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 3hmv_1_B DATA FIRST_RESID 152 DATA SEQUENCE SISRFGVNTE NEDHLAKELE DLNKWGLNIF NVAGYSHNRP LTCIMYAIFQ DATA SEQUENCE ERDLLKTFRI SSDTFITYMM TLEDHYHSDV AYHNSLHAAD VAQSTHVLLS DATA SEQUENCE TPALDAVFTD LEILAAIFAA AIHDVDHPGV SNQFLINTNS ELALMYNDES DATA SEQUENCE VLENHHLAVG FKLLQEEHCD IFMNLTKKQR QTLRKMVIDM VLATDMSKHM DATA SEQUENCE SLLADLKTMV ETKKVTSSGV LLLDNYTDRI QVLRNMVHCA DLSNPTKSLE DATA SEQUENCE LYRQWTDRIM EEFFQQGDKE RERGMEISPM CDKHTASVEK SQVGFIDYIV DATA SEQUENCE HPLWETWADL VQPDAQDILD TLEDNRNWYQ AMIPXXXXXX XXXQNRDCQG DATA SEQUENCE LMEKFQFELT 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 152 S HA 0.000 nan 4.470 nan 0.000 0.327 152 S C 0.000 174.641 174.600 0.069 0.000 1.055 152 S CA 0.000 58.236 58.200 0.061 0.000 1.107 152 S CB 0.000 63.245 63.200 0.075 0.000 0.593 153 I N 3.741 124.337 120.570 0.044 0.000 8.141 153 I HA -0.162 4.014 4.170 0.010 0.000 0.126 153 I C 0.074 176.221 176.117 0.051 0.000 1.794 153 I CA 1.027 62.349 61.300 0.037 0.000 2.140 153 I CB -1.144 36.876 38.000 0.033 0.000 3.671 153 I HN 0.655 nan 8.210 nan 0.000 0.200 154 S N 7.966 123.685 115.700 0.032 0.000 3.900 154 S HA 0.210 4.686 4.470 0.010 0.000 0.248 154 S C 1.293 175.921 174.600 0.047 0.000 1.310 154 S CA 0.079 58.306 58.200 0.045 0.000 0.915 154 S CB 0.021 63.215 63.200 -0.010 0.000 1.588 154 S HN 0.746 nan 8.310 nan 0.000 0.472 155 R N 1.156 121.651 120.500 -0.008 0.000 2.189 155 R HA 0.168 4.514 4.340 0.010 0.000 0.203 155 R C 0.025 176.231 176.300 -0.155 0.000 1.012 155 R CA 0.907 56.913 56.100 -0.157 0.000 1.015 155 R CB 0.049 30.092 30.300 -0.428 0.000 0.938 155 R HN 0.476 nan 8.270 nan 0.000 0.472 156 F N 0.546 120.635 119.950 0.231 0.000 2.750 156 F HA 0.424 4.957 4.527 0.009 0.000 0.297 156 F C 1.213 177.218 175.800 0.342 0.000 1.138 156 F CA -0.097 58.075 58.000 0.287 0.000 1.346 156 F CB 0.990 40.084 39.000 0.156 0.000 0.965 156 F HN 0.245 nan 8.300 nan 0.000 0.514 157 G N 0.952 109.956 108.800 0.339 0.000 2.200 157 G HA2 -0.233 3.733 3.960 0.010 0.000 0.267 157 G HA3 -0.233 3.733 3.960 0.010 0.000 0.267 157 G C 0.068 174.977 174.900 0.015 0.000 0.993 157 G CA 0.707 45.751 45.100 -0.093 0.000 0.701 157 G HN 0.619 nan 8.290 nan 0.000 0.524 158 V N -4.546 115.449 119.914 0.136 0.000 3.114 158 V HA 0.700 4.826 4.120 0.010 0.000 0.308 158 V C -0.176 176.000 176.094 0.137 0.000 1.168 158 V CA -1.965 60.406 62.300 0.118 0.000 1.015 158 V CB 1.797 33.707 31.823 0.145 0.000 1.050 158 V HN 0.101 nan 8.190 nan 0.000 0.433 159 N N 1.565 120.341 118.700 0.127 0.000 2.497 159 N HA 0.491 5.236 4.740 0.010 0.000 0.271 159 N C -0.352 175.325 175.510 0.279 0.000 1.142 159 N CA 0.271 53.419 53.050 0.164 0.000 0.965 159 N CB 1.555 40.095 38.487 0.088 0.000 1.077 159 N HN 0.975 nan 8.380 nan 0.000 0.462 160 T N 0.384 115.075 114.554 0.228 0.000 2.894 160 T HA 0.251 4.607 4.350 0.010 0.000 0.309 160 T C -0.217 174.573 174.700 0.150 0.000 1.208 160 T CA -0.405 61.806 62.100 0.185 0.000 1.016 160 T CB 1.255 70.209 68.868 0.143 0.000 1.192 160 T HN 0.345 nan 8.240 nan 0.000 0.491 161 E N 1.704 121.970 120.200 0.110 0.000 2.538 161 E HA 0.358 4.714 4.350 0.010 0.000 0.207 161 E C -0.197 176.424 176.600 0.036 0.000 1.002 161 E CA 0.030 56.478 56.400 0.081 0.000 0.952 161 E CB 0.419 30.175 29.700 0.094 0.000 1.031 161 E HN 0.442 nan 8.360 nan 0.000 0.476 162 N N 0.703 119.410 118.700 0.012 0.000 2.711 162 N HA 0.045 4.791 4.740 0.010 0.000 0.263 162 N C 0.077 175.471 175.510 -0.195 0.000 1.667 162 N CA 0.032 53.009 53.050 -0.122 0.000 0.785 162 N CB 1.049 39.468 38.487 -0.114 0.000 1.231 162 N HN 0.106 nan 8.380 nan 0.000 0.503 163 E N 1.060 121.199 120.200 -0.101 0.000 2.077 163 E HA -0.197 4.159 4.350 0.010 0.000 0.193 163 E C 1.008 177.543 176.600 -0.109 0.000 0.989 163 E CA 1.523 57.910 56.400 -0.021 0.000 0.800 163 E CB 0.390 30.139 29.700 0.082 0.000 0.746 163 E HN 0.456 nan 8.360 nan 0.000 0.452 164 D N -0.359 119.918 120.400 -0.204 0.000 2.116 164 D HA -0.232 4.413 4.640 0.010 0.000 0.193 164 D C 1.530 177.636 176.300 -0.324 0.000 0.998 164 D CA 1.808 55.651 54.000 -0.261 0.000 0.836 164 D CB -0.982 39.614 40.800 -0.339 0.000 0.951 164 D HN 0.438 nan 8.370 nan 0.000 0.449 165 H N -0.903 117.946 119.070 -0.369 0.000 2.428 165 H HA 0.118 4.680 4.556 0.010 0.000 0.296 165 H C 1.995 177.003 175.328 -0.533 0.000 1.062 165 H CA 0.602 56.304 56.048 -0.577 0.000 1.350 165 H CB 0.126 29.203 29.762 -1.141 0.000 1.403 165 H HN 0.083 nan 8.280 nan 0.000 0.533 166 L N 0.907 121.900 121.223 -0.385 0.000 2.005 166 L HA -0.041 4.304 4.340 0.010 0.000 0.207 166 L C 2.452 179.096 176.870 -0.376 0.000 1.072 166 L CA 1.640 56.311 54.840 -0.280 0.000 0.744 166 L CB -0.836 41.063 42.059 -0.267 0.000 0.895 166 L HN 0.219 nan 8.230 nan 0.000 0.433 167 A N -0.041 122.542 122.820 -0.395 0.000 1.873 167 A HA -0.339 3.986 4.320 0.010 0.000 0.218 167 A C 2.374 179.880 177.584 -0.129 0.000 1.193 167 A CA 2.391 54.262 52.037 -0.278 0.000 0.629 167 A CB -0.834 18.174 19.000 0.014 0.000 0.826 167 A HN 0.522 nan 8.150 nan 0.000 0.447 168 K N -0.223 120.124 120.400 -0.088 0.000 2.044 168 K HA -0.219 4.107 4.320 0.010 0.000 0.210 168 K C 1.855 178.440 176.600 -0.024 0.000 1.049 168 K CA 2.047 58.315 56.287 -0.032 0.000 0.927 168 K CB -0.231 32.267 32.500 -0.004 0.000 0.713 168 K HN 0.435 nan 8.250 nan 0.000 0.443 169 E N 0.538 120.718 120.200 -0.034 0.000 2.085 169 E HA -0.163 4.193 4.350 0.010 0.000 0.194 169 E C 2.001 178.584 176.600 -0.029 0.000 0.994 169 E CA 1.304 57.701 56.400 -0.005 0.000 0.801 169 E CB -0.189 29.533 29.700 0.038 0.000 0.743 169 E HN 0.439 nan 8.360 nan 0.000 0.453 170 L N 0.735 121.906 121.223 -0.086 0.000 2.551 170 L HA -0.059 4.287 4.340 0.010 0.000 0.228 170 L C 2.012 178.878 176.870 -0.006 0.000 1.153 170 L CA 0.418 55.218 54.840 -0.067 0.000 0.851 170 L CB -0.373 41.597 42.059 -0.149 0.000 0.959 170 L HN 0.081 nan 8.230 nan 0.000 0.451 171 E N 0.369 120.570 120.200 0.001 0.000 2.219 171 E HA -0.217 4.139 4.350 0.010 0.000 0.198 171 E C 0.483 177.109 176.600 0.042 0.000 0.998 171 E CA 1.058 57.476 56.400 0.029 0.000 0.818 171 E CB 0.024 29.740 29.700 0.026 0.000 0.741 171 E HN 0.421 nan 8.360 nan 0.000 0.477 172 D N 0.046 120.469 120.400 0.038 0.000 2.460 172 D HA 0.012 4.658 4.640 0.010 0.000 0.229 172 D C 1.161 177.503 176.300 0.070 0.000 1.170 172 D CA -0.080 53.954 54.000 0.056 0.000 0.827 172 D CB 0.333 41.162 40.800 0.048 0.000 0.973 172 D HN 0.049 nan 8.370 nan 0.000 0.496 173 L N 0.821 122.085 121.223 0.067 0.000 2.042 173 L HA -0.134 4.212 4.340 0.010 0.000 0.210 173 L C 1.039 178.010 176.870 0.169 0.000 1.076 173 L CA 1.775 56.660 54.840 0.075 0.000 0.749 173 L CB -0.331 41.753 42.059 0.040 0.000 0.893 173 L HN -0.058 nan 8.230 nan 0.000 0.432 174 N N -0.338 118.480 118.700 0.196 0.000 2.370 174 N HA 0.043 4.789 4.740 0.010 0.000 0.198 174 N C -0.438 175.189 175.510 0.195 0.000 1.156 174 N CA 0.298 53.504 53.050 0.259 0.000 0.839 174 N CB 0.063 38.678 38.487 0.212 0.000 0.989 174 N HN 0.309 nan 8.380 nan 0.000 0.468 175 K N -0.760 119.748 120.400 0.181 0.000 2.259 175 K HA 0.141 4.467 4.320 0.010 0.000 0.252 175 K C 0.594 177.336 176.600 0.235 0.000 0.936 175 K CA -0.668 55.731 56.287 0.187 0.000 0.810 175 K CB 1.685 34.266 32.500 0.135 0.000 1.143 175 K HN 0.065 nan 8.250 nan 0.000 0.427 176 W N 2.196 123.516 121.300 0.034 0.000 2.374 176 W HA -0.104 4.561 4.660 0.009 0.000 0.288 176 W C 0.951 177.486 176.519 0.028 0.000 1.218 176 W CA 1.747 59.103 57.345 0.019 0.000 1.245 176 W CB 0.352 29.803 29.460 -0.014 0.000 1.126 176 W HN 0.803 nan 8.180 nan 0.000 0.545 177 G N 0.888 109.785 108.800 0.161 0.000 3.124 177 G HA2 0.031 3.997 3.960 0.010 0.000 0.212 177 G HA3 0.031 3.997 3.960 0.010 0.000 0.212 177 G C 0.270 175.189 174.900 0.033 0.000 1.181 177 G CA -0.482 44.663 45.100 0.075 0.000 0.803 177 G HN 0.121 nan 8.290 nan 0.000 0.529 178 L N 0.305 121.539 121.223 0.017 0.000 2.483 178 L HA 0.266 4.612 4.340 0.010 0.000 0.276 178 L C -0.217 176.654 176.870 0.001 0.000 1.213 178 L CA -0.512 54.334 54.840 0.011 0.000 0.843 178 L CB 0.788 42.852 42.059 0.008 0.000 1.107 178 L HN 0.004 nan 8.230 nan 0.000 0.487 179 N N 4.285 122.994 118.700 0.016 0.000 2.621 179 N HA 0.083 4.828 4.740 0.010 0.000 0.237 179 N C 0.493 176.006 175.510 0.004 0.000 0.997 179 N CA -0.297 52.776 53.050 0.038 0.000 0.918 179 N CB 1.028 39.544 38.487 0.049 0.000 1.122 179 N HN 0.768 nan 8.380 nan 0.000 0.510 180 I N 3.401 123.934 120.570 -0.061 0.000 2.614 180 I HA -0.039 4.137 4.170 0.010 0.000 0.258 180 I C 1.068 177.016 176.117 -0.281 0.000 1.189 180 I CA 1.007 62.205 61.300 -0.171 0.000 1.462 180 I CB -0.155 37.731 38.000 -0.190 0.000 1.092 180 I HN 0.412 nan 8.210 nan 0.000 0.442 181 F N 0.441 120.292 119.950 -0.165 0.000 2.134 181 F HA -0.202 4.331 4.527 0.010 0.000 0.299 181 F C 2.306 177.980 175.800 -0.211 0.000 1.097 181 F CA 1.298 59.162 58.000 -0.227 0.000 1.264 181 F CB -0.972 37.847 39.000 -0.301 0.000 1.001 181 F HN 0.138 nan 8.300 nan 0.000 0.479 182 N N 0.242 118.941 118.700 -0.002 0.000 2.171 182 N HA -0.109 4.637 4.740 0.010 0.000 0.184 182 N C 2.124 177.594 175.510 -0.066 0.000 1.021 182 N CA 1.092 54.085 53.050 -0.095 0.000 0.854 182 N CB -0.780 37.715 38.487 0.014 0.000 0.994 182 N HN 0.064 nan 8.380 nan 0.000 0.426 183 V N 1.628 121.534 119.914 -0.013 0.000 2.332 183 V HA -0.243 3.883 4.120 0.010 0.000 0.248 183 V C 2.392 178.464 176.094 -0.036 0.000 1.055 183 V CA 1.876 64.177 62.300 0.002 0.000 1.038 183 V CB -1.067 30.736 31.823 -0.033 0.000 0.651 183 V HN 0.302 nan 8.190 nan 0.000 0.450 184 A N 0.677 123.439 122.820 -0.095 0.000 1.865 184 A HA -0.154 4.172 4.320 0.010 0.000 0.217 184 A C 2.448 179.954 177.584 -0.129 0.000 1.191 184 A CA 2.128 54.101 52.037 -0.107 0.000 0.623 184 A CB -1.408 17.508 19.000 -0.140 0.000 0.826 184 A HN 0.550 nan 8.150 nan 0.000 0.444 185 G N -2.367 106.301 108.800 -0.220 0.000 2.470 185 G HA2 -0.130 3.836 3.960 0.010 0.000 0.220 185 G HA3 -0.130 3.836 3.960 0.010 0.000 0.220 185 G C 0.989 175.672 174.900 -0.361 0.000 1.121 185 G CA 1.083 45.977 45.100 -0.343 0.000 0.766 185 G HN 0.576 nan 8.290 nan 0.000 0.553 186 Y N 0.480 120.728 120.300 -0.086 0.000 2.607 186 Y HA 0.298 4.854 4.550 0.010 0.000 0.266 186 Y C 1.668 177.518 175.900 -0.083 0.000 1.178 186 Y CA -0.373 57.674 58.100 -0.088 0.000 1.226 186 Y CB 0.312 38.744 38.460 -0.047 0.000 1.144 186 Y HN 0.220 nan 8.280 nan 0.000 0.528 187 S N -2.796 112.920 115.700 0.027 0.000 2.952 187 S HA 0.160 4.636 4.470 0.010 0.000 0.251 187 S C -0.377 174.284 174.600 0.102 0.000 1.021 187 S CA -0.442 57.798 58.200 0.066 0.000 1.067 187 S CB -0.861 62.372 63.200 0.056 0.000 1.002 187 S HN 0.489 nan 8.310 nan 0.000 0.574 188 H N 4.048 123.133 119.070 0.025 0.000 2.692 188 H HA -0.197 4.365 4.556 0.010 0.000 0.316 188 H C 0.327 175.647 175.328 -0.014 0.000 1.176 188 H CA 1.028 57.079 56.048 0.005 0.000 1.142 188 H CB -2.184 27.584 29.762 0.011 0.000 1.475 188 H HN 0.903 nan 8.280 nan 0.000 0.423 189 N N -1.241 117.478 118.700 0.032 0.000 2.705 189 N HA -0.274 4.472 4.740 0.010 0.000 0.255 189 N C -0.393 175.119 175.510 0.003 0.000 1.008 189 N CA 0.719 53.768 53.050 -0.002 0.000 0.742 189 N CB -0.371 38.109 38.487 -0.012 0.000 0.906 189 N HN 0.313 nan 8.380 nan 0.000 0.541 190 R N 0.165 120.672 120.500 0.012 0.000 2.997 190 R HA 0.281 