 32.500 0.080 0.000 0.714 381 K HN 0.282 nan 8.250 nan 0.000 0.440 382 F N 0.936 120.626 119.950 -0.433 0.000 2.069 382 F HA -0.197 4.333 4.527 0.005 0.000 0.298 382 F C 1.591 177.165 175.800 -0.377 0.000 1.113 382 F CA 1.655 59.325 58.000 -0.550 0.000 1.214 382 F CB -0.550 37.699 39.000 -1.253 0.000 0.978 382 F HN 0.016 nan 8.300 nan 0.000 0.474 383 F N -0.315 119.371 119.950 -0.441 0.000 2.095 383 F HA -0.252 4.278 4.527 0.005 0.000 0.298 383 F C 2.403 177.953 175.800 -0.417 0.000 1.104 383 F CA 1.210 58.918 58.000 -0.488 0.000 1.232 383 F CB -0.844 37.922 39.000 -0.391 0.000 0.987 383 F HN -0.205 nan 8.300 nan 0.000 0.475 384 V N 0.096 119.911 119.914 -0.165 0.000 2.392 384 V HA -0.310 3.813 4.120 0.005 0.000 0.249 384 V C 1.971 177.969 176.094 -0.160 0.000 1.059 384 V CA 2.039 64.231 62.300 -0.180 0.000 1.051 384 V CB -0.614 31.004 31.823 -0.342 0.000 0.658 384 V HN 0.346 nan 8.190 nan 0.000 0.455 385 E N -0.544 119.538 120.200 -0.195 0.000 2.204 385 E HA -0.194 4.159 4.350 0.005 0.000 0.194 385 E C 2.081 178.550 176.600 -0.219 0.000 0.989 385 E CA 0.738 57.035 56.400 -0.172 0.000 0.824 385 E CB -0.057 29.556 29.700 -0.145 0.000 0.756 385 E HN 0.527 nan 8.360 nan 0.000 0.477 386 Q N -0.665 118.931 119.800 -0.341 0.000 2.444 386 Q HA 0.053 4.396 4.340 0.005 0.000 0.206 386 Q C 0.919 176.823 176.000 -0.159 0.000 0.948 386 Q CA 0.710 56.339 55.803 -0.289 0.000 0.946 386 Q CB 0.926 29.411 28.738 -0.421 0.000 1.027 386 Q HN 0.393 nan 8.270 nan 0.000 0.513 387 G N 0.820 109.542 108.800 -0.131 0.000 2.176 387 G HA2 -0.247 3.716 3.960 0.005 0.000 0.252 387 G HA3 -0.247 3.716 3.960 0.005 0.000 0.252 387 G C 0.170 175.025 174.900 -0.075 0.000 1.024 387 G CA 0.474 45.522 45.100 -0.086 0.000 0.755 387 G HN 0.350 nan 8.290 nan 0.000 0.507 388 V N -4.228 115.634 119.914 -0.088 0.000 2.876 388 V HA 0.849 4.972 4.120 0.005 0.000 0.312 388 V C -0.022 176.033 176.094 -0.066 0.000 1.085 388 V CA -1.667 60.576 62.300 -0.095 0.000 0.945 388 V CB 2.183 33.904 31.823 -0.171 0.000 1.017 388 V HN 0.621 nan 8.190 nan 0.000 0.428 389 W N 5.565 126.708 121.300 -0.261 0.000 2.282 389 W HA 0.722 5.385 4.660 0.006 0.000 0.322 389 W C -1.829 174.468 176.519 -0.370 0.000 1.011 389 W CA -0.757 56.413 57.345 -0.290 0.000 1.392 389 W CB 1.247 30.552 29.460 -0.259 0.000 1.215 389 W HN 0.614 nan 8.180 nan 0.000 0.394 390 I N 5.949 125.865 120.570 -1.090 0.000 2.466 390 I HA 0.250 4.423 4.170 0.005 0.000 0.289 390 I C -0.235 175.196 176.117 -1.143 0.000 1.026 390 I CA -0.894 59.722 61.300 -1.139 0.000 1.078 390 I CB 2.328 39.408 38.000 -1.533 0.000 