4.627 4.340 0.010 0.000 0.358 190 R C -1.262 175.030 176.300 -0.013 0.000 1.191 190 R CA -1.984 54.117 56.100 0.002 0.000 1.113 190 R CB 0.336 30.654 30.300 0.030 0.000 1.433 190 R HN 0.383 nan 8.270 nan 0.000 0.584 191 P HA -0.186 nan 4.420 nan 0.000 0.217 191 P C 1.156 178.421 177.300 -0.057 0.000 1.150 191 P CA 0.669 63.733 63.100 -0.061 0.000 0.832 191 P CB 0.446 32.077 31.700 -0.115 0.000 0.787 192 L N 0.300 121.470 121.223 -0.087 0.000 1.976 192 L HA -0.102 4.244 4.340 0.010 0.000 0.209 192 L C 2.351 179.205 176.870 -0.027 0.000 1.071 192 L CA 2.411 57.196 54.840 -0.090 0.000 0.746 192 L CB -1.798 40.171 42.059 -0.151 0.000 0.890 192 L HN -0.077 nan 8.230 nan 0.000 0.432 193 T N -1.142 113.394 114.554 -0.031 0.000 2.684 193 T HA -0.290 4.066 4.350 0.010 0.000 0.267 193 T C 2.063 176.830 174.700 0.112 0.000 1.036 193 T CA 1.657 63.753 62.100 -0.006 0.000 1.148 193 T CB -1.003 67.841 68.868 -0.039 0.000 0.863 193 T HN 0.657 nan 8.240 nan 0.000 0.436 194 C N 0.761 120.123 119.300 0.104 0.000 2.413 194 C HA -0.053 4.413 4.460 0.010 0.000 0.277 194 C C 2.527 177.637 174.990 0.200 0.000 1.228 194 C CA 0.437 59.559 59.018 0.173 0.000 1.731 194 C CB -1.333 26.470 27.740 0.104 0.000 2.042 194 C HN 0.493 nan 8.230 nan 0.000 0.468 195 I N 0.641 121.283 120.570 0.119 0.000 2.353 195 I HA -0.086 4.090 4.170 0.010 0.000 0.248 195 I C 2.403 178.631 176.117 0.185 0.000 1.119 195 I CA 1.595 62.957 61.300 0.104 0.000 1.417 195 I CB -0.421 37.597 38.000 0.031 0.000 1.078 195 I HN 0.286 nan 8.210 nan 0.000 0.421 196 M N -1.336 118.406 119.600 0.236 0.000 2.132 196 M HA -0.233 4.252 4.480 0.010 0.000 0.263 196 M C 2.324 178.980 176.300 0.593 0.000 1.065 196 M CA 1.635 57.177 55.300 0.402 0.000 1.122 196 M CB -1.345 31.420 32.600 0.275 0.000 1.365 196 M HN 0.273 nan 8.290 nan 0.000 0.411 197 Y N 1.167 121.706 120.300 0.398 0.000 2.181 197 Y HA -0.144 4.412 4.550 0.009 0.000 0.288 197 Y C 2.417 178.458 175.900 0.234 0.000 1.146 197 Y CA 1.603 59.933 58.100 0.383 0.000 1.164 197 Y CB -0.606 38.037 38.460 0.304 0.000 0.982 197 Y HN 0.200 nan 8.280 nan 0.000 0.515 198 A N 0.064 122.999 122.820 0.192 0.000 1.873 198 A HA -0.145 4.181 4.320 0.010 0.000 0.215 198 A C 2.369 179.958 177.584 0.008 0.000 1.186 198 A CA 1.772 53.843 52.037 0.057 0.000 0.616 198 A CB -1.099 17.965 19.000 0.107 0.000 0.823 198 A HN 0.497 nan 8.150 nan 0.000 0.442 199 I N -1.656 118.949 120.570 0.058 0.000 2.127 199 I HA -0.286 3.890 4.170 0.010 0.000 0.241 199 I C 2.285 178.421 176.117 0.032 0.000 1.075 199 I CA 1.598 62.869 61.300 -0.049 0.000 1.334 199 I CB -0.381 37.646 38.000 0.044 0.000 1.040 199 I HN 0.309 nan 8.210 nan 0.000 0.405 200 F N 0.907 120.813 119.950 -0.074 0.000 2.171 200 F HA -0.212 4.320 4.527 0.009 0.000 0.300 200 F C 2.693 178.387 175.800 -0.176 0.000 1.090 200 F CA 1.354 59.269 58.000 -0.142 0.000 1.293 200 F CB -0.732 38.037 39.000 -0.386 0.000 1.013 200 F HN 0.123 nan 8.300 nan 0.000 0.486 201 Q N -0.322 119.436 119.800 -0.070 0.000 2.046 201 Q HA -0.245 4.101 4.340 0.010 0.000 0.200 201 Q C 2.074 178.029 176.000 -0.075 0.000 0.975 201 Q CA 1.653 57.371 55.803 -0.140 0.000 0.836 201 Q CB -0.430 28.146 28.738 -0.271 0.000 0.896 201 Q HN 0.325 nan 8.270 nan 0.000 0.428 202 E N 1.455 121.619 120.200 -0.059 0.000 2.160 202 E HA -0.170 4.186 4.350 0.010 0.000 0.195 202 E C 1.208 177.811 176.600 0.005 0.000 0.991 202 E CA 1.272 57.658 56.400 -0.023 0.000 0.810 202 E CB 0.075 29.753 29.700 -0.038 0.000 0.742 202 E HN 0.139 nan 8.360 nan 0.000 0.466 203 R N 0.198 120.689 120.500 -0.014 0.000 2.388 203 R HA 0.063 4.409 4.340 0.010 0.000 0.247 203 R C -0.329 175.956 176.300 -0.025 0.000 0.931 203 R CA 0.492 56.590 56.100 -0.003 0.000 1.082 203 R CB 0.249 30.534 30.300 -0.026 0.000 1.135 203 R HN 0.093 nan 8.270 nan 0.000 0.525 204 D N 0.668 121.052 120.400 -0.028 0.000 2.733 204 D HA -0.228 4.418 4.640 0.010 0.000 0.232 204 D C 0.650 176.939 176.300 -0.019 0.000 1.161 204 D CA 0.733 54.716 54.000 -0.028 0.000 0.653 204 D CB -0.960 39.821 40.800 -0.032 0.000 1.052 204 D HN 0.340 nan 8.370 nan 0.000 0.424 205 L N -0.620 120.603 121.223 0.000 0.000 2.156 205 L HA -0.092 4.254 4.340 0.010 0.000 0.208 205 L C 2.509 179.519 176.870 0.233 0.000 1.095 205 L CA 0.654 55.551 54.840 0.095 0.000 0.770 205 L CB -0.124 41.868 42.059 -0.112 0.000 0.914 205 L HN 0.205 nan 8.230 nan 0.000 0.439 206 L N -0.674 120.642 121.223 0.155 0.000 2.131 206 L HA -0.221 4.125 4.340 0.010 0.000 0.210 206 L C 2.483 179.404 176.870 0.086 0.000 1.092 206 L CA 1.223 56.129 54.840 0.109 0.000 0.759 206 L CB -0.528 41.529 42.059 -0.003 0.000 0.903 206 L HN 0.161 nan 8.230 nan 0.000 0.435 207 K N -0.140 120.279 120.400 0.032 0.000 1.984 207 K HA -0.114 4.212 4.320 0.010 0.000 0.209 207 K C 2.155 178.726 176.600 -0.048 0.000 1.046 207 K CA 1.927 58.210 56.287 -0.006 0.000 0.934 207 K CB -0.283 32.199 32.500 -0.031 0.000 0.717 207 K HN 0.142 nan 8.250 nan 0.000 0.438 208 T N 0.198 114.674 114.554 -0.130 0.000 2.803 208 T HA -0.132 4.223 4.350 0.010 0.000 0.269 208 T C 0.891 175.303 174.700 -0.479 0.000 1.052 208 T CA 1.307 63.185 62.100 -0.370 0.000 1.136 208 T CB -0.137 68.388 68.868 -0.571 0.000 0.864 208 T HN 0.084 nan 8.240 nan 0.000 0.467 209 F N 0.279 120.267 119.950 0.063 0.000 2.654 209 F HA 0.440 4.973 4.527 0.010 0.000 0.303 209 F C 0.791 176.644 175.800 0.088 0.000 1.099 209 F CA -0.957 57.095 58.000 0.087 0.000 1.270 209 F CB -0.106 38.975 39.000 0.136 0.000 1.024 209 F HN -0.185 nan 8.300 nan 0.000 0.548 210 R N 1.423 122.027 120.500 0.173 0.000 3.158 210 R HA -0.190 4.156 4.340 0.010 0.000 0.244 210 R C -0.774 175.613 176.300 0.145 0.000 0.900 210 R CA 0.372 56.548 56.100 0.126 0.000 0.618 210 R CB -2.035 28.319 30.300 0.091 0.000 1.061 210 R HN 0.302 nan 8.270 nan 0.000 0.471 211 I N 1.108 121.774 120.570 0.161 0.000 2.312 211 I HA 0.098 4.274 4.170 0.010 0.000 0.290 211 I C 1.108 177.299 176.117 0.123 0.000 1.008 211 I CA -0.503 60.886 61.300 0.149 0.000 1.226 211 I CB 1.671 39.777 38.000 0.177 0.000 1.371 211 I HN 0.216 nan 8.210 nan 0.000 0.468 212 S N 3.822 119.590 115.700 0.115 0.000 2.572 212 S HA 0.090 4.566 4.470 0.010 0.000 0.279 212 S C 1.177 175.862 174.600 0.142 0.000 1.341 212 S CA -0.476 57.787 58.200 0.105 0.000 1.043 212 S CB 1.365 64.613 63.200 0.081 0.000 0.887 212 S HN 0.647 nan 8.310 nan 0.000 0.516 213 S N 2.039 117.822 115.700 0.138 0.000 2.380 213 S HA -0.208 4.268 4.470 0.010 0.000 0.229 213 S C 1.458 176.110 174.600 0.087 0.000 1.043 213 S CA 2.007 60.311 58.200 0.172 0.000 1.038 213 S CB -0.815 62.478 63.200 0.156 0.000 0.872 213 S HN 0.974 nan 8.310 nan 0.000 0.456 214 D N 0.434 120.859 120.400 0.042 0.000 2.084 214 D HA -0.096 4.550 4.640 0.010 0.000 0.196 214 D C 1.989 178.304 176.300 0.025 0.000 0.985 214 D CA 1.793 55.788 54.000 -0.008 0.000 0.826 214 D CB -0.358 40.415 40.800 -0.045 0.000 0.978 214 D HN 0.280 nan 8.370 nan 0.000 0.456 215 T N -0.312 114.285 114.554 0.071 0.000 2.624 215 T HA -0.227 4.129 4.350 0.010 0.000 0.268 215 T C 1.650 176.411 174.700 0.102 0.000 1.041 215 T CA 1.424 63.582 62.100 0.097 0.000 1.159 215 T CB -0.734 68.196 68.868 0.104 0.000 0.863 215 T HN 0.203 nan 8.240 nan 0.000 0.434 216 F N 1.156 121.092 119.950 -0.023 0.000 2.102 216 F HA 0.001 4.533 4.527 0.009 0.000 0.298 216 F C 2.079 177.848 175.800 -0.051 0.000 1.105 216 F CA 0.977 58.948 58.000 -0.048 0.000 1.239 216 F CB -0.390 38.586 39.000 -0.040 0.000 0.991 216 F HN 0.080 nan 8.300 nan 0.000 0.474 217 I N -0.671 119.872 120.570 -0.044 0.000 2.315 217 I HA -0.290 3.886 4.170 0.010 0.000 0.248 217 I C 2.151 178.171 176.117 -0.162 0.000 1.117 217 I CA 1.585 62.772 61.300 -0.188 0.000 1.404 217 I CB -0.726 37.130 38.000 -0.240 0.000 1.071 217 I HN 0.131 nan 8.210 nan 0.000 0.419 218 T N -0.042 114.459 114.554 -0.088 0.000 2.708 218 T HA -0.266 4.090 4.350 0.010 0.000 0.266 218 T C 1.763 176.418 174.700 -0.075 0.000 1.037 218 T CA 1.697 63.763 62.100 -0.057 0.000 1.146 218 T CB -0.527 68.346 68.868 0.009 0.000 0.865 218 T HN 0.375 nan 8.240 nan 0.000 0.435 219 Y N 1.683 121.868 120.300 -0.191 0.000 2.133 219 Y HA -0.123 4.433 4.550 0.009 0.000 0.287 219 Y C 2.357 178.105 175.900 -0.254 0.000 1.134 219 Y CA 1.259 59.229 58.100 -0.217 0.000 1.133 219 Y CB -0.363 37.931 38.460 -0.276 0.000 0.987 219 Y HN -0.023 nan 8.280 nan 0.000 0.502 220 M N -0.190 119.190 119.600 -0.366 0.000 2.108 220 M HA -0.290 4.195 4.480 0.010 0.000 0.261 220 M C 2.312 178.427 176.300 -0.308 0.000 1.066 220 M CA 1.812 56.866 55.300 -0.410 0.000 1.107 220 M CB -1.149 31.167 32.600 -0.473 0.000 1.356 220 M HN 0.488 nan 8.290 nan 0.000 0.406 221 M N -0.559 118.899 119.600 -0.237 0.000 2.108 221 M HA -0.189 4.297 4.480 0.010 0.000 0.261 221 M C 1.957 178.172 176.300 -0.141 0.000 1.066 221 M CA 1.812 57.020 55.300 -0.153 0.000 1.107 221 M CB -0.456 32.075 32.600 -0.115 0.000 1.356 221 M HN 0.294 nan 8.290 nan 0.000 0.406 222 T N 0.479 114.915 114.554 -0.196 0.000 2.812 222 T HA -0.093 4.263 4.350 0.010 0.000 0.264 222 T C 1.603 176.253 174.700 -0.084 0.000 1.042 222 T CA 0.943 62.974 62.100 -0.115 0.000 1.140 222 T CB -0.293 68.469 68.868 -0.177 0.000 0.870 222 T HN 0.254 nan 8.240 nan 0.000 0.445 223 L N 1.530 122.525 121.223 -0.380 0.000 2.017 223 L HA -0.007 4.339 4.340 0.010 0.000 0.208 223 L C 2.505 179.369 176.870 -0.010 0.000 1.073 223 L CA 1.946 56.592 54.840 -0.324 0.000 0.745 223 L CB -0.615 41.108 42.059 -0.560 0.000 0.894 223 L HN 0.240 nan 8.230 nan 0.000 0.432 224 E N -0.637 119.549 120.200 -0.024 0.000 2.085 224 E HA -0.277 4.079 4.350 0.010 0.000 0.194 224 E C 1.631 178.283 176.600 0.086 0.000 0.994 224 E CA 1.648 58.087 56.400 0.066 0.000 0.801 224 E CB -0.115 29.566 29.700 -0.032 0.000 0.743 224 E HN 0.541 nan 8.360 nan 0.000 0.453 225 D N -0.722 119.686 120.400 0.013 0.000 2.311 225 D HA -0.138 4.508 4.640 0.010 0.000 0.212 225 D C 1.034 177.254 176.300 -0.135 0.000 0.972 225 D CA 1.007 54.969 54.000 -0.062 0.000 0.887 225 D CB -0.161 40.566 40.800 -0.122 0.000 0.915 225 D HN 0.423 nan 8.370 nan 0.000 0.497 226 H N -1.935 117.124 119.070 -0.017 0.000 2.553 226 H HA 0.135 4.697 4.556 0.010 0.000 0.265 226 H C -0.230 175.103 175.328 0.008 0.000 0.964 226 H CA -0.058 55.970 56.048 -0.034 0.000 1.156 226 H CB 0.084 29.778 29.762 -0.114 0.000 1.411 226 H HN 0.101 nan 8.280 nan 0.000 0.558 227 Y N 1.236 121.623 120.300 0.144 0.000 2.335 227 Y HA 0.059 4.615 4.550 0.009 0.000 0.331 227 Y C 0.526 176.561 175.900 0.226 0.000 1.094 227 Y CA -0.220 57.975 58.100 0.158 0.000 1.253 227 Y CB 0.305 38.787 38.460 0.038 0.000 1.203 227 Y HN 0.249 nan 8.280 nan 0.000 0.508 228 H N 1.819 120.986 119.070 0.163 0.000 2.944 228 H HA 0.033 4.595 4.556 0.010 0.000 0.278 228 H C 1.026 176.405 175.328 0.084 0.000 1.083 228 H CA 0.122 56.229 56.048 0.097 0.000 1.479 228 H CB 0.922 30.744 29.762 0.100 0.000 1.486 228 H HN 0.833 nan 8.280 nan 0.000 0.493 229 S N 2.021 117.807 115.700 0.143 0.000 2.442 229 S HA -0.192 4.284 4.470 0.010 0.000 0.236 229 S C 1.306 175.951 174.600 0.075 0.000 1.007 229 S CA 1.207 59.457 58.200 0.082 0.000 0.965 229 S CB -0.002 63.220 63.200 0.037 0.000 0.773 229 S HN 0.770 nan 8.310 nan 0.000 0.504 230 D N 0.887 121.344 120.400 0.095 0.000 2.328 230 D HA 0.102 4.748 4.640 0.010 0.000 0.221 230 D C 0.049 176.407 176.300 0.098 0.000 1.072 230 D CA -0.219 53.828 54.000 0.078 0.000 0.850 