1.249 390 I HN 0.197 nan 8.210 nan 0.000 0.429 391 R N 8.548 128.493 120.500 -0.924 0.000 2.287 391 R HA 0.473 4.816 4.340 0.005 0.000 0.316 391 R C -2.622 173.505 176.300 -0.288 0.000 1.050 391 R CA -1.675 54.064 56.100 -0.602 0.000 0.983 391 R CB 0.756 30.796 30.300 -0.433 0.000 1.140 391 R HN 0.235 nan 8.270 nan 0.000 0.528 392 P HA 0.301 nan 4.420 nan 0.000 0.278 392 P C -1.282 176.204 177.300 0.309 0.000 1.266 392 P CA -0.348 62.805 63.100 0.089 0.000 0.807 392 P CB 0.773 32.549 31.700 0.126 0.000 1.094 393 F N -0.532 119.513 119.950 0.158 0.000 2.623 393 F HA 0.442 4.973 4.527 0.006 0.000 0.323 393 F C 0.529 176.393 175.800 0.107 0.000 1.158 393 F CA 0.581 58.662 58.000 0.135 0.000 1.030 393 F CB 1.120 40.215 39.000 0.160 0.000 1.280 393 F HN 0.755 nan 8.300 nan 0.000 0.474 394 G N 6.075 114.592 108.800 -0.472 0.000 2.602 394 G HA2 -0.354 3.610 3.960 0.005 0.000 0.310 394 G HA3 -0.354 3.610 3.960 0.005 0.000 0.310 394 G C 0.518 175.349 174.900 -0.116 0.000 1.183 394 G CA 0.639 45.470 45.100 -0.449 0.000 0.979 394 G HN 0.732 nan 8.290 nan 0.000 0.545 395 K N 0.384 120.731 120.400 -0.089 0.000 2.498 395 K HA 0.475 4.798 4.320 0.005 0.000 0.207 395 K C -0.109 176.539 176.600 0.080 0.000 1.033 395 K CA -0.102 56.212 56.287 0.045 0.000 1.138 395 K CB 0.192 32.710 32.500 0.029 0.000 0.860 395 K HN 0.307 nan 8.250 nan 0.000 0.490 396 L N 1.693 122.969 121.223 0.089 0.000 2.349 396 L HA 0.501 4.844 4.340 0.005 0.000 0.278 396 L C -0.511 176.525 176.870 0.277 0.000 0.996 396 L CA -0.682 54.260 54.840 0.170 0.000 0.825 396 L CB 1.666 43.805 42.059 0.134 0.000 1.243 396 L HN -0.012 nan 8.230 nan 0.000 0.412 397 I N 4.495 125.211 120.570 0.243 0.000 2.359 397 I HA 0.331 4.505 4.170 0.005 0.000 0.284 397 I C -0.802 175.417 176.117 0.169 0.000 1.018 397 I CA -0.622 60.786 61.300 0.180 0.000 1.173 397 I CB 0.632 38.749 38.000 0.194 0.000 1.326 397 I HN 0.498 nan 8.210 nan 0.000 0.462 398 Y N 5.360 125.639 120.300 -0.037 0.000 2.576 398 Y HA 0.875 5.428 4.550 0.005 0.000 0.346 398 Y C -1.578 174.242 175.900 -0.134 0.000 1.018 398 Y CA -1.417 56.643 58.100 -0.067 0.000 1.050 398 Y CB 1.396 39.823 38.460 -0.055 0.000 1.280 398 Y HN 0.224 nan 8.280 nan 0.000 0.474 399 L N 3.562 124.759 121.223 -0.044 0.000 2.386 399 L HA 0.621 4.965 4.340 0.005 0.000 0.271 399 L C -0.909 175.934 176.870 -0.044 0.000 0.993 399 L CA -1.104 53.658 54.840 -0.130 0.000 0.819 399 L CB 2.145 44.147 42.059 -0.095 0.000 1.294 399 L HN 0.813 nan 8.230 nan 0.000 0.414 400 M N 3.408 122.953 119.600 -0.091 0.000 2.542 400 M HA 0.309 4.793 4.480 0.005 0.000 