230 D CB -0.216 40.623 40.800 0.065 0.000 0.922 230 D HN 0.313 nan 8.370 nan 0.000 0.516 231 V N 1.307 121.297 119.914 0.127 0.000 2.407 231 V HA 0.428 4.554 4.120 0.010 0.000 0.278 231 V C 1.520 177.654 176.094 0.066 0.000 1.037 231 V CA -0.236 62.129 62.300 0.108 0.000 0.900 231 V CB 1.118 33.023 31.823 0.137 0.000 0.983 231 V HN 0.215 nan 8.190 nan 0.000 0.459 232 A N 4.194 127.040 122.820 0.043 0.000 1.933 232 A HA -0.181 4.145 4.320 0.010 0.000 0.218 232 A C 1.740 179.343 177.584 0.032 0.000 1.175 232 A CA 2.072 54.122 52.037 0.022 0.000 0.628 232 A CB -0.285 18.710 19.000 -0.007 0.000 0.814 232 A HN 0.946 nan 8.150 nan 0.000 0.444 233 Y N -1.526 118.683 120.300 -0.151 0.000 2.697 233 Y HA 0.233 4.788 4.550 0.009 0.000 0.268 233 Y C 0.844 176.534 175.900 -0.350 0.000 1.092 233 Y CA 0.339 58.278 58.100 -0.268 0.000 1.304 233 Y CB 0.245 38.406 38.460 -0.498 0.000 1.446 233 Y HN 0.339 nan 8.280 nan 0.000 0.491 234 H N 2.153 121.142 119.070 -0.135 0.000 3.319 234 H HA 0.179 4.741 4.556 0.010 0.000 0.213 234 H C -0.603 174.718 175.328 -0.012 0.000 1.782 234 H CA -0.053 55.873 56.048 -0.204 0.000 1.339 234 H CB -0.953 28.544 29.762 -0.443 0.000 1.651 234 H HN 0.422 nan 8.280 nan 0.000 0.622 235 N N -1.700 116.995 118.700 -0.008 0.000 2.879 235 N HA 0.090 4.836 4.740 0.010 0.000 0.329 235 N C 1.222 176.598 175.510 -0.222 0.000 1.337 235 N CA -0.299 52.779 53.050 0.046 0.000 0.844 235 N CB 0.346 38.844 38.487 0.019 0.000 1.236 235 N HN 0.048 nan 8.380 nan 0.000 0.601 236 S N -1.093 114.461 115.700 -0.243 0.000 2.453 236 S HA -0.059 4.417 4.470 0.010 0.000 0.231 236 S C 1.584 175.957 174.600 -0.379 0.000 1.005 236 S CA 0.206 58.105 58.200 -0.501 0.000 0.949 236 S CB -0.543 62.511 63.200 -0.243 0.000 0.774 236 S HN 0.440 nan 8.310 nan 0.000 0.510 237 L N 1.971 123.050 121.223 -0.238 0.000 2.042 237 L HA -0.055 4.291 4.340 0.010 0.000 0.210 237 L C 2.478 179.239 176.870 -0.181 0.000 1.076 237 L CA 2.327 57.050 54.840 -0.195 0.000 0.749 237 L CB -1.133 40.817 42.059 -0.181 0.000 0.893 237 L HN 0.581 nan 8.230 nan 0.000 0.432 238 H N -0.676 118.171 119.070 -0.370 0.000 2.321 238 H HA -0.068 4.493 4.556 0.009 0.000 0.300 238 H C 2.030 177.101 175.328 -0.429 0.000 1.087 238 H CA 1.792 57.508 56.048 -0.554 0.000 1.319 238 H CB -0.185 29.111 29.762 -0.777 0.000 1.379 238 H HN 0.357 nan 8.280 nan 0.000 0.501 239 A N 0.964 123.400 122.820 -0.641 0.000 1.902 239 A HA -0.055 4.271 4.320 0.010 0.000 0.217 239 A C 2.646 180.001 177.584 -0.380 0.000 1.181 239 A CA 1.800 53.476 52.037 -0.601 0.000 0.623 239 A CB -1.374 17.094 19.000 -0.887 0.000 0.818 239 A HN 0.645 nan 8.150 nan 0.000 0.443 240 A N 0.009 122.627 122.820 -0.336 0.000 1.902 240 A HA -0.200 4.125 4.320 0.010 0.000 0.217 240 A C 1.849 179.321 177.584 -0.187 0.000 1.181 240 A CA 2.196 54.113 52.037 -0.200 0.000 0.623 240 A CB -0.677 18.225 19.000 -0.163 0.000 0.818 240 A HN 0.559 nan 8.150 nan 0.000 0.443 241 D N -0.505 119.745 120.400 -0.251 0.000 2.117 241 D HA -0.115 4.530 4.640 0.010 0.000 0.197 241 D C 1.731 177.864 176.300 -0.279 0.000 0.987 241 D CA 1.611 55.463 54.000 -0.247 0.000 0.829 241 D CB -0.103 40.491 40.800 -0.344 0.000 0.961 241 D HN 0.150 nan 8.370 nan 0.000 0.460 242 V N 0.525 120.231 119.914 -0.345 0.000 2.453 242 V HA -0.091 4.034 4.120 0.010 0.000 0.247 242 V C 2.537 178.539 176.094 -0.153 0.000 1.048 242 V CA 1.484 63.614 62.300 -0.284 0.000 1.049 242 V CB -0.732 30.881 31.823 -0.349 0.000 0.672 242 V HN 0.332 nan 8.190 nan 0.000 0.457 243 A N -0.705 122.052 122.820 -0.104 0.000 1.858 243 A HA -0.275 4.051 4.320 0.010 0.000 0.216 243 A C 2.257 179.865 177.584 0.039 0.000 1.190 243 A CA 1.915 53.952 52.037 0.001 0.000 0.617 243 A CB -0.591 18.433 19.000 0.041 0.000 0.827 243 A HN 0.478 nan 8.150 nan 0.000 0.443 244 Q N 0.171 119.970 119.800 -0.001 0.000 2.124 244 Q HA -0.137 4.209 4.340 0.010 0.000 0.202 244 Q C 2.208 178.247 176.000 0.065 0.000 0.977 244 Q CA 1.938 57.767 55.803 0.043 0.000 0.850 244 Q CB -0.212 28.515 28.738 -0.018 0.000 0.901 244 Q HN 0.618 nan 8.270 nan 0.000 0.429 245 S N -0.108 115.562 115.700 -0.051 0.000 2.383 245 S HA -0.084 4.391 4.470 0.010 0.000 0.227 245 S C 1.963 176.662 174.600 0.165 0.000 1.026 245 S CA 1.491 59.670 58.200 -0.035 0.000 0.981 245 S CB -0.308 62.764 63.200 -0.214 0.000 0.818 245 S HN 0.454 nan 8.310 nan 0.000 0.472 246 T N 1.010 115.610 114.554 0.077 0.000 2.708 246 T HA -0.166 4.189 4.350 0.010 0.000 0.266 246 T C 1.709 176.475 174.700 0.110 0.000 1.037 246 T CA 1.817 63.954 62.100 0.062 0.000 1.146 246 T CB -0.580 68.293 68.868 0.009 0.000 0.865 246 T HN 0.609 nan 8.240 nan 0.000 0.435 247 H N 1.110 120.218 119.070 0.062 0.000 2.357 247 H HA -0.105 4.456 4.556 0.010 0.000 0.296 247 H C 1.918 177.316 175.328 0.117 0.000 1.108 247 H CA 1.895 57.987 56.048 0.073 0.000 1.273 247 H CB -0.635 29.169 29.762 0.070 0.000 1.367 247 H HN 0.172 nan 8.280 nan 0.000 0.498 248 V N 0.541 120.488 119.914 0.054 0.000 2.323 248 V HA -0.203 3.923 4.120 0.010 0.000 0.244 248 V C 2.808 178.959 176.094 0.095 0.000 1.041 248 V CA 1.634 63.972 62.300 0.063 0.000 1.025 248 V CB -0.691 31.352 31.823 0.366 0.000 0.656 248 V HN 0.402 nan 8.190 nan 0.000 0.451 249 L N -0.518 120.817 121.223 0.188 0.000 2.043 249 L HA -0.258 4.088 4.340 0.010 0.000 0.212 249 L C 2.473 179.439 176.870 0.160 0.000 1.075 249 L CA 1.697 56.641 54.840 0.172 0.000 0.752 249 L CB -0.645 41.469 42.059 0.092 0.000 0.891 249 L HN 0.309 nan 8.230 nan 0.000 0.432 250 L N -1.012 120.253 121.223 0.071 0.000 2.127 250 L HA -0.209 4.136 4.340 0.010 0.000 0.211 250 L C 2.247 179.165 176.870 0.080 0.000 1.089 250 L CA 0.982 55.863 54.840 0.068 0.000 0.757 250 L CB -0.319 41.740 42.059 0.001 0.000 0.899 250 L HN 0.140 nan 8.230 nan 0.000 0.434 251 S N -1.461 114.233 115.700 -0.010 0.000 2.671 251 S HA -0.006 4.469 4.470 0.010 0.000 0.220 251 S C 0.814 175.435 174.600 0.036 0.000 0.951 251 S CA 0.008 58.200 58.200 -0.013 0.000 0.932 251 S CB -0.279 62.859 63.200 -0.103 0.000 0.777 251 S HN 0.302 nan 8.310 nan 0.000 0.508 252 T N 2.863 117.467 114.554 0.084 0.000 2.930 252 T HA 0.134 4.490 4.350 0.010 0.000 0.306 252 T C -1.730 172.995 174.700 0.041 0.000 1.045 252 T CA -1.525 60.621 62.100 0.077 0.000 1.134 252 T CB 0.866 69.818 68.868 0.139 0.000 0.961 252 T HN 0.028 nan 8.240 nan 0.000 0.545 253 P HA 0.034 nan 4.420 nan 0.000 0.218 253 P C 1.038 178.324 177.300 -0.024 0.000 1.149 253 P CA 0.706 63.803 63.100 -0.005 0.000 0.817 253 P CB 0.040 31.733 31.700 -0.012 0.000 0.785 254 A N -1.068 121.726 122.820 -0.043 0.000 2.172 254 A HA -0.045 4.280 4.320 0.010 0.000 0.216 254 A C 1.741 179.273 177.584 -0.086 0.000 1.154 254 A CA 1.026 53.015 52.037 -0.079 0.000 0.701 254 A CB -1.229 17.699 19.000 -0.120 0.000 0.789 254 A HN 0.184 nan 8.150 nan 0.000 0.465 255 L N -0.806 120.394 121.223 -0.039 0.000 2.728 255 L HA 0.149 4.495 4.340 0.010 0.000 0.238 255 L C 0.070 176.916 176.870 -0.040 0.000 1.143 255 L CA -0.395 54.422 54.840 -0.040 0.000 0.937 255 L CB -0.171 41.975 42.059 0.144 0.000 1.225 255 L HN 0.200 nan 8.230 nan 0.000 0.507 256 D N 1.618 122.003 120.400 -0.024 0.000 2.570 256 D HA 0.137 4.783 4.640 0.010 0.000 0.243 256 D C 1.244 177.518 176.300 -0.043 0.000 1.171 256 D CA 1.063 55.056 54.000 -0.013 0.000 0.879 256 D CB 0.651 41.441 40.800 -0.016 0.000 1.143 256 D HN 0.326 nan 8.370 nan 0.000 0.511 257 A N 2.404 125.214 122.820 -0.017 0.000 2.979 257 A HA -0.246 4.080 4.320 0.010 0.000 0.260 257 A C 1.756 179.279 177.584 -0.101 0.000 1.282 257 A CA 1.047 53.066 52.037 -0.030 0.000 0.971 257 A CB -1.941 17.041 19.000 -0.028 0.000 1.124 257 A HN 0.491 nan 8.150 nan 0.000 0.826 258 V N -1.507 118.274 119.914 -0.221 0.000 2.358 258 V HA -0.008 4.118 4.120 0.010 0.000 0.246 258 V C 1.299 177.090 176.094 -0.506 0.000 1.047 258 V CA 2.132 64.156 62.300 -0.460 0.000 1.035 258 V CB -0.464 30.903 31.823 -0.760 0.000 0.658 258 V HN 0.552 nan 8.190 nan 0.000 0.452 259 F N 0.275 120.238 119.950 0.021 0.000 2.399 259 F HA 0.481 5.013 4.527 0.007 0.000 0.328 259 F C 0.988 176.815 175.800 0.045 0.000 1.084 259 F CA -0.914 57.108 58.000 0.036 0.000 1.053 259 F CB 0.497 39.524 39.000 0.045 0.000 1.209 259 F HN -0.060 nan 8.300 nan 0.000 0.502 260 T N -2.543 112.160 114.554 0.249 0.000 2.788 260 T HA 0.119 4.475 4.350 0.010 0.000 0.287 260 T C 0.646 175.461 174.700 0.190 0.000 1.007 260 T CA -0.655 61.548 62.100 0.172 0.000 1.005 260 T CB 0.723 69.683 68.868 0.152 0.000 1.012 260 T HN 0.486 nan 8.240 nan 0.000 0.530 261 D N -0.271 120.230 120.400 0.169 0.000 2.178 261 D HA -0.051 4.595 4.640 0.010 0.000 0.201 261 D C 1.841 178.363 176.300 0.370 0.000 0.980 261 D CA 0.574 54.705 54.000 0.217 0.000 0.842 261 D CB -0.291 40.568 40.800 0.097 0.000 0.948 261 D HN 0.403 nan 8.370 nan 0.000 0.472 262 L N 1.163 122.595 121.223 0.348 0.000 2.056 262 L HA -0.109 4.237 4.340 0.010 0.000 0.207 262 L C 1.877 178.795 176.870 0.079 0.000 1.078 262 L CA 1.694 56.657 54.840 0.204 0.000 0.749 262 L CB -0.303 41.849 42.059 0.156 0.000 0.901 262 L HN -0.071 nan 8.230 nan 0.000 0.433 263 E N -0.493 119.784 120.200 0.128 0.000 2.106 263 E HA -0.210 4.146 4.350 0.010 0.000 0.192 263 E C 2.285 178.897 176.600 0.020 0.000 0.984 263 E CA 1.489 57.943 56.400 0.090 0.000 0.806 263 E CB -0.180 29.627 29.700 0.178 0.000 0.750 263 E HN 0.533 nan 8.360 nan 0.000 0.458 264 I N 0.736 121.346 120.570 0.066 0.000 2.179 264 I HA -0.257 3.919 4.170 0.010 0.000 0.242 264 I C 2.419 178.542 176.117 0.010 0.000 1.088 264 I CA 0.610 61.924 61.300 0.024 0.000 1.357 264 I CB -0.087 37.959 38.000 0.077 0.000 1.051 264 I HN 0.146 nan 8.210 nan 0.000 0.409 265 L N 1.086 122.325 121.223 0.025 0.000 2.017 265 L HA -0.172 4.174 4.340 0.010 0.000 0.208 265 L C 2.561 179.470 176.870 0.065 0.000 1.073 265 L CA 2.219 57.047 54.840 -0.020 0.000 0.745 265 L CB -0.783 41.169 42.059 -0.177 0.000 0.894 265 L HN 0.188 nan 8.230 nan 0.000 0.432 266 A N -0.292 122.534 122.820 0.009 0.000 1.908 266 A HA -0.180 4.146 4.320 0.010 0.000 0.218 266 A C 2.462 180.142 177.584 0.160 0.000 1.181 266 A CA 2.194 54.281 52.037 0.083 0.000 0.627 266 A CB -1.308 17.712 19.000 0.034 0.000 0.818 266 A HN 0.641 nan 8.150 nan 0.000 0.445 267 A N -0.281 122.579 122.820 0.067 0.000 1.898 267 A HA -0.040 4.286 4.320 0.010 0.000 0.216 267 A C 2.112 179.750 177.584 0.090 0.000 1.181 267 A CA 1.506 53.561 52.037 0.031 0.000 0.620 267 A CB -0.574 18.377 19.000 -0.082 0.000 0.819 267 A HN 0.499 nan 8.150 nan 0.000 0.442 268 I N -1.943 118.705 120.570 0.129 0.000 2.394 268 I HA -0.177 3.999 4.170 0.010 0.000 0.251 268 I C 2.293 178.604 176.117 0.323 0.000 1.136 268 I CA 1.146 62.563 61.300 0.195 0.000 1.425 268 I CB -0.266 37.834 38.000 0.166 0.000 1.079 268 I HN 0.432 nan 8.210 nan 0.000 0.425 269 F N 1.897 121.990 119.950 0.238 0.000 2.084 269 F HA -0.179 4.353 4.527 0.008 0.000 0.296 269 F C 2.535 178.440 175.800 0.175 0.000 1.111 269 F CA 1.376 59.535 58.000 0.265 0.000 1.224 269 F CB -0.470 38.716 39.000 0.309 0.000 0.991 269 F HN -0.004 nan 8.300 nan 0.000 0.471 270 A N 0.661 123.594 122.820 0.187 0.000 1.892 270 A HA -0.202 4.124 4.320 0.010 0.000 0.218 270 A C 2.433 180.041 177.584 0.040 0.000 1.188 270 A CA 2.347 54.428 52.037 0.074 0.000 0.631 270 A CB -1.703 17.381 19.000 0.139 0.000 0.822 270 A HN 0.557 nan 8.150 nan 0.000 0.447 271 A N -0.383 122.462 122.820 0.042 