0.273 400 M C -2.772 173.521 176.300 -0.012 0.000 1.296 400 M CA -1.282 53.983 55.300 -0.058 0.000 0.631 400 M CB 1.120 33.580 32.600 -0.234 0.000 1.747 400 M HN 0.164 nan 8.290 nan 0.000 0.378 401 P HA 0.394 nan 4.420 nan 0.000 0.276 401 P C -2.725 174.626 177.300 0.087 0.000 1.252 401 P CA -1.235 61.892 63.100 0.044 0.000 0.802 401 P CB -0.184 31.544 31.700 0.048 0.000 1.035 402 P HA 0.005 nan 4.420 nan 0.000 0.267 402 P C 0.701 178.098 177.300 0.161 0.000 1.200 402 P CA 0.321 63.413 63.100 -0.014 0.000 0.772 402 P CB -0.111 31.571 31.700 -0.030 0.000 0.855 403 Y N 1.676 121.998 120.300 0.036 0.000 2.421 403 Y HA -0.079 4.474 4.550 0.006 0.000 0.292 403 Y C 1.862 177.819 175.900 0.095 0.000 1.136 403 Y CA 0.659 58.809 58.100 0.083 0.000 1.255 403 Y CB -1.436 37.096 38.460 0.121 0.000 0.991 403 Y HN 0.314 nan 8.280 nan 0.000 0.552 404 I N -2.118 118.593 120.570 0.235 0.000 3.564 404 I HA 0.123 4.296 4.170 0.005 0.000 0.294 404 I C 0.860 177.051 176.117 0.124 0.000 1.289 404 I CA -0.044 61.361 61.300 0.176 0.000 1.325 404 I CB -0.399 37.701 38.000 0.168 0.000 1.039 404 I HN -0.075 nan 8.210 nan 0.000 0.474 405 I N 2.469 123.111 120.570 0.120 0.000 2.775 405 I HA 0.024 4.197 4.170 0.005 0.000 0.290 405 I C 0.045 176.203 176.117 0.068 0.000 1.203 405 I CA 0.094 61.445 61.300 0.085 0.000 1.433 405 I CB 0.533 38.579 38.000 0.077 0.000 1.354 405 I HN 0.175 nan 8.210 nan 0.000 0.579 406 L N 8.811 130.065 121.223 0.050 0.000 2.418 406 L HA 0.266 4.609 4.340 0.005 0.000 0.265 406 L C -1.535 175.353 176.870 0.031 0.000 1.143 406 L CA -1.424 53.439 54.840 0.038 0.000 0.809 406 L CB 0.249 42.325 42.059 0.029 0.000 1.124 406 L HN 0.508 nan 8.230 nan 0.000 0.456 407 P HA -0.211 nan 4.420 nan 0.000 0.216 407 P C 1.213 178.522 177.300 0.016 0.000 1.150 407 P CA 0.903 64.016 63.100 0.021 0.000 0.837 407 P CB 0.126 31.837 31.700 0.018 0.000 0.786 408 Q N 0.007 119.815 119.800 0.014 0.000 2.084 408 Q HA -0.219 4.124 4.340 0.005 0.000 0.202 408 Q C 2.132 178.136 176.000 0.007 0.000 0.978 408 Q CA 1.748 57.557 55.803 0.010 0.000 0.844 408 Q CB -0.353 28.389 28.738 0.008 0.000 0.898 408 Q HN 0.371 nan 8.270 nan 0.000 0.426 409 Q N -0.036 119.769 119.800 0.009 0.000 2.084 409 Q HA -0.162 4.181 4.340 0.005 0.000 0.202 409 Q C 2.168 178.168 176.000 0.000 0.000 0.978 409 Q CA 1.196 57.002 55.803 0.005 0.000 0.844 409 Q CB -0.124 28.622 28.738 0.014 0.000 0.898 409 Q HN 0.225 nan 8.270 nan 0.000 0.426 410 L N 1.066 122.295 121.223 0.009 0.000 2.046 410 L HA -0.226 4.118 4.340 0.005 0.000 0.208 410 L C 2.295 179.165 176.870 0.001 0.000 1.077 410 L CA 1.879 56.722 54.840 0.006 0.000 0.747 410 L CB -0.597 41.473 42.059 0.018 0.000 0.896 410 L HN 0.220 nan 8.230 nan 0.000 0.432 411 Q N -0.960 118.844 119.800 0.006 0.000 2.124 411 Q HA -0.217 4.126 4.340 0.005 0.000 0.202 411 Q C 2.343 178.346 176.000 0.005 0.000 0.977 411 Q CA 1.513 57.321 55.803 0.009 0.000 0.850 411 Q CB -0.007 28.738 28.738 0.012 0.000 0.901 411 Q HN 0.465 nan 8.270 nan 0.000 0.429 412 R N -0.266 120.232 120.500 -0.004 0.000 2.096 412 R HA -0.106 4.237 4.340 0.005 0.000 0.235 412 R C 2.325 178.611 176.300 -0.023 0.000 1.127 412 R CA 1.174 57.267 56.100 -0.011 0.000 0.968 412 R CB -0.186 30.100 30.300 -0.022 0.000 0.861 412 R HN 0.306 nan 8.270 nan 0.000 0.440 413 L N -0.044 121.155 121.223 -0.040 0.000 2.027 413 L HA -0.171 4.172 4.340 0.005 0.000 0.206 413 L C 2.723 179.567 176.870 -0.043 0.000 1.074 413 L CA 1.851 56.643 54.840 -0.079 0.000 0.745 413 L CB -0.927 41.074 42.059 -0.097 0.000 0.898 413 L HN 0.373 nan 8.230 nan 0.000 0.433 414 T N -2.429 112.119 114.554 -0.011 0.000 2.821 414 T HA -0.100 4.253 4.350 0.005 0.000 0.267 414 T C 1.966 176.697 174.700 0.052 0.000 1.046 414 T CA 0.874 62.985 62.100 0.017 0.000 1.139 414 T CB -0.427 68.452 68.868 0.020 0.000 0.871 414 T HN 0.299 nan 8.240 nan 0.000 0.454 415 A N 2.132 124.982 122.820 0.050 0.000 1.908 415 A HA 0.229 4.552 4.320 0.005 0.000 0.218 415 A C 2.845 180.508 177.584 0.131 0.000 1.181 415 A CA 2.113 54.196 52.037 0.075 0.000 0.627 415 A CB -1.463 17.570 19.000 0.055 0.000 0.818 415 A HN 0.770 nan 8.150 nan 0.000 0.445 416 A N -0.727 122.173 122.820 0.132 0.000 1.902 416 A HA 0.026 4.349 4.320 0.005 0.000 0.217 416 A C 2.246 180.090 177.584 0.434 0.000 1.181 416 A CA 1.756 53.952 52.037 0.264 0.000 0.623 416 A CB -0.895 18.209 19.000 0.173 0.000 0.818 416 A HN 0.384 nan 8.150 nan 0.000 0.443 417 V N 1.003 121.079 119.914 0.270 0.000 2.295 417 V HA -0.271 3.852 4.120 0.005 0.000 0.246 417 V C 2.350 178.586 176.094 0.238 0.000 1.049 417 V CA 2.088 64.552 62.300 0.274 0.000 1.024 417 V CB -0.935 30.959 31.823 0.120 0.000 0.648 417 V HN 0.572 nan 8.190 nan 0.000 0.447 418 N N 0.081 118.884 118.700 0.171 0.000 2.104 418 N HA -0.229 4.515 4.740 0.005 0.000 0.190 418 N C 2.062 177.662 175.510 0.150 0.000 1.024 418 N CA 1.792 54.923 53.050 0.135 0.000 0.853 418 N CB -0.311 38.236 38.487 0.099 0.000 1.008 418 N HN 0.436 nan 8.380 nan 0.000 0.424 419 R N 0.847 121.469 120.500 0.202 0.000 2.092 419 R HA 0.011 4.354 4.340 0.005 0.000 0.231 419 R C 2.096 178.469 176.300 0.122 0.000 1.119 419 R CA 1.165 57.388 56.100 0.205 0.000 0.970 