0.000 1.908 271 A HA 0.128 4.453 4.320 0.010 0.000 0.218 271 A C 2.513 180.182 177.584 0.140 0.000 1.181 271 A CA 2.271 54.322 52.037 0.024 0.000 0.627 271 A CB -1.021 17.963 19.000 -0.027 0.000 0.818 271 A HN 1.155 nan 8.150 nan 0.000 0.445 272 A N 0.365 123.213 122.820 0.046 0.000 1.930 272 A HA -0.033 4.293 4.320 0.010 0.000 0.217 272 A C 2.034 179.616 177.584 -0.003 0.000 1.175 272 A CA 1.516 53.556 52.037 0.004 0.000 0.627 272 A CB -0.684 18.327 19.000 0.018 0.000 0.815 272 A HN 1.055 nan 8.150 nan 0.000 0.443 273 I N -3.022 117.467 120.570 -0.136 0.000 3.793 273 I HA 0.040 4.216 4.170 0.010 0.000 0.315 273 I C 1.907 177.975 176.117 -0.080 0.000 1.275 273 I CA 0.741 61.947 61.300 -0.158 0.000 1.214 273 I CB -0.536 37.207 38.000 -0.428 0.000 1.018 273 I HN 0.486 nan 8.210 nan 0.000 0.439 274 H N 0.152 119.188 119.070 -0.056 0.000 2.521 274 H HA -0.046 4.515 4.556 0.010 0.000 0.286 274 H C 0.089 175.260 175.328 -0.261 0.000 1.034 274 H CA 1.118 57.134 56.048 -0.053 0.000 1.278 274 H CB -0.212 29.549 29.762 -0.002 0.000 1.386 274 H HN 0.392 nan 8.280 nan 0.000 0.567 275 D N 1.185 121.088 120.400 -0.828 0.000 2.571 275 D HA 0.119 4.765 4.640 0.010 0.000 0.239 275 D C -0.099 175.751 176.300 -0.751 0.000 1.267 275 D CA -0.273 53.116 54.000 -1.019 0.000 0.823 275 D CB 0.894 41.531 40.800 -0.273 0.000 1.056 275 D HN 0.116 nan 8.370 nan 0.000 0.494 276 V N 1.431 120.900 119.914 -0.743 0.000 2.673 276 V HA 0.017 4.143 4.120 0.010 0.000 0.303 276 V C 0.756 176.664 176.094 -0.310 0.000 1.046 276 V CA 0.636 62.324 62.300 -1.020 0.000 1.126 276 V CB 0.925 32.300 31.823 -0.747 0.000 0.934 276 V HN 0.334 nan 8.190 nan 0.000 0.487 277 D N 3.170 123.394 120.400 -0.293 0.000 3.012 277 D HA -0.229 4.417 4.640 0.010 0.000 0.222 277 D C 0.230 176.524 176.300 -0.011 0.000 1.167 277 D CA 1.257 55.298 54.000 0.068 0.000 0.854 277 D CB -1.636 39.297 40.800 0.223 0.000 1.107 277 D HN 0.891 nan 8.370 nan 0.000 0.421 278 H N 0.210 119.207 119.070 -0.121 0.000 3.070 278 H HA 0.093 4.655 4.556 0.009 0.000 0.313 278 H C -1.476 173.621 175.328 -0.385 0.000 0.997 278 H CA 0.034 56.045 56.048 -0.063 0.000 1.438 278 H CB 1.174 30.930 29.762 -0.011 0.000 1.455 278 H HN 0.159 nan 8.280 nan 0.000 0.575 279 P HA 0.087 nan 4.420 nan 0.000 0.249 279 P C 0.572 177.940 177.300 0.113 0.000 1.229 279 P CA 0.990 64.044 63.100 -0.077 0.000 0.788 279 P CB 0.442 32.123 31.700 -0.032 0.000 1.072 280 G N -0.033 109.025 108.800 0.429 0.000 2.137 280 G HA2 -0.142 3.824 3.960 0.010 0.000 0.237 280 G HA3 -0.142 3.824 3.960 0.010 0.000 0.237 280 G C -0.007 174.994 174.900 0.168 0.000 1.002 280 G CA 0.105 45.373 45.100 0.280 0.000 0.702 280 G HN 0.554 nan 8.290 nan 0.000 0.515 281 V N -2.733 117.263 119.914 0.137 0.000 3.049 281 V HA 0.946 5.072 4.120 0.010 0.000 0.309 281 V C 0.489 176.634 176.094 0.086 0.000 1.148 281 V CA -0.207 62.062 62.300 -0.050 0.000 0.990 281 V CB 1.471 33.001 31.823 -0.488 0.000 1.039 281 V HN 1.403 nan 8.190 nan 0.000 0.430 282 S N 1.573 117.349 115.700 0.127 0.000 2.624 282 S HA 0.293 4.769 4.470 0.010 0.000 0.263 282 S C 0.811 175.491 174.600 0.133 0.000 1.287 282 S CA -0.017 58.276 58.200 0.155 0.000 0.990 282 S CB 0.494 63.781 63.200 0.145 0.000 0.950 282 S HN 0.824 nan 8.310 nan 0.000 0.561 283 N N 0.957 119.717 118.700 0.100 0.000 2.036 283 N HA -0.179 4.567 4.740 0.010 0.000 0.195 283 N C 1.756 177.319 175.510 0.090 0.000 1.037 283 N CA 1.823 54.919 53.050 0.077 0.000 0.855 283 N CB -0.898 37.633 38.487 0.072 0.000 1.033 283 N HN 0.777 nan 8.380 nan 0.000 0.423 284 Q N 0.008 119.863 119.800 0.092 0.000 2.135 284 Q HA -0.053 4.293 4.340 0.010 0.000 0.204 284 Q C 1.865 177.914 176.000 0.082 0.000 0.981 284 Q CA 1.106 56.948 55.803 0.066 0.000 0.856 284 Q CB -0.556 28.207 28.738 0.041 0.000 0.902 284 Q HN 0.421 nan 8.270 nan 0.000 0.425 285 F N -0.237 119.715 119.950 0.003 0.000 2.126 285 F HA -0.174 4.358 4.527 0.009 0.000 0.299 285 F C 1.521 177.321 175.800 0.000 0.000 1.096 285 F CA 1.379 59.382 58.000 0.005 0.000 1.255 285 F CB -0.170 38.841 39.000 0.019 0.000 0.997 285 F HN 0.102 nan 8.300 nan 0.000 0.479 286 L N -0.108 121.252 121.223 0.229 0.000 2.046 286 L HA -0.231 4.114 4.340 0.010 0.000 0.208 286 L C 2.461 179.325 176.870 -0.011 0.000 1.077 286 L CA 1.391 56.305 54.840 0.124 0.000 0.747 286 L CB -0.646 41.475 42.059 0.103 0.000 0.896 286 L HN 0.189 nan 8.230 nan 0.000 0.432 287 I N -0.100 120.466 120.570 -0.007 0.000 2.226 287 I HA -0.273 3.903 4.170 0.010 0.000 0.245 287 I C 2.015 178.087 176.117 -0.074 0.000 1.100 287 I CA 1.082 62.366 61.300 -0.027 0.000 1.374 287 I CB -0.387 37.611 38.000 -0.003 0.000 1.057 287 I HN 0.346 nan 8.210 nan 0.000 0.413 288 N N 0.290 118.916 118.700 -0.122 0.000 2.396 288 N HA -0.087 4.659 4.740 0.010 0.000 0.180 288 N C 1.602 176.985 175.510 -0.211 0.000 1.028 288 N CA 1.669 54.624 53.050 -0.157 0.000 0.893 288 N CB -0.297 38.085 38.487 -0.175 0.000 0.967 288 N HN 0.442 nan 8.380 nan 0.000 0.440 289 T N -1.984 112.395 114.554 -0.292 0.000 3.163 289 T HA 0.143 4.499 4.350 0.010 0.000 0.252 289 T C 0.204 174.825 174.700 -0.132 0.000 1.056 289 T CA -0.472 61.468 62.100 -0.266 0.000 0.947 289 T CB -0.152 68.455 68.868 -0.435 0.000 1.016 289 T HN -0.026 nan 8.240 nan 0.000 0.554 290 N N 1.660 120.302 118.700 -0.098 0.000 2.727 290 N HA -0.158 4.588 4.740 0.010 0.000 0.249 290 N C 0.049 175.534 175.510 -0.042 0.000 1.048 290 N CA 1.008 54.023 53.050 -0.058 0.000 0.714 290 N CB -1.737 36.720 38.487 -0.050 0.000 0.959 290 N HN 0.744 nan 8.380 nan 0.000 0.544 291 S N 0.178 115.859 115.700 -0.032 0.000 2.563 291 S HA -0.012 4.464 4.470 0.010 0.000 0.284 291 S C 1.644 176.225 174.600 -0.031 0.000 1.331 291 S CA 0.422 58.613 58.200 -0.014 0.000 1.047 291 S CB 0.907 64.112 63.200 0.008 0.000 0.859 291 S HN 0.409 nan 8.310 nan 0.000 0.514 292 E N 3.846 124.023 120.200 -0.038 0.000 2.209 292 E HA -0.186 4.169 4.350 0.010 0.000 0.196 292 E C 1.740 178.287 176.600 -0.087 0.000 0.993 292 E CA 1.286 57.651 56.400 -0.058 0.000 0.819 292 E CB -0.465 29.203 29.700 -0.053 0.000 0.745 292 E HN 0.765 nan 8.360 nan 0.000 0.477 293 L N 0.847 122.022 121.223 -0.079 0.000 2.056 293 L HA -0.118 4.228 4.340 0.010 0.000 0.207 293 L C 2.822 179.701 176.870 0.016 0.000 1.078 293 L CA 1.141 55.946 54.840 -0.059 0.000 0.749 293 L CB -0.534 41.478 42.059 -0.078 0.000 0.901 293 L HN 0.254 nan 8.230 nan 0.000 0.433 294 A N 0.044 122.870 122.820 0.010 0.000 1.930 294 A HA -0.109 4.217 4.320 0.010 0.000 0.217 294 A C 2.255 179.840 177.584 0.001 0.000 1.175 294 A CA 1.183 53.241 52.037 0.034 0.000 0.627 294 A CB -0.539 18.470 19.000 0.015 0.000 0.815 294 A HN 0.346 nan 8.150 nan 0.000 0.443 295 L N -1.550 119.648 121.223 -0.043 0.000 2.056 295 L HA -0.124 4.221 4.340 0.010 0.000 0.207 295 L C 2.794 179.600 176.870 -0.107 0.000 1.078 295 L CA 1.518 56.322 54.840 -0.059 0.000 0.749 295 L CB -0.415 41.607 42.059 -0.061 0.000 0.901 295 L HN 0.457 nan 8.230 nan 0.000 0.433 296 M N -1.173 118.305 119.600 -0.204 0.000 2.213 296 M HA -0.211 4.275 4.480 0.010 0.000 0.263 296 M C 0.792 176.796 176.300 -0.493 0.000 1.062 296 M CA 1.811 56.873 55.300 -0.397 0.000 1.105 296 M CB 0.170 32.390 32.600 -0.634 0.000 1.385 296 M HN 0.153 nan 8.290 nan 0.000 0.417 297 Y N 0.175 120.472 120.300 -0.004 0.000 2.720 297 Y HA 0.276 4.831 4.550 0.009 0.000 0.277 297 Y C 0.395 176.296 175.900 0.003 0.000 1.144 297 Y CA -0.957 57.145 58.100 0.003 0.000 1.221 297 Y CB -0.585 37.877 38.460 0.003 0.000 1.163 297 Y HN 0.285 nan 8.280 nan 0.000 0.537 298 N N 0.934 119.680 118.700 0.076 0.000 2.696 298 N HA -0.275 4.471 4.740 0.010 0.000 0.249 298 N C -0.588 174.962 175.510 0.067 0.000 1.090 298 N CA 1.584 54.668 53.050 0.057 0.000 0.716 298 N CB -0.941 37.579 38.487 0.054 0.000 1.020 298 N HN 0.505 nan 8.380 nan 0.000 0.548 299 D N -1.745 118.703 120.400 0.080 0.000 3.077 299 D HA -0.205 4.441 4.640 0.010 0.000 0.212 299 D C 0.140 176.482 176.300 0.070 0.000 1.125 299 D CA 1.884 55.922 54.000 0.064 0.000 0.970 299 D CB -1.040 39.784 40.800 0.039 0.000 1.110 299 D HN 0.863 nan 8.370 nan 0.000 0.419 300 E N -0.036 120.217 120.200 0.088 0.000 2.145 300 E HA 0.556 4.912 4.350 0.010 0.000 0.270 300 E C -0.147 176.478 176.600 0.042 0.000 0.906 300 E CA -0.391 56.048 56.400 0.065 0.000 0.761 300 E CB 1.131 30.869 29.700 0.063 0.000 1.116 300 E HN -0.021 nan 8.360 nan 0.000 0.408 301 S N 2.617 118.336 115.700 0.032 0.000 3.378 301 S HA -0.180 4.296 4.470 0.010 0.000 0.365 301 S C 1.138 175.701 174.600 -0.062 0.000 0.951 301 S CA 0.491 58.694 58.200 0.005 0.000 1.274 301 S CB -1.662 61.539 63.200 0.001 0.000 0.915 301 S HN 0.500 nan 8.310 nan 0.000 0.513 302 V N 0.740 120.643 119.914 -0.018 0.000 2.231 302 V HA -0.256 3.870 4.120 0.010 0.000 0.248 302 V C 2.241 178.246 176.094 -0.148 0.000 1.054 302 V CA 2.506 64.800 62.300 -0.009 0.000 1.015 302 V CB -0.452 31.404 31.823 0.055 0.000 0.638 302 V HN 0.704 nan 8.190 nan 0.000 0.444 303 L N -0.684 120.438 121.223 -0.168 0.000 2.093 303 L HA -0.152 4.194 4.340 0.010 0.000 0.208 303 L C 2.594 179.106 176.870 -0.597 0.000 1.085 303 L CA 1.276 55.889 54.840 -0.378 0.000 0.755 303 L CB -0.497 41.357 42.059 -0.342 0.000 0.904 303 L HN 0.340 nan 8.230 nan 0.000 0.435 304 E N 0.042 120.116 120.200 -0.211 0.000 2.077 304 E HA -0.181 4.175 4.350 0.010 0.000 0.193 304 E C 1.966 178.478 176.600 -0.146 0.000 0.989 304 E CA 0.960 57.351 56.400 -0.015 0.000 0.800 304 E CB -0.207 29.545 29.700 0.086 0.000 0.746 304 E HN 0.356 nan 8.360 nan 0.000 0.452 305 N N 0.013 118.512 118.700 -0.335 0.000 2.149 305 N HA -0.196 4.550 4.740 0.010 0.000 0.188 305 N C 1.809 177.039 175.510 -0.467 0.000 1.019 305 N CA 1.329 54.050 53.050 -0.549 0.000 0.857 305 N CB -0.293 37.492 38.487 -1.169 0.000 0.997 305 N HN 0.281 nan 8.380 nan 0.000 0.426 306 H N 0.773 119.517 119.070 -0.543 0.000 2.389 306 H HA -0.034 4.527 4.556 0.009 0.000 0.299 306 H C 1.793 177.048 175.328 -0.121 0.000 1.081 306 H CA 1.628 57.551 56.048 -0.208 0.000 1.345 306 H CB -0.077 29.577 29.762 -0.179 0.000 1.393 306 H HN 0.283 nan 8.280 nan 0.000 0.520 307 H N 0.001 118.998 119.070 -0.122 0.000 2.353 307 H HA -0.103 4.458 4.556 0.009 0.000 0.300 307 H C 2.557 177.835 175.328 -0.084 0.000 1.090 307 H CA 1.452 57.406 56.048 -0.158 0.000 1.327 307 H CB -0.474 29.253 29.762 -0.059 0.000 1.383 307 H HN 0.361 nan 8.280 nan 0.000 0.508 308 L N 0.125 121.419 121.223 0.119 0.000 2.017 308 L HA -0.143 4.203 4.340 0.010 0.000 0.208 308 L C 2.885 179.919 176.870 0.274 0.000 1.073 308 L CA 1.105 56.089 54.840 0.240 0.000 0.745 308 L CB -0.524 41.657 42.059 0.203 0.000 0.894 308 L HN 0.220 nan 8.230 nan 0.000 0.432 309 A N -0.518 122.375 122.820 0.122 0.000 1.902 309 A HA -0.139 4.186 4.320 0.010 0.000 0.217 309 A C 2.322 179.956 177.584 0.083 0.000 1.181 309 A CA 1.795 53.917 52.037 0.143 0.000 0.623 309 A CB -0.795 18.307 19.000 0.170 0.000 0.818 309 A HN 0.197 nan 8.150 nan 0.000 0.443 310 V N -0.171 119.690 119.914 -0.087 0.000 2.307 310 V HA -0.140 3.986 4.120 0.010 0.000 0.245 310 V C 2.831 178.878 176.094 -0.079 0.000 1.045 310 V CA 1.911 64.122 62.300 -0.149 0.000 1.024 310 V CB -1.448 30.183 31.823 -0.321 0.000 0.651 310 V HN 0.598 nan 8.190 nan 0.000 0.449 311 G N -1.026 107.744 108.800 -0.051 0.000 2.432 311 G HA2 -0.231 3.735 3.960 0.010 0.000 0.219 311 G HA3 -0.231 3.735 3.960 0.010 0.000 0.219 311 