419 R CB -0.112 30.397 30.300 0.348 0.000 0.864 419 R HN 0.145 nan 8.270 nan 0.000 0.440 420 A N 0.411 123.323 122.820 0.154 0.000 1.972 420 A HA -0.101 4.222 4.320 0.005 0.000 0.219 420 A C 1.913 179.606 177.584 0.181 0.000 1.169 420 A CA 1.565 53.586 52.037 -0.027 0.000 0.635 420 A CB -0.295 18.714 19.000 0.014 0.000 0.810 420 A HN 0.328 nan 8.150 nan 0.000 0.446 421 V N -3.685 116.360 119.914 0.218 0.000 3.596 421 V HA 0.114 4.238 4.120 0.005 0.000 0.289 421 V C 1.396 177.540 176.094 0.082 0.000 1.336 421 V CA 0.493 62.938 62.300 0.242 0.000 1.137 421 V CB -0.115 31.820 31.823 0.186 0.000 0.966 421 V HN 0.318 nan 8.190 nan 0.000 0.428 422 Q N 2.462 122.297 119.800 0.057 0.000 2.297 422 Q HA 0.079 4.422 4.340 0.005 0.000 0.204 422 Q C 0.616 176.593 176.000 -0.038 0.000 0.962 422 Q CA 1.567 57.372 55.803 0.003 0.000 0.879 422 Q CB -0.017 28.726 28.738 0.009 0.000 0.947 422 Q HN 1.072 nan 8.270 nan 0.000 0.462 423 D N -2.393 117.981 120.400 -0.043 0.000 2.825 423 D HA 0.002 4.645 4.640 0.005 0.000 0.327 423 D C 0.238 176.517 176.300 -0.035 0.000 1.277 423 D CA -0.454 53.498 54.000 -0.079 0.000 0.950 423 D CB 0.020 40.759 40.800 -0.102 0.000 1.438 423 D HN -0.135 nan 8.370 nan 0.000 0.526 424 E N -0.646 119.525 120.200 -0.048 0.000 2.476 424 E HA 0.022 4.376 4.350 0.005 0.000 0.191 424 E C 0.727 177.355 176.600 0.047 0.000 1.064 424 E CA 0.185 56.625 56.400 0.067 0.000 0.866 424 E CB -0.592 29.117 29.700 0.015 0.000 0.952 424 E HN 0.456 nan 8.360 nan 0.000 0.492 425 T N 1.182 115.610 114.554 -0.210 0.000 2.653 425 T HA -0.172 4.181 4.350 0.005 0.000 0.268 425 T C 0.810 175.205 174.700 -0.509 0.000 1.035 425 T CA 1.528 63.321 62.100 -0.512 0.000 1.154 425 T CB -0.342 67.905 68.868 -1.035 0.000 0.862 425 T HN 0.330 nan 8.240 nan 0.000 0.441 426 F N -0.148 119.720 119.950 -0.137 0.000 2.730 426 F HA 0.430 4.960 4.527 0.005 0.000 0.295 426 F C -0.134 175.333 175.800 -0.554 0.000 1.143 426 F CA -0.983 56.797 58.000 -0.367 0.000 1.367 426 F CB 0.056 38.708 39.000 -0.579 0.000 0.970 426 F HN 0.020 nan 8.300 nan 0.000 0.514 427 F N -0.988 118.991 119.950 0.048 0.000 2.522 427 F HA 0.636 5.167 4.527 0.006 0.000 0.324 427 F C 0.427 176.261 175.800 0.056 0.000 1.077 427 F CA -0.976 57.063 58.000 0.064 0.000 0.944 427 F CB 1.379 40.419 39.000 0.067 0.000 1.175 427 F HN -0.058 nan 8.300 nan 0.000 0.468 428 C N 0.000 119.454 119.300 0.257 0.000 2.653 428 C HA 0.000 4.463 4.460 0.005 0.000 0.325 428 C CA 0.000 59.095 59.018 0.128 0.000 1.963 428 C CB 0.000 27.787 27.740 0.077 0.000 2.134 428 C HN 0.000 nan 8.230 nan 0.000 0.568