G C 1.465 176.401 174.900 0.060 0.000 1.135 311 G CA 0.718 45.782 45.100 -0.061 0.000 0.767 311 G HN 0.467 nan 8.290 nan 0.000 0.550 312 F N 0.419 120.492 119.950 0.205 0.000 2.270 312 F HA 0.223 4.756 4.527 0.011 0.000 0.295 312 F C 2.524 178.412 175.800 0.147 0.000 1.087 312 F CA 1.087 59.228 58.000 0.235 0.000 1.365 312 F CB 0.001 39.120 39.000 0.199 0.000 1.056 312 F HN 0.000 nan 8.300 nan 0.000 0.506 313 K N 0.736 121.279 120.400 0.238 0.000 2.152 313 K HA -0.154 4.171 4.320 0.010 0.000 0.206 313 K C 1.859 178.512 176.600 0.089 0.000 1.048 313 K CA 1.166 57.533 56.287 0.134 0.000 0.933 313 K CB -0.317 32.224 32.500 0.068 0.000 0.721 313 K HN 0.293 nan 8.250 nan 0.000 0.447 314 L N 1.021 122.284 121.223 0.066 0.000 2.362 314 L HA -0.117 4.229 4.340 0.010 0.000 0.219 314 L C 2.054 179.048 176.870 0.207 0.000 1.134 314 L CA 0.311 55.177 54.840 0.043 0.000 0.807 314 L CB -0.273 41.709 42.059 -0.129 0.000 0.927 314 L HN 0.187 nan 8.230 nan 0.000 0.447 315 L N -0.520 120.837 121.223 0.224 0.000 2.127 315 L HA -0.225 4.121 4.340 0.010 0.000 0.211 315 L C 2.326 179.238 176.870 0.071 0.000 1.089 315 L CA 0.959 55.849 54.840 0.083 0.000 0.757 315 L CB -0.464 41.608 42.059 0.021 0.000 0.899 315 L HN 0.380 nan 8.230 nan 0.000 0.434 316 Q N -0.331 119.517 119.800 0.081 0.000 2.482 316 Q HA 0.032 4.378 4.340 0.010 0.000 0.209 316 Q C 0.344 176.362 176.000 0.030 0.000 0.961 316 Q CA 0.341 56.174 55.803 0.050 0.000 0.945 316 Q CB -0.185 28.585 28.738 0.054 0.000 1.012 316 Q HN 0.334 nan 8.270 nan 0.000 0.515 317 E N 1.453 121.677 120.200 0.040 0.000 2.390 317 E HA 0.027 4.383 4.350 0.010 0.000 0.261 317 E C -0.283 176.323 176.600 0.010 0.000 1.076 317 E CA -0.035 56.380 56.400 0.026 0.000 0.905 317 E CB 0.432 30.151 29.700 0.031 0.000 0.984 317 E HN 0.028 nan 8.360 nan 0.000 0.427 318 E N 2.152 122.344 120.200 -0.012 0.000 2.465 318 E HA -0.129 4.227 4.350 0.010 0.000 0.260 318 E C -0.392 176.201 176.600 -0.012 0.000 0.980 318 E CA 0.432 56.774 56.400 -0.096 0.000 0.927 318 E CB 0.079 29.718 29.700 -0.103 0.000 0.934 318 E HN 0.523 nan 8.360 nan 0.000 0.459 319 H N 0.665 119.746 119.070 0.017 0.000 2.992 319 H HA -0.182 4.380 4.556 0.010 0.000 0.266 319 H C 0.415 175.755 175.328 0.021 0.000 1.200 319 H CA 0.756 56.814 56.048 0.016 0.000 1.135 319 H CB -1.862 27.907 29.762 0.011 0.000 1.282 319 H HN 0.473 nan 8.280 nan 0.000 0.351 320 C N -0.168 119.190 119.300 0.097 0.000 3.228 320 C HA 0.060 4.526 4.460 0.010 0.000 0.290 320 C C 1.253 176.249 174.990 0.010 0.000 1.301 320 C CA -0.191 58.893 59.018 0.110 0.000 1.703 320 C CB 0.135 27.971 27.740 0.160 0.000 2.141 320 C HN 0.397 nan 8.230 nan 0.000 0.656 321 D N 2.076 122.459 120.400 -0.028 0.000 2.416 321 D HA 0.091 4.737 4.640 0.010 0.000 0.240 321 D C 1.291 177.478 176.300 -0.189 0.000 1.250 321 D CA -0.053 53.877 54.000 -0.116 0.000 0.967 321 D CB -0.057 40.722 40.800 -0.034 0.000 1.059 321 D HN 0.596 nan 8.370 nan 0.000 0.512 322 I N -0.868 119.427 120.570 -0.458 0.000 3.176 322 I HA -0.009 4.167 4.170 0.010 0.000 0.275 322 I C 0.467 176.373 176.117 -0.351 0.000 1.298 322 I CA 0.416 61.457 61.300 -0.432 0.000 1.445 322 I CB -0.273 37.355 38.000 -0.621 0.000 1.075 322 I HN 0.036 nan 8.210 nan 0.000 0.482 323 F N 0.473 120.330 119.950 -0.155 0.000 2.664 323 F HA 0.355 4.889 4.527 0.011 0.000 0.303 323 F C 2.017 177.791 175.800 -0.043 0.000 1.092 323 F CA -0.496 57.426 58.000 -0.129 0.000 1.305 323 F CB -0.479 38.405 39.000 -0.193 0.000 1.054 323 F HN 0.017 nan 8.300 nan 0.000 0.565 324 M N 0.410 120.072 119.600 0.103 0.000 2.146 324 M HA -0.320 4.166 4.480 0.010 0.000 0.256 324 M C 1.124 177.485 176.300 0.102 0.000 1.075 324 M CA 1.898 57.250 55.300 0.085 0.000 1.082 324 M CB -0.185 32.449 32.600 0.057 0.000 1.355 324 M HN 0.052 nan 8.290 nan 0.000 0.402 325 N N -0.136 118.642 118.700 0.130 0.000 2.336 325 N HA 0.221 4.967 4.740 0.010 0.000 0.189 325 N C -0.494 175.109 175.510 0.155 0.000 1.113 325 N CA 0.144 53.275 53.050 0.134 0.000 0.858 325 N CB 0.062 38.633 38.487 0.140 0.000 0.970 325 N HN 0.286 nan 8.380 nan 0.000 0.471 326 L N 1.061 122.376 121.223 0.154 0.000 2.397 326 L HA 0.199 4.545 4.340 0.010 0.000 0.271 326 L C 1.032 177.949 176.870 0.078 0.000 1.148 326 L CA -0.448 54.467 54.840 0.124 0.000 0.825 326 L CB 0.210 42.288 42.059 0.031 0.000 1.117 326 L HN 0.169 nan 8.230 nan 0.000 0.456 327 T N -1.152 113.443 114.554 0.068 0.000 2.855 327 T HA -0.031 4.325 4.350 0.010 0.000 0.322 327 T C 1.037 175.748 174.700 0.018 0.000 1.088 327 T CA -0.348 61.776 62.100 0.040 0.000 1.104 327 T CB 1.025 69.914 68.868 0.036 0.000 0.996 327 T HN 0.742 nan 8.240 nan 0.000 0.549 328 K N 0.838 121.245 120.400 0.012 0.000 2.103 328 K HA -0.185 4.141 4.320 0.010 0.000 0.207 328 K C 2.315 178.905 176.600 -0.017 0.000 1.048 328 K CA 1.625 57.912 56.287 -0.001 0.000 0.930 328 K CB -0.173 32.328 32.500 0.000 0.000 0.716 328 K HN 0.734 nan 8.250 nan 0.000 0.444 329 K N 0.604 120.995 120.400 -0.015 0.000 1.985 329 K HA -0.202 4.124 4.320 0.010 0.000 0.210 329 K C 2.150 178.726 176.600 -0.040 0.000 1.047 329 K CA 1.843 58.114 56.287 -0.027 0.000 0.932 329 K CB -0.051 32.438 32.500 -0.018 0.000 0.716 329 K HN 0.218 nan 8.250 nan 0.000 0.439 330 Q N 0.170 119.955 119.800 -0.026 0.000 2.096 330 Q HA -0.240 4.106 4.340 0.010 0.000 0.208 330 Q C 2.249 178.179 176.000 -0.117 0.000 0.993 330 Q CA 2.023 57.798 55.803 -0.047 0.000 0.862 330 Q CB -0.220 28.517 28.738 -0.002 0.000 0.915 330 Q HN 0.311 nan 8.270 nan 0.000 0.416 331 R N 0.195 120.632 120.500 -0.106 0.000 2.070 331 R HA -0.144 4.202 4.340 0.010 0.000 0.233 331 R C 2.358 178.582 176.300 -0.126 0.000 1.137 331 R CA 1.250 57.263 56.100 -0.145 0.000 0.945 331 R CB -0.223 30.039 30.300 -0.063 0.000 0.845 331 R HN 0.312 nan 8.270 nan 0.000 0.430 332 Q N -0.057 119.690 119.800 -0.089 0.000 2.124 332 Q HA -0.096 4.250 4.340 0.010 0.000 0.202 332 Q C 2.079 178.023 176.000 -0.094 0.000 0.977 332 Q CA 1.750 57.500 55.803 -0.089 0.000 0.850 332 Q CB -0.388 28.308 28.738 -0.070 0.000 0.901 332 Q HN 0.374 nan 8.270 nan 0.000 0.429 333 T N 2.109 116.606 114.554 -0.095 0.000 2.737 333 T HA -0.084 4.272 4.350 0.010 0.000 0.265 333 T C 1.960 176.621 174.700 -0.066 0.000 1.038 333 T CA 0.953 62.998 62.100 -0.092 0.000 1.144 333 T CB -0.320 68.497 68.868 -0.086 0.000 0.866 333 T HN 0.270 nan 8.240 nan 0.000 0.434 334 L N 0.717 121.870 121.223 -0.116 0.000 2.046 334 L HA -0.106 4.240 4.340 0.010 0.000 0.208 334 L C 2.709 179.564 176.870 -0.025 0.000 1.077 334 L CA 1.528 56.287 54.840 -0.135 0.000 0.747 334 L CB -0.206 41.621 42.059 -0.387 0.000 0.896 334 L HN 0.101 nan 8.230 nan 0.000 0.432 335 R N 0.050 120.518 120.500 -0.053 0.000 2.080 335 R HA -0.243 4.103 4.340 0.010 0.000 0.236 335 R C 2.458 178.749 176.300 -0.015 0.000 1.137 335 R CA 2.164 58.228 56.100 -0.060 0.000 0.943 335 R CB -0.405 29.757 30.300 -0.229 0.000 0.846 335 R HN 0.397 nan 8.270 nan 0.000 0.431 336 K N 0.642 121.029 120.400 -0.021 0.000 2.063 336 K HA -0.170 4.156 4.320 0.010 0.000 0.208 336 K C 2.081 178.740 176.600 0.100 0.000 1.048 336 K CA 1.643 57.943 56.287 0.021 0.000 0.928 336 K CB -0.008 32.490 32.500 -0.005 0.000 0.713 336 K HN 0.140 nan 8.250 nan 0.000 0.442 337 M N 0.373 120.048 119.600 0.124 0.000 2.099 337 M HA -0.141 4.344 4.480 0.010 0.000 0.262 337 M C 2.232 178.623 176.300 0.152 0.000 1.067 337 M CA 1.208 56.606 55.300 0.164 0.000 1.124 337 M CB -0.169 32.529 32.600 0.165 0.000 1.353 337 M HN -0.028 nan 8.290 nan 0.000 0.410 338 V N 0.916 120.950 119.914 0.201 0.000 2.343 338 V HA -0.251 3.875 4.120 0.010 0.000 0.247 338 V C 2.264 178.506 176.094 0.245 0.000 1.051 338 V CA 1.694 64.165 62.300 0.285 0.000 1.036 338 V CB -0.586 31.553 31.823 0.528 0.000 0.654 338 V HN 0.410 nan 8.190 nan 0.000 0.451 339 I N 0.334 121.027 120.570 0.206 0.000 2.151 339 I HA -0.297 3.879 4.170 0.010 0.000 0.243 339 I C 2.518 178.699 176.117 0.107 0.000 1.080 339 I CA 2.159 63.542 61.300 0.138 0.000 1.339 339 I CB -0.508 37.530 38.000 0.063 0.000 1.039 339 I HN 0.401 nan 8.210 nan 0.000 0.409 340 D N 0.885 121.344 120.400 0.098 0.000 2.097 340 D HA -0.201 4.445 4.640 0.010 0.000 0.195 340 D C 2.309 178.646 176.300 0.063 0.000 0.989 340 D CA 1.681 55.726 54.000 0.074 0.000 0.827 340 D CB -0.044 40.805 40.800 0.081 0.000 0.966 340 D HN 0.255 nan 8.370 nan 0.000 0.456 341 M N -0.258 119.387 119.600 0.075 0.000 2.159 341 M HA -0.136 4.350 4.480 0.010 0.000 0.263 341 M C 2.354 178.698 176.300 0.073 0.000 1.063 341 M CA 0.821 56.155 55.300 0.056 0.000 1.110 341 M CB 0.058 32.688 32.600 0.051 0.000 1.374 341 M HN -0.066 nan 8.290 nan 0.000 0.411 342 V N 0.346 120.330 119.914 0.116 0.000 2.548 342 V HA -0.187 3.938 4.120 0.010 0.000 0.249 342 V C 2.181 178.354 176.094 0.131 0.000 1.055 342 V CA 1.245 63.634 62.300 0.149 0.000 1.065 342 V CB -0.539 31.399 31.823 0.192 0.000 0.681 342 V HN 0.459 nan 8.190 nan 0.000 0.462 343 L N 0.401 121.680 121.223 0.093 0.000 2.141 343 L HA -0.086 4.260 4.340 0.010 0.000 0.209 343 L C 2.543 179.445 176.870 0.053 0.000 1.094 343 L CA 1.330 56.210 54.840 0.066 0.000 0.763 343 L CB -0.642 41.442 42.059 0.042 0.000 0.908 343 L HN 0.364 nan 8.230 nan 0.000 0.437 344 A N -0.301 122.539 122.820 0.034 0.000 2.216 344 A HA -0.117 4.209 4.320 0.010 0.000 0.214 344 A C 2.122 179.699 177.584 -0.012 0.000 1.160 344 A CA 1.505 53.529 52.037 -0.021 0.000 0.725 344 A CB -0.745 18.231 19.000 -0.041 0.000 0.784 344 A HN 0.510 nan 8.150 nan 0.000 0.472 345 T N -2.745 111.864 114.554 0.091 0.000 3.129 345 T HA 0.052 4.408 4.350 0.010 0.000 0.251 345 T C 0.360 175.185 174.700 0.209 0.000 1.117 345 T CA 0.273 62.484 62.100 0.185 0.000 1.034 345 T CB -0.284 68.726 68.868 0.237 0.000 0.968 345 T HN 0.283 nan 8.240 nan 0.000 0.526 346 D N 1.410 121.894 120.400 0.139 0.000 2.339 346 D HA 0.110 4.755 4.640 0.010 0.000 0.256 346 D C 1.186 177.573 176.300 0.145 0.000 1.214 346 D CA -0.462 53.629 54.000 0.151 0.000 0.877 346 D CB 0.790 41.656 40.800 0.109 0.000 1.111 346 D HN -0.035 nan 8.370 nan 0.000 0.478 347 M N 2.528 122.246 119.600 0.197 0.000 2.358 347 M HA -0.152 4.333 4.480 0.010 0.000 0.264 347 M C 1.922 178.408 176.300 0.310 0.000 1.064 347 M CA 0.745 56.162 55.300 0.196 0.000 1.093 347 M CB -0.976 31.653 32.600 0.048 0.000 1.401 347 M HN 0.505 nan 8.290 nan 0.000 0.440 348 S N -0.306 115.555 115.700 0.268 0.000 2.507 348 S HA -0.066 4.410 4.470 0.010 0.000 0.235 348 S C 1.437 176.224 174.600 0.311 0.000 0.988 348 S CA 0.625 59.017 58.200 0.320 0.000 0.944 348 S CB -0.153 63.165 63.200 0.197 0.000 0.762 348 S HN 0.332 nan 8.310 nan 0.000 0.526 349 K N 0.569 121.071 120.400 0.169 0.000 2.374 349 K HA 0.159 4.485 4.320 0.010 0.000 0.196 349 K C 1.360 177.923 176.600 -0.062 0.000 1.023 349 K CA 0.480 56.789 56.287 0.038 0.000 1.103 349 K CB -0.550 31.922 32.500 -0.046 0.000 0.848 349 K HN 0.676 nan 8.250 nan 0.000 0.528 350 H N 1.834 120.853 119.070 -0.084 0.000 2.289 350 H HA -0.061 4.503 4.556 0.012 0.000 0.296 350 H C 1.840 176.998 175.328 -0.284 0.000 1.091 350 H CA 2.090 58.010 56.048 -0.214 0.000 1.274 350 H CB 0.193 29.935 29.762 -0.033 0.000 1.364 350 H HN -0.087 nan 8.280 nan 0.000 0.490 351 M N 0.317 119.637 119.600 -0.467 0.000 2.117 351 M HA -0.135 4.351 4.480 0.010 0.000 0.262 351 M C 2.592 178.707 176.300 -0.308 0.000 1.065 351 M CA 1.662 56.669 55.300 -0.490 0.000 1.114 351 M CB -1.094 31.173 32.600 -0.555 0.000 1.361 351 M HN 0.536 nan 8.290 nan 0.000 0.408 352 S N 0.565 116.142 115.700 -0.206 0.000 2.383 352 S HA -0.103 4.373 4.470 0.010 0.000 0.227 352 S C 1.974 176.471 174.600 -0.172 0.000 1.026 352 S CA 0.759 58.873 58.200 -0.144 0.000 0.981 352 S CB -0.760 62.393 63.200 -0.078 0.000 0.818 352 S HN 0.251 nan 8.310 nan 0.000 0.472 353 L N 1.125 122.211 121.223 -0.227 0.000 2.017 353 L HA 0.103 4.449 4.340 0.010 0.000 0.208 353 L C 2.415 179.145 176.870 -0.233 0.000 1.073 353 L CA 1.423 56.125 54.840 -0.229 0.000 0.745 353 L CB -1.282 40.582 42.059 -0.326 0.000 0.894 353 L HN 0.407 nan 8.230 nan 0.000 0.432 354 L N -0.575 120.439 121.223 -0.348 0.000 2.083 354 L HA -0.086 4.260 4.340 0.010 0.000 0.209 354 L C 2.462 179.214 176.870 -0.196 0.000 1.083 354 L CA 1.994 56.648 54.840 -0.308 0.000 0.752 354 L CB -0.967 40.811 42.059 -0.467 0.000 0.899 354 L HN 0.218 nan 8.230 nan 0.000 0.433 355 A N -0.820 121.891 122.820 -0.182 0.000 1.902 355 A HA -0.214 4.112 4.320 0.010 0.000 0.217 355 A C 2.010 179.537 177.584 -0.094 0.000 1.181 355 A CA 1.885 53.850 52.037 -0.120 0.000 0.623 355 A CB -0.805 18.134 19.000 -0.102 0.000 0.818 355 A HN 0.523 nan 8.150 nan 0.000 0.443 356 D N -0.588 119.755 120.400 -0.096 0.000 2.144 356 D HA -0.101 4.545 4.640 0.010 0.000 0.200 356 D C 1.809 178.066 176.300 -0.071 0.000 0.978 356 D CA 1.019 54.975 54.000 -0.074 0.000 0.833 356 D CB -0.290 40.468 40.800 -0.070 0.000 0.961 356 D HN 0.346 nan 8.370 nan 0.000 0.470 357 L N 1.275 122.450 121.223 -0.081 0.000 2.056 357 L HA -0.115 4.231 4.340 0.010 0.000 0.207 357 L C 1.947 178.775 176.870 -0.070 0.000 1.078 357 L CA 1.670 56.470 54.840 -0.066 0.000 0.749 357 L CB -0.225 41.802 42.059 -0.054 0.000 0.901 357 L HN -0.165 nan 8.230 nan 0.000 0.433 358 K N -1.301 119.054 120.400 -0.074 0.000 2.103 358 K HA -0.164 4.162 4.320 0.010 0.000 0.207 358 K C 1.883 178.448 176.600 -0.058 0.000 1.048 358 K CA 1.934 58.182 56.287 -0.064 0.000 0.930 358 K CB -0.395 32.069 32.500 -0.061 0.000 0.716 358 K HN 0.394 nan 8.250 nan 0.000 0.444 359 T N 1.507 116.028 114.554 -0.056 0.000 2.737 359 T HA -0.175 4.181 4.350 0.010 0.000 0.265 359 T C 1.768 176.436 174.700 -0.053 0.000 1.038 359 T CA 1.490 63.560 62.100 -0.049 0.000 1.144 359 T CB -0.166 68.675 68.868 -0.045 0.000 0.866 359 T HN 0.250 nan 8.240 nan 0.000 0.434 360 M N 1.074 120.639 119.600 -0.059 0.000 2.089 360 M HA -0.161 4.325 4.480 0.010 0.000 0.257 360 M C 2.074 178.327 176.300 -0.077 0.000 1.071 360 M CA 1.675 56.935 55.300 -0.067 0.000 1.096 360 M CB -0.476 32.082 32.600 -0.070 0.000 1.330 360 M HN 0.069 nan 8.290 nan 0.000 0.403 361 V N 0.523 120.388 119.914 -0.081 0.000 2.295 361 V HA -0.237 3.888 4.120 0.010 0.000 0.246 361 V C 2.427 178.479 176.094 -0.070 0.000 1.049 361 V CA 1.938 64.185 62.300 -0.088 0.000 1.024 361 V CB -0.960 30.811 31.823 -0.087 0.000 0.648 361 V HN 0.481 nan 8.190 nan 0.000 0.447 362 E N 0.783 120.949 120.200 -0.057 0.000 2.114 362 E HA -0.224 4.131 4.350 0.010 0.000 0.199 362 E C 2.307 178.879 176.600 -0.046 0.000 1.008 362 E CA 2.195 58.568 56.400 -0.046 0.000 0.810 362 E CB -0.592 29.084 29.700 -0.039 0.000 0.739 362 E HN 0.798 nan 8.360 nan 0.000 0.456 363 T N -1.927 112.597 114.554 -0.049 0.000 3.086 363 T HA 0.120 4.476 4.350 0.010 0.000 0.250 363 T C 0.789 175.456 174.700 -0.055 0.000 1.074 363 T CA -0.344 61.728 62.100 -0.046 0.000 0.988 363 T CB 0.171 69.014 68.868 -0.042 0.000 0.988 363 T HN -0.102 nan 8.240 nan 0.000 0.530 364 K N 1.901 122.262 120.400 -0.066 0.000 2.548 364 K HA -0.033 4.293 4.320 0.010 0.000 0.277 364 K C -0.595 175.963 176.600 -0.069 0.000 1.001 364 K CA 0.733 56.974 56.287 -0.078 0.000 1.102 364 K CB 0.248 32.694 32.500 -0.091 0.000 0.848 364 K HN 0.322 nan 8.250 nan 0.000 0.487 365 K N 3.338 123.694 120.400 -0.074 0.000 2.376 365 K HA 0.302 4.628 4.320 0.010 0.000 0.257 365 K C -0.791 175.764 176.600 -0.076 0.000 0.939 365 K CA -0.892 55.355 56.287 -0.067 0.000 0.809 365 K CB 1.850 34.315 32.500 -0.059 0.000 1.121 365 K HN 0.444 nan 8.250 nan 0.000 0.425 366 V N -1.191 118.682 119.914 -0.069 0.000 3.181 366 V HA 0.619 4.745 4.120 0.010 0.000 0.314 366 V C 0.270 176.328 176.094 -0.060 0.000 1.173 366 V CA -0.771 61.486 62.300 -0.072 0.000 1.052 366 V CB 1.415 33.195 31.823 -0.072 0.000 1.123 366 V HN 0.880 nan 8.190 nan 0.000 0.454 367 T N -1.306 113.212 114.554 -0.059 0.000 2.867 367 T HA 0.336 4.692 4.350 0.010 0.000 0.286 367 T C 1.177 175.851 174.700 -0.043 0.000 1.022 367 T CA 0.278 62.348 62.100 -0.049 0.000 0.933 367 T CB 0.785 69.624 68.868 -0.048 0.000 1.280 367 T HN 1.381 nan 8.240 nan 0.000 0.566 368 S N -0.229 115.449 115.700 -0.036 0.000 2.522 368 S HA -0.019 4.457 4.470 0.010 0.000 0.227 368 S C 1.973 176.555 174.600 -0.031 0.000 0.986 368 S CA 0.562 58.743 58.200 -0.032 0.000 0.929 368 S CB -0.757 62.427 63.200 -0.027 0.000 0.769 368 S HN 0.865 nan 8.310 nan 0.000 0.529 369 S N 0.482 116.162 115.700 -0.034 0.000 2.483 369 S HA 0.524 5.000 4.470 0.010 0.000 0.221 369 S C 1.423 176.000 174.600 -0.038 0.000 1.030 369 S CA 0.359 58.540 58.200 -0.032 0.000 0.925 369 S CB -0.017 63.165 63.200 -0.030 0.000 0.795 369 S HN 1.250 nan 8.310 nan 0.000 0.511 370 G N 0.455 109.227 108.800 -0.047 0.000 2.157 370 G HA2 -0.048 3.917 3.960 0.010 0.000 0.114 370 G HA3 -0.048 3.917 3.960 0.010 0.000 0.114 370 G C -0.382 174.477 174.900 -0.068 0.000 1.041 370 G CA -0.287 44.779 45.100 -0.056 0.000 0.714 370 G HN 0.512 nan 8.290 nan 0.000 0.492 371 V N 2.121 121.994 119.914 -0.068 0.000 2.383 371 V HA 0.438 4.564 4.120 0.010 0.000 0.275 371 V C 1.375 177.410 176.094 -0.098 0.000 1.036 371 V CA -0.731 61.520 62.300 -0.082 0.000 0.889 371 V CB 1.537 33.316 31.823 -0.074 0.000 0.985 371 V HN 0.405 nan 8.190 nan 0.000 0.459 372 L N 5.427 126.577 121.223 -0.121 0.000 2.593 372 L HA 0.055 4.401 4.340 0.010 0.000 0.287 372 L C -0.184 176.605 176.870 -0.134 0.000 1.243 372 L CA 0.411 55.170 54.840 -0.134 0.000 0.890 372 L CB 0.316 42.277 42.059 -0.165 0.000 1.134 372 L HN 0.491 nan 8.230 nan 0.000 0.502 373 L N 5.905 127.059 121.223 -0.115 0.000 2.272 373 L HA 0.412 4.757 4.340 0.010 0.000 0.289 373 L C -0.513 176.291 176.870 -0.110 0.000 1.032 373 L CA -0.364 54.412 54.840 -0.107 0.000 0.810 373 L CB 1.189 43.200 42.059 -0.080 0.000 1.205 373 L HN 0.471 nan 8.230 nan 0.000 0.422 374 L N 3.758 124.906 121.223 -0.125 0.000 2.324 374 L HA 0.280 4.626 4.340 0.010 0.000 0.274 374 L C 0.501 177.325 176.870 -0.076 0.000 1.012 374 L CA -0.627 54.147 54.840 -0.110 0.000 0.859 374 L CB 1.612 43.579 42.059 -0.152 0.000 1.224 374 L HN 0.585 nan 8.230 nan 0.000 0.429 375 D N 1.968 122.336 120.400 -0.053 0.000 2.123 375 D HA -0.119 4.527 4.640 0.010 0.000 0.196 375 D C 0.425 176.718 176.300 -0.011 0.000 0.992 375 D CA 1.692 55.673 54.000 -0.031 0.000 0.833 375 D CB 0.142 40.927 40.800 -0.024 0.000 0.954 375 D HN 0.668 nan 8.370 nan 0.000 0.455 376 N N -2.261 116.439 118.700 0.000 0.000 2.972 376 N HA 0.004 4.750 4.740 0.010 0.000 0.262 376 N C 0.319 175.872 175.510 0.072 0.000 1.478 376 N CA -0.807 52.270 53.050 0.045 0.000 0.841 376 N CB 0.506 39.023 38.487 0.050 0.000 1.512 376 N HN -0.181 nan 8.380 nan 0.000 0.548 377 Y N 0.468 120.778 120.300 0.017 0.000 2.081 377 Y HA -0.231 4.320 4.550 0.002 0.000 0.280 377 Y C 1.912 177.835 175.900 0.038 0.000 1.163 377 Y CA 2.894 61.014 58.100 0.034 0.000 1.135 377 Y CB -0.878 37.599 38.460 0.028 0.000 0.970 377 Y HN 0.625 nan 8.280 nan 0.000 0.498 378 T N 0.701 115.232 114.554 -0.038 0.000 2.665 378 T HA -0.235 4.121 4.350 0.010 0.000 0.268 378 T C 1.431 176.041 174.700 -0.150 0.000 1.035 378 T CA 1.779 63.810 62.100 -0.115 0.000 1.151 378 T CB -0.461 68.413 68.868 0.009 0.000 0.862 378 T HN 0.489 nan 8.240 nan 0.000 0.438 379 D N 0.819 121.167 120.400 -0.088 0.000 2.097 379 D HA -0.052 4.594 4.640 0.010 0.000 0.195 379 D C 2.424 178.687 176.300 -0.062 0.000 0.989 379 D CA 0.913 54.872 54.000 -0.069 0.000 0.827 379 D CB -0.262 40.505 40.800 -0.054 0.000 0.966 379 D HN 0.371 nan 8.370 nan 0.000 0.456 380 R N 0.128 120.587 120.500 -0.068 0.000 2.083 380 R HA -0.124 4.222 4.340 0.010 0.000 0.237 380 R C 2.362 178.683 176.300 0.034 0.000 1.137 380 R CA 0.758 56.893 56.100 0.057 0.000 0.951 380 R CB -0.402 29.956 30.300 0.097 0.000 0.851 380 R HN 0.151 nan 8.270 nan 0.000 0.434 381 I N 1.277 121.689 120.570 -0.263 0.000 2.546 381 I HA -0.211 3.965 4.170 0.010 0.000 0.255 381 I C 2.437 178.484 176.117 -0.117 0.000 1.163 381 I CA 1.287 62.436 61.300 -0.251 0.000 1.457 381 I CB -0.274 37.412 38.000 -0.522 0.000 1.092 381 I HN 0.160 nan 8.210 nan 0.000 0.434 382 Q N -0.158 119.580 119.800 -0.103 0.000 2.046 382 Q HA -0.162 4.184 4.340 0.010 0.000 0.200 382 Q C 2.134 178.145 176.000 0.018 0.000 0.975 382 Q CA 2.409 58.184 55.803 -0.045 0.000 0.836 382 Q CB -0.230 28.479 28.738 -0.049 0.000 0.896 382 Q HN 0.355 nan 8.270 nan 0.000 0.428 383 V N 1.283 121.239 119.914 0.070 0.000 2.332 383 V HA -0.295 3.831 4.120 0.010 0.000 0.248 383 V C 2.407 178.610 176.094 0.181 0.000 1.055 383 V CA 1.788 64.192 62.300 0.175 0.000 1.038 383 V CB -0.545 31.425 31.823 0.245 0.000 0.651 383 V HN 0.419 nan 8.190 nan 0.000 0.450 384 L N 0.184 121.449 121.223 0.071 0.000 2.083 384 L HA -0.202 4.143 4.340 0.010 0.000 0.209 384 L C 2.786 179.631 176.870 -0.041 0.000 1.083 384 L CA 2.172 56.973 54.840 -0.065 0.000 0.752 384 L CB -0.731 41.230 42.059 -0.163 0.000 0.899 384 L HN 0.447 nan 8.230 nan 0.000 0.433 385 R N -0.170 120.318 120.500 -0.021 0.000 2.115 385 R HA -0.113 4.233 4.340 0.010 0.000 0.230 385 R C 1.839 178.128 176.300 -0.020 0.000 1.111 385 R CA 1.442 57.528 56.100 -0.023 0.000 0.976 385 R CB -0.539 29.745 30.300 -0.026 0.000 0.870 385 R HN 0.366 nan 8.270 nan 0.000 0.445 386 N N 0.883 119.587 118.700 0.008 0.000 2.188 386 N HA -0.159 4.587 4.740 0.010 0.000 0.184 386 N C 1.827 177.240 175.510 -0.162 0.000 1.018 386 N CA 1.582 54.636 53.050 0.007 0.000 0.858 386 N CB -0.140 38.414 38.487 0.111 0.000 0.989 386 N HN 0.335 nan 8.380 nan 0.000 0.426 387 M N 0.954 120.453 119.600 -0.169 0.000 2.080 387 M HA -0.147 4.339 4.480 0.010 0.000 0.260 387 M C 1.816 177.909 176.300 -0.345 0.000 1.068 387 M CA 1.433 56.451 55.300 -0.470 0.000 1.109 387 M CB 0.026 32.514 32.600 -0.187 0.000 1.342 387 M HN -0.132 nan 8.290 nan 0.000 0.405 388 V N -0.198 119.604 119.914 -0.188 0.000 2.427 388 V HA -0.281 3.845 4.120 0.010 0.000 0.248 388 V C 2.336 178.337 176.094 -0.154 0.000 1.051 388 V CA 2.315 64.516 62.300 -0.164 0.000 1.048 388 V CB -1.263 30.492 31.823 -0.114 0.000 0.666 388 V HN 0.617 nan 8.190 nan 0.000 0.456 389 H N -0.398 118.546 119.070 -0.210 0.000 2.326 389 H HA -0.172 4.393 4.556 0.015 0.000 0.301 389 H C 2.283 177.476 175.328 -0.224 0.000 1.081 389 H CA 2.232 58.180 56.048 -0.168 0.000 1.334 389 H CB -0.656 29.030 29.762 -0.126 0.000 1.385 389 H HN 0.386 nan 8.280 nan 0.000 0.504 390 C N 0.642 119.635 119.300 -0.512 0.000 2.398 390 C HA -0.151 4.315 4.460 0.010 0.000 0.276 390 C C 3.138 177.985 174.990 -0.239 0.000 1.222 390 C CA 1.293 59.859 59.018 -0.753 0.000 1.746 390 C CB -1.473 25.441 27.740 -1.377 0.000 2.039 390 C HN 0.799 nan 8.230 nan 0.000 0.470 391 A N 0.090 122.799 122.820 -0.184 0.000 1.902 391 A HA -0.245 4.081 4.320 0.010 0.000 0.217 391 A C 1.881 179.428 177.584 -0.061 0.000 1.181 391 A CA 2.311 54.336 52.037 -0.020 0.000 0.623 391 A CB -0.738 18.208 19.000 -0.089 0.000 0.818 391 A HN 0.566 nan 8.150 nan 0.000 0.443 392 D N -0.500 119.822 120.400 -0.129 0.000 2.218 392 D HA -0.063 4.582 4.640 0.010 0.000 0.204 392 D C 1.120 177.457 176.300 0.061 0.000 0.976 392 D CA 0.851 54.836 54.000 -0.025 0.000 0.853 392 D CB -0.111 40.682 40.800 -0.013 0.000 0.939 392 D HN 0.402 nan 8.370 nan 0.000 0.481 393 L N 0.142 121.357 121.223 -0.013 0.000 2.984 393 L HA 0.171 4.517 4.340 0.010 0.000 0.246 393 L C 1.359 178.399 176.870 0.284 0.000 1.268 393 L CA -0.047 54.836 54.840 0.071 0.000 1.054 393 L CB 0.287 42.265 42.059 -0.135 0.000 1.393 393 L HN -0.009 nan 8.230 nan 0.000 0.532 394 S N -3.286 112.548 115.700 0.223 0.000 2.535 394 S HA 0.004 4.480 4.470 0.010 0.000 0.214 394 S C 1.235 175.820 174.600 -0.024 0.000 0.980 394 S CA -0.142 58.203 58.200 0.242 0.000 0.907 394 S CB -0.220 63.175 63.200 0.325 0.000 0.790 394 S HN 0.480 nan 8.310 nan 0.000 0.510 395 N N 3.048 121.709 118.700 -0.065 0.000 2.037 395 N HA -0.090 4.656 4.740 0.010 0.000 0.196 395 N C -1.324 174.071 175.510 -0.192 0.000 1.034 395 N CA 1.717 54.745 53.050 -0.037 0.000 0.861 395 N CB -0.935 37.641 38.487 0.149 0.000 1.039 395 N HN 0.426 nan 8.380 nan 0.000 0.427 396 P HA -0.062 nan 4.420 nan 0.000 0.230 396 P C 0.905 177.853 177.300 -0.585 0.000 1.158 396 P CA 1.197 63.526 63.100 -1.285 0.000 0.769 396 P CB -0.054 31.243 31.700 -0.671 0.000 0.807 397 T N -5.327 109.020 114.554 -0.344 0.000 3.086 397 T HA 0.161 4.517 4.350 0.010 0.000 0.250 397 T C 0.814 175.530 174.700 0.026 0.000 1.074 397 T CA -0.138 61.817 62.100 -0.242 0.000 0.988 397 T CB -0.188 68.374 68.868 -0.509 0.000 0.988 397 T HN -0.139 nan 8.240 nan 0.000 0.530 398 K N 1.896 122.299 120.400 0.005 0.000 2.090 398 K HA 0.448 4.774 4.320 0.010 0.000 0.250 398 K C 0.477 177.127 176.600 0.083 0.000 1.004 398 K CA -0.441 55.877 56.287 0.052 0.000 0.919 398 K CB 1.271 33.801 32.500 0.051 0.000 1.045 398 K HN 0.204 nan 8.250 nan 0.000 0.471 399 S N 0.598 116.341 115.700 0.071 0.000 2.553 399 S HA -0.111 4.365 4.470 0.010 0.000 0.293 399 S C 1.482 176.099 174.600 0.029 0.000 1.296 399 S CA -0.328 57.894 58.200 0.036 0.000 1.046 399 S CB 0.147 63.354 63.200 0.012 0.000 0.810 399 S HN 0.508 nan 8.310 nan 0.000 0.505 400 L N 4.420 125.613 121.223 -0.050 0.000 2.079 400 L HA -0.086 4.260 4.340 0.010 0.000 0.210 400 L C 2.317 179.081 176.870 -0.176 0.000 1.081 400 L CA 2.487 57.244 54.840 -0.138 0.000 0.752 400 L CB -0.906 40.899 42.059 -0.424 0.000 0.896 400 L HN 0.959 nan 8.230 nan 0.000 0.433 401 E N -0.576 119.520 120.200 -0.173 0.000 2.058 401 E HA -0.257 4.099 4.350 0.010 0.000 0.194 401 E C 2.199 178.669 176.600 -0.216 0.000 0.997 401 E CA 1.906 58.185 56.400 -0.202 0.000 0.801 401 E CB -0.226 29.376 29.700 -0.164 0.000 0.746 401 E HN 0.610 nan 8.360 nan 0.000 0.450 402 L N -0.226 120.935 121.223 -0.103 0.000 2.027 402 L HA -0.183 4.162 4.340 0.010 0.000 0.206 402 L C 2.655 179.544 176.870 0.032 0.000 1.074 402 L CA 1.243 56.044 54.840 -0.065 0.000 0.745 402 L CB -0.650 41.508 42.059 0.164 0.000 0.898 402 L HN 0.269 nan 8.230 nan 0.000 0.433 403 Y N 1.294 121.647 120.300 0.088 0.000 2.165 403 Y HA -0.235 4.321 4.550 0.010 0.000 0.286 403 Y C 2.718 178.708 175.900 0.150 0.000 1.155 403 Y CA 1.359 59.605 58.100 0.244 0.000 1.164 403 Y CB -0.359 38.239 38.460 0.230 0.000 0.978 403 Y HN 0.015 nan 8.280 nan 0.000 0.513 404 R N -0.242 120.210 120.500 -0.081 0.000 2.127 404 R HA -0.219 4.127 4.340 0.010 0.000 0.238 404 R C 2.239 178.414 176.300 -0.208 0.000 1.134 404 R CA 1.904 57.909 56.100 -0.158 0.000 0.975 404 R CB -0.296 29.886 30.300 -0.197 0.000 0.865 404 R HN 0.543 nan 8.270 nan 0.000 0.447 405 Q N -0.934 118.669 119.800 -0.329 0.000 2.083 405 Q HA -0.153 4.193 4.340 0.010 0.000 0.198 405 Q C 1.833 177.706 176.000 -0.212 0.000 0.969 405 Q CA 1.356 56.876 55.803 -0.471 0.000 0.838 405 Q CB -0.093 27.974 28.738 -1.119 0.000 0.900 405 Q HN 0.481 nan 8.270 nan 0.000 0.436 406 W N 0.676 122.025 121.300 0.082 0.000 2.363 406 W HA -0.143 4.525 4.660 0.012 0.000 0.296 406 W C 2.400 178.903 176.519 -0.026 0.000 1.212 406 W CA 0.958 58.418 57.345 0.193 0.000 1.260 406 W CB -0.202 29.465 29.460 0.345 0.000 1.131 406 W HN 0.084 nan 8.180 nan 0.000 0.530 407 T N 0.194 114.739 114.554 -0.015 0.000 2.708 407 T HA -0.209 4.147 4.350 0.010 0.000 0.266 407 T C 1.014 175.596 174.700 -0.197 0.000 1.037 407 T CA 1.851 63.812 62.100 -0.231 0.000 1.146 407 T CB -0.560 68.062 68.868 -0.409 0.000 0.865 407 T HN 0.003 nan 8.240 nan 0.000 0.435 408 D N 0.816 121.130 120.400 -0.143 0.000 2.123 408 D HA -0.063 4.583 4.640 0.010 0.000 0.196 408 D C 2.405 178.609 176.300 -0.160 0.000 0.992 408 D CA 1.066 54.978 54.000 -0.146 0.000 0.833 408 D CB -0.213 40.513 40.800 -0.123 0.000 0.954 408 D HN 0.321 nan 8.370 nan 0.000 0.455 409 R N -0.288 120.169 120.500 -0.072 0.000 2.066 409 R HA -0.058 4.288 4.340 0.010 0.000 0.232 409 R C 2.249 178.453 176.300 -0.161 0.000 1.131 409 R CA 0.594 56.683 56.100 -0.018 0.000 0.955 409 R CB -0.362 30.049 30.300 0.186 0.000 0.851 409 R HN 0.137 nan 8.270 nan 0.000 0.432 410 I N 0.720 121.097 120.570 -0.322 0.000 2.315 410 I HA -0.219 3.957 4.170 0.010 0.000 0.248 410 I C 1.837 177.351 176.117 -1.006 0.000 1.117 410 I CA 1.509 62.279 61.300 -0.882 0.000 1.404 410 I CB -0.083 37.149 38.000 -1.280 0.000 1.071 410 I HN 0.131 nan 8.210 nan 0.000 0.419 411 M N -0.372 118.799 119.600 -0.715 0.000 2.159 411 M HA -0.213 4.273 4.480 0.010 0.000 0.263 411 M C 2.221 178.009 176.300 -0.853 0.000 1.063 411 M CA 1.575 56.397 55.300 -0.797 0.000 1.110 411 M CB -1.510 30.659 32.600 -0.718 0.000 1.374 411 M HN 0.390 nan 8.290 nan 0.000 0.411 412 E N 0.507 120.406 120.200 -0.502 0.000 2.077 412 E HA -0.235 4.121 4.350 0.010 0.000 0.193 412 E C 1.972 178.491 176.600 -0.135 0.000 0.989 412 E CA 1.444 57.697 56.400 -0.246 0.000 0.800 412 E CB 0.011 29.637 29.700 -0.124 0.000 0.746 412 E HN 0.591 nan 8.360 nan 0.000 0.452 413 E N -0.719 119.364 120.200 -0.195 0.000 2.072 413 E HA -0.181 4.175 4.350 0.010 0.000 0.191 413 E C 1.758 178.389 176.600 0.051 0.000 0.985 413 E CA 0.990 57.342 56.400 -0.081 0.000 0.801 413 E CB -0.097 29.537 29.700 -0.110 0.000 0.750 413 E HN 0.246 nan 8.360 nan 0.000 0.452 414 F N 0.284 120.161 119.950 -0.121 0.000 2.069 414 F HA -0.182 4.350 4.527 0.009 0.000 0.298 414 F C 2.171 178.038 175.800 0.111 0.000 1.113 414 F CA 0.869 58.835 58.000 -0.056 0.000 1.214 414 F CB -1.085 37.834 39.000 -0.135 0.000 0.978 414 F HN 0.121 nan 8.300 nan 0.000 0.474 415 F N 0.274 120.306 119.950 0.136 0.000 2.171 415 F HA -0.206 4.326 4.527 0.010 0.000 0.300 415 F C 2.543 178.355 175.800 0.020 0.000 1.090 415 F CA 1.081 59.106 58.000 0.042 0.000 1.293 415 F CB -1.557 37.439 39.000 -0.006 0.000 1.013 415 F HN 0.058 nan 8.300 nan 0.000 0.486 416 Q N 0.266 120.193 119.800 0.212 0.000 2.084 416 Q HA -0.221 4.125 4.340 0.010 0.000 0.202 416 Q C 2.363 178.401 176.000 0.064 0.000 0.978 416 Q CA 1.901 57.769 55.803 0.108 0.000 0.844 416 Q CB -0.396 28.386 28.738 0.072 0.000 0.898 416 Q HN 0.550 nan 8.270 nan 0.000 0.426 417 Q N -1.158 118.680 119.800 0.064 0.000 2.050 417 Q HA -0.139 4.206 4.340 0.010 0.000 0.202 417 Q C 1.916 177.939 176.000 0.039 0.000 0.980 417 Q CA 1.613 57.395 55.803 -0.036 0.000 0.840 417 Q CB -0.582 28.137 28.738 -0.032 0.000 0.898 417 Q HN 0.488 nan 8.270 nan 0.000 0.424 418 G N 0.858 109.718 108.800 0.100 0.000 2.505 418 G HA2 -0.305 3.661 3.960 0.010 0.000 0.220 418 G HA3 -0.305 3.661 3.960 0.010 0.000 0.220 418 G C 0.963 175.908 174.900 0.076 0.000 1.145 418 G CA 1.234 46.388 45.100 0.090 0.000 0.761 418 G HN 0.439 nan 8.290 nan 0.000 0.571 419 D N 0.278 120.718 120.400 0.067 0.000 2.224 419 D HA -0.004 4.642 4.640 0.010 0.000 0.205 419 D C 2.440 178.789 176.300 0.081 0.000 0.965 419 D CA 0.726 54.761 54.000 0.059 0.000 0.852 419 D CB -0.095 40.734 40.800 0.048 0.000 0.947 419 D HN 0.318 nan 8.370 nan 0.000 0.494 420 K N 0.556 121.011 120.400 0.090 0.000 2.103 420 K HA -0.055 4.271 4.320 0.010 0.000 0.204 420 K C 2.024 178.765 176.600 0.235 0.000 1.052 420 K CA 0.730 57.104 56.287 0.144 0.000 0.945 420 K CB 0.142 32.698 32.500 0.094 0.000 0.722 420 K HN 0.159 nan 8.250 nan 0.000 0.443 421 E N 0.419 120.768 120.200 0.249 0.000 2.028 421 E HA -0.185 4.170 4.350 0.010 0.000 0.191 421 E C 2.121 178.789 176.600 0.113 0.000 0.988 421 E CA 0.889 57.419 56.400 0.216 0.000 0.799 421 E CB -0.024 29.792 29.700 0.194 0.000 0.755 421 E HN 0.169 nan 8.360 nan 0.000 0.447 422 R N 1.240 121.795 120.500 0.091 0.000 2.091 422 R HA -0.216 4.130 4.340 0.010 0.000 0.238 422 R C 2.145 178.480 176.300 0.058 0.000 1.136 422 R CA 1.703 57.841 56.100 0.064 0.000 0.959 422 R CB -0.070 30.269 30.300 0.066 0.000 0.856 422 R HN 0.152 nan 8.270 nan 0.000 0.437 423 E N -0.076 120.166 120.200 0.070 0.000 2.204 423 E HA -0.165 4.191 4.350 0.010 0.000 0.195 423 E C 1.435 178.066 176.600 0.052 0.000 0.990 423 E CA 0.938 57.374 56.400 0.060 0.000 0.821 423 E CB 0.212 29.954 29.700 0.071 0.000 0.750 423 E HN 0.292 nan 8.360 nan 0.000 0.477 424 R N -1.485 119.050 120.500 0.059 0.000 2.334 424 R HA 0.146 4.491 4.340 0.010 0.000 0.216 424 R C 0.982 177.291 176.300 0.015 0.000 0.905 424 R CA 0.501 56.622 56.100 0.035 0.000 1.064 424 R CB 0.896 31.216 30.300 0.033 0.000 1.046 424 R HN 0.237 nan 8.270 nan 0.000 0.508 425 G N 1.210 110.021 108.800 0.020 0.000 2.143 425 G HA2 -0.301 3.665 3.960 0.010 0.000 0.249 425 G HA3 -0.301 3.665 3.960 0.010 0.000 0.249 425 G C 0.197 175.099 174.900 0.003 0.000 0.981 425 G CA 0.108 45.213 45.100 0.008 0.000 0.665 425 G HN 0.156 nan 8.290 nan 0.000 0.528 426 M N 0.400 120.006 119.600 0.009 0.000 2.255 426 M HA 0.408 4.894 4.480 0.010 0.000 0.336 426 M C 0.684 176.991 176.300 0.010 0.000 1.135 426 M CA -0.363 54.937 55.300 0.000 0.000 1.145 426 M CB 0.694 33.292 32.600 -0.004 0.000 1.473 426 M HN 0.343 nan 8.290 nan 0.000 0.462 427 E N 1.765 121.964 120.200 -0.001 0.000 2.392 427 E HA 0.197 4.553 4.350 0.010 0.000 0.264 427 E C -1.254 175.353 176.600 0.011 0.000 1.024 427 E CA -0.227 56.173 56.400 0.001 0.000 0.903 427 E CB 0.613 30.307 29.700 -0.011 0.000 0.963 427 E HN 0.494 nan 8.360 nan 0.000 0.432 428 I N 3.614 124.190 120.570 0.010 0.000 2.395 428 I HA 0.070 4.246 4.170 0.010 0.000 0.289 428 I C 0.363 176.472 176.117 -0.014 0.000 1.023 428 I CA -0.504 60.806 61.300 0.016 0.000 1.350 428 I CB 1.445 39.456 38.000 0.018 0.000 1.409 428 I HN 0.499 nan 8.210 nan 0.000 0.507 429 S N 7.138 122.825 115.700 -0.021 0.000 2.573 429 S HA 0.105 4.581 4.470 0.010 0.000 0.277 429 S C -2.178 172.341 174.600 -0.135 0.000 1.346 429 S CA -0.716 57.433 58.200 -0.086 0.000 1.034 429 S CB 0.102 63.236 63.200 -0.109 0.000 0.879 429 S HN 0.398 nan 8.310 nan 0.000 0.528 430 P HA 0.124 nan 4.420 nan 0.000 0.266 430 P C 0.472 177.614 177.300 -0.264 0.000 1.195 430 P CA 0.375 63.359 63.100 -0.192 0.000 0.768 430 P CB 0.181 31.746 31.700 -0.225 0.000 0.838 431 M N -0.637 118.876 119.600 -0.145 0.000 2.931 431 M HA -0.260 4.226 4.480 0.010 0.000 0.190 431 M C 0.181 176.522 176.300 0.068 0.000 0.626 431 M CA 0.760 56.018 55.300 -0.069 0.000 0.722 431 M CB -2.455 30.018 32.600 -0.211 0.000 2.597 431 M HN 0.350 nan 8.290 nan 0.000 0.299 432 C N 0.475 119.782 119.300 0.012 0.000 2.906 432 C HA 0.192 4.658 4.460 0.010 0.000 0.274 432 C C 0.841 175.928 174.990 0.162 0.000 1.257 432 C CA -0.126 58.992 59.018 0.167 0.000 1.695 432 C CB -0.623 27.132 27.740 0.025 0.000 1.958 432 C HN 0.401 nan 8.230 nan 0.000 0.619 433 D N 1.345 121.768 120.400 0.039 0.000 2.443 433 D HA 0.100 4.746 4.640 0.010 0.000 0.221 433 D C 1.373 177.407 176.300 -0.444 0.000 1.097 433 D CA -0.101 53.821 54.000 -0.131 0.000 0.865 433 D CB 0.670 41.440 40.800 -0.049 0.000 1.034 433 D HN 0.426 nan 8.370 nan 0.000 0.511 434 K N 2.946 122.785 120.400 -0.935 0.000 2.209 434 K HA -0.188 4.138 4.320 0.010 0.000 0.204 434 K C 0.550 176.676 176.600 -0.790 0.000 1.048 434 K CA 1.144 56.487 56.287 -1.573 0.000 0.940 434 K CB -0.272 31.302 32.500 -1.543 0.000 0.729 434 K HN 0.476 nan 8.250 nan 0.000 0.451 435 H N 0.726 119.605 119.070 -0.319 0.000 2.529 435 H HA -0.004 4.558 4.556 0.010 0.000 0.277 435 H C 1.516 176.772 175.328 -0.119 0.000 0.999 435 H CA 1.603 57.547 56.048 -0.174 0.000 1.256 435 H CB 0.456 30.147 29.762 -0.119 0.000 1.402 435 H HN 0.605 nan 8.280 nan 0.000 0.566 436 T N -3.323 111.208 114.554 -0.038 0.000 2.986 436 T HA 0.446 4.802 4.350 0.010 0.000 0.264 436 T C 0.998 175.699 174.700 0.003 0.000 0.964 436 T CA 0.014 62.112 62.100 -0.004 0.000 0.895 436 T CB 0.026 68.897 68.868 0.005 0.000 1.163 436 T HN 0.273 nan 8.240 nan 0.000 0.517 437 A N 1.369 124.188 122.820 -0.003 0.000 2.425 437 A HA 0.640 4.966 4.320 0.010 0.000 0.242 437 A C 0.353 178.001 177.584 0.107 0.000 1.077 437 A CA -0.223 51.871 52.037 0.096 0.000 0.781 437 A CB 0.276 19.441 19.000 0.275 0.000 1.020 437 A HN 0.465 nan 8.150 nan 0.000 0.494 438 S N 1.523 117.284 115.700 0.102 0.000 2.664 438 S HA 0.355 4.831 4.470 0.010 0.000 0.262 438 S C 0.753 175.407 174.600 0.089 0.000 1.229 438 S CA -0.524 57.728 58.200 0.088 0.000 1.151 438 S CB 0.448 63.686 63.200 0.063 0.000 1.054 438 S HN 0.628 nan 8.310 nan 0.000 0.483 439 V N 4.900 124.873 119.914 0.099 0.000 2.287 439 V HA -0.156 3.970 4.120 0.010 0.000 0.248 439 V C 2.281 178.406 176.094 0.052 0.000 1.053 439 V CA 2.177 64.512 62.300 0.058 0.000 1.027 439 V CB -0.773 31.090 31.823 0.067 0.000 0.646 439 V HN 0.717 nan 8.190 nan 0.000 0.447 440 E N 0.308 120.582 120.200 0.123 0.000 2.031 440 E HA -0.186 4.170 4.350 0.010 0.000 0.193 440 E C 2.260 178.934 176.600 0.122 0.000 0.994 440 E CA 1.276 57.785 56.400 0.181 0.000 0.800 440 E CB -0.348 29.448 29.700 0.160 0.000 0.752 440 E HN 0.504 nan 8.360 nan 0.000 0.447 441 K N 0.314 120.769 120.400 0.093 0.000 2.032 441 K HA -0.085 4.241 4.320 0.010 0.000 0.209 441 K C 2.358 179.011 176.600 0.089 0.000 1.048 441 K CA 1.489 57.826 56.287 0.083 0.000 0.927 441 K CB -0.245 32.293 32.500 0.062 0.000 0.712 441 K HN 0.004 nan 8.250 nan 0.000 0.441 442 S N 1.143 116.887 115.700 0.073 0.000 2.399 442 S HA -0.123 4.353 4.470 0.010 0.000 0.231 442 S C 1.881 176.558 174.600 0.128 0.000 1.022 442 S CA 0.942 59.191 58.200 0.082 0.000 0.983 442 S CB -0.071 63.153 63.200 0.040 0.000 0.803 442 S HN 0.271 nan 8.310 nan 0.000 0.480 443 Q N 0.715 120.552 119.800 0.061 0.000 2.020 443 Q HA -0.070 4.276 4.340 0.010 0.000 0.202 443 Q C 2.469 178.596 176.000 0.212 0.000 0.982 443 Q CA 1.228 57.071 55.803 0.065 0.000 0.838 443 Q CB -0.731 27.826 28.738 -0.300 0.000 0.899 443 Q HN 0.432 nan 8.270 nan 0.000 0.423 444 V N 0.397 120.420 119.914 0.182 0.000 2.295 444 V HA -0.217 3.909 4.120 0.010 0.000 0.246 444 V C 2.368 178.581 176.094 0.198 0.000 1.049 444 V CA 2.051 64.463 62.300 0.187 0.000 1.024 444 V CB -1.264 30.651 31.823 0.153 0.000 0.648 444 V HN 0.479 nan 8.190 nan 0.000 0.447 445 G N -1.030 107.889 108.800 0.199 0.000 2.422 445 G HA2 -0.308 3.658 3.960 0.010 0.000 0.218 445 G HA3 -0.308 3.658 3.960 0.010 0.000 0.218 445 G C 1.547 176.649 174.900 0.337 0.000 1.146 445 G CA 0.996 46.225 45.100 0.215 0.000 0.769 445 G HN 0.494 nan 8.290 nan 0.000 0.547 446 F N 1.315 121.387 119.950 0.203 0.000 2.146 446 F HA 0.100 4.632 4.527 0.009 0.000 0.298 446 F C 2.400 178.345 175.800 0.242 0.000 1.096 446 F CA 0.907 59.063 58.000 0.261 0.000 1.275 446 F CB -0.181 38.958 39.000 0.232 0.000 1.008 446 F HN 0.097 nan 8.300 nan 0.000 0.480 447 I N 0.288 120.936 120.570 0.129 0.000 2.202 447 I HA -0.273 3.903 4.170 0.010 0.000 0.242 447 I C 1.913 178.079 176.117 0.081 0.000 1.091 447 I CA 1.519 62.822 61.300 0.005 0.000 1.368 447 I CB -0.592 37.486 38.000 0.130 0.000 1.058 447 I HN 0.061 nan 8.210 nan 0.000 0.410 448 D N -0.147 120.336 120.400 0.139 0.000 2.144 448 D HA -0.225 4.420 4.640 0.010 0.000 0.199 448 D C 1.813 178.240 176.300 0.211 0.000 0.984 448 D CA 1.426 55.510 54.000 0.140 0.000 0.834 448 D CB -0.174 40.704 40.800 0.130 0.000 0.955 448 D HN 0.400 nan 8.370 nan 0.000 0.465 449 Y N -0.148 120.211 120.300 0.097 0.000 2.479 449 Y HA 0.113 4.670 4.550 0.011 0.000 0.283 449 Y C 1.566 177.530 175.900 0.107 0.000 1.109 449 Y CA 0.635 58.812 58.100 0.127 0.000 1.239 449 Y CB 0.373 38.941 38.460 0.179 0.000 1.108 449 Y HN -0.185 nan 8.280 nan 0.000 0.548 450 I N -1.887 118.640 120.570 -0.072 0.000 3.570 450 I HA 0.023 4.199 4.170 0.010 0.000 0.270 450 I C 1.970 177.935 176.117 -0.253 0.000 1.162 450 I CA 0.714 61.830 61.300 -0.307 0.000 1.413 450 I CB -0.809 36.947 38.000 -0.406 0.000 1.437 450 I HN -0.028 nan 8.210 nan 0.000 0.457 451 V N 0.998 120.725 119.914 -0.312 0.000 2.379 451 V HA -0.168 3.958 4.120 0.010 0.000 0.243 451 V C 2.537 178.698 176.094 0.112 0.000 1.035 451 V CA 1.611 63.818 62.300 -0.155 0.000 1.035 451 V CB -0.896 30.755 31.823 -0.287 0.000 0.673 451 V HN 0.442 nan 8.190 nan 0.000 0.457 452 H N 1.114 120.202 119.070 0.030 0.000 2.321 452 H HA -0.084 4.478 4.556 0.010 0.000 0.300 452 H C -0.119 175.267 175.328 0.096 0.000 1.087 452 H CA 2.086 58.191 56.048 0.096 0.000 1.319 452 H CB -0.902 28.902 29.762 0.069 0.000 1.379 452 H HN 0.290 nan 8.280 nan 0.000 0.501 453 P HA -0.154 nan 4.420 nan 0.000 0.216 453 P C 1.933 179.234 177.300 0.002 0.000 1.150 453 P CA 0.817 63.971 63.100 0.089 0.000 0.837 453 P CB -0.147 31.593 31.700 0.067 0.000 0.786 454 L N -1.615 119.608 121.223 -0.000 0.000 1.976 454 L HA -0.075 4.271 4.340 0.010 0.000 0.209 454 L C 2.086 178.864 176.870 -0.154 0.000 1.071 454 L CA 1.803 56.586 54.840 -0.096 0.000 0.746 454 L CB -1.605 40.391 42.059 -0.105 0.000 0.890 454 L HN -0.029 nan 8.230 nan 0.000 0.432 455 W N 0.639 121.886 121.300 -0.088 0.000 2.388 455 W HA -0.167 4.502 4.660 0.015 0.000 0.294 455 W C 2.569 179.035 176.519 -0.088 0.000 1.212 455 W CA 1.445 58.741 57.345 -0.081 0.000 1.271 455 W CB -0.226 29.151 29.460 -0.137 0.000 1.126 455 W HN 0.439 nan 8.180 nan 0.000 0.535 456 E N -0.923 119.254 120.200 -0.039 0.000 2.150 456 E HA -0.162 4.194 4.350 0.010 0.000 0.193 456 E C 1.651 178.248 176.600 -0.005 0.000 0.985 456 E CA 1.814 58.172 56.400 -0.071 0.000 0.814 456 E CB -0.862 28.736 29.700 -0.170 0.000 0.752 456 E HN 0.070 nan 8.360 nan 0.000 0.466 457 T N 0.668 115.219 114.554 -0.006 0.000 2.812 457 T HA -0.166 4.190 4.350 0.010 0.000 0.264 457 T C 1.205 175.905 174.700 0.000 0.000 1.042 457 T CA 1.087 63.177 62.100 -0.017 0.000 1.140 457 T CB -0.470 68.376 68.868 -0.037 0.000 0.870 457 T HN 0.419 nan 8.240 nan 0.000 0.445 458 W N 2.294 123.504 121.300 -0.150 0.000 2.358 458 W HA -0.121 4.542 4.660 0.006 0.000 0.303 458 W C 2.443 178.925 176.519 -0.062 0.000 1.208 458 W CA 1.270 58.524 57.345 -0.151 0.000 1.274 458 W CB -0.523 28.755 29.460 -0.303 0.000 1.138 458 W HN 0.302 nan 8.180 nan 0.000 0.515 459 A N 0.633 123.534 122.820 0.133 0.000 1.940 459 A HA -0.246 4.080 4.320 0.010 0.000 0.219 459 A C 1.764 179.295 177.584 -0.088 0.000 1.176 459 A CA 2.068 54.128 52.037 0.039 0.000 0.631 459 A CB -1.008 18.045 19.000 0.088 0.000 0.814 459 A HN 0.256 nan 8.150 nan 0.000 0.446 460 D N -0.485 119.860 120.400 -0.091 0.000 2.097 460 D HA -0.125 4.521 4.640 0.010 0.000 0.197 460 D C 1.897 178.090 176.300 -0.179 0.000 0.984 460 D CA 1.335 55.270 54.000 -0.108 0.000 0.826 460 D CB -0.359 40.392 40.800 -0.082 0.000 0.973 460 D HN 0.325 nan 8.370 nan 0.000 0.460 461 L N 1.019 122.083 121.223 -0.266 0.000 2.013 461 L HA -0.165 4.181 4.340 0.010 0.000 0.212 461 L C 1.893 178.537 176.870 -0.377 0.000 1.073 461 L CA 1.599 56.229 54.840 -0.351 0.000 0.753 461 L CB -0.341 41.398 42.059 -0.532 0.000 0.890 461 L HN 0.046 nan 8.230 nan 0.000 0.432 462 V N -1.821 117.819 119.914 -0.457 0.000 3.043 462 V HA 0.251 4.377 4.120 0.010 0.000 0.357 462 V C 0.500 176.475 176.094 -0.197 0.000 1.372 462 V CA -0.347 61.739 62.300 -0.356 0.000 1.214 462 V CB -1.180 30.371 31.823 -0.453 0.000 1.224 462 V HN 0.612 nan 8.190 nan 0.000 0.507 463 Q N 1.452 121.158 119.800 -0.157 0.000 2.432 463 Q HA 0.344 4.690 4.340 0.010 0.000 0.264 463 Q C -1.754 174.201 176.000 -0.076 0.000 1.035 463 Q CA -0.799 54.947 55.803 -0.095 0.000 0.908 463 Q CB 0.196 28.890 28.738 -0.075 0.000 1.280 463 Q HN 0.365 nan 8.270 nan 0.000 0.455 464 P HA 0.089 nan 4.420 nan 0.000 0.254 464 P C -0.568 176.709 177.300 -0.037 0.000 1.494 464 P CA -0.063 63.012 63.100 -0.041 0.000 0.961 464 P CB 0.370 32.052 31.700 -0.031 0.000 1.493 465 D N 1.238 121.612 120.400 -0.043 0.000 2.178 465 D HA -0.104 4.542 4.640 0.010 0.000 0.201 465 D C 1.530 177.813 176.300 -0.029 0.000 0.980 465 D CA 1.278 55.260 54.000 -0.030 0.000 0.842 465 D CB -0.214 40.573 40.800 -0.021 0.000 0.948 465 D HN 0.243 nan 8.370 nan 0.000 0.472 466 A N 0.311 123.127 122.820 -0.006 0.000 2.423 466 A HA 0.060 4.386 4.320 0.010 0.000 0.246 466 A C 1.787 179.346 177.584 -0.042 0.000 1.278 466 A CA -0.082 51.954 52.037 -0.002 0.000 0.903 466 A CB 0.214 19.340 19.000 0.210 0.000 0.997 466 A HN -0.074 nan 8.150 nan 0.000 0.510 467 Q N 0.891 120.667 119.800 -0.039 0.000 2.124 467 Q HA -0.196 4.150 4.340 0.010 0.000 0.202 467 Q C 1.347 177.315 176.000 -0.054 0.000 0.977 467 Q CA 2.387 58.170 55.803 -0.033 0.000 0.850 467 Q CB -0.376 28.349 28.738 -0.020 0.000 0.901 467 Q HN 0.669 nan 8.270 nan 0.000 0.429 468 D N -1.082 119.272 120.400 -0.078 0.000 2.144 468 D HA -0.085 4.561 4.640 0.010 0.000 0.200 468 D C 1.676 177.899 176.300 -0.129 0.000 0.978 468 D CA 1.122 55.074 54.000 -0.079 0.000 0.833 468 D CB -0.027 40.735 40.800 -0.063 0.000 0.961 468 D HN 0.342 nan 8.370 nan 0.000 0.470 469 I N -0.058 120.362 120.570 -0.249 0.000 2.163 469 I HA -0.239 3.937 4.170 0.010 0.000 0.243 469 I C 2.074 178.025 176.117 -0.278 0.000 1.085 469 I CA 0.517 61.579 61.300 -0.396 0.000 1.347 469 I CB -0.109 37.457 38.000 -0.722 0.000 1.044 469 I HN 0.164 nan 8.210 nan 0.000 0.408 470 L N 0.477 121.601 121.223 -0.164 0.000 2.083 470 L HA -0.237 4.109 4.340 0.010 0.000 0.209 470 L C 1.948 178.804 176.870 -0.023 0.000 1.083 470 L CA 1.914 56.708 54.840 -0.077 0.000 0.752 470 L CB -0.815 41.234 42.059 -0.017 0.000 0.899 470 L HN 0.204 nan 8.230 nan 0.000 0.433 471 D N -1.463 118.922 120.400 -0.025 0.000 2.097 471 D HA -0.147 4.499 4.640 0.010 0.000 0.195 471 D C 2.065 178.372 176.300 0.012 0.000 0.989 471 D CA 1.759 55.764 54.000 0.008 0.000 0.827 471 D CB -0.176 40.626 40.800 0.003 0.000 0.966 471 D HN 0.295 nan 8.370 nan 0.000 0.456 472 T N 1.391 115.935 114.554 -0.017 0.000 2.746 472 T HA -0.133 4.223 4.350 0.010 0.000 0.267 472 T C 1.914 176.614 174.700 -0.000 0.000 1.039 472 T CA 0.525 62.624 62.100 -0.002 0.000 1.142 472 T CB -0.373 68.496 68.868 0.001 0.000 0.866 472 T HN 0.030 nan 8.240 nan 0.000 0.444 473 L N 1.577 122.771 121.223 -0.049 0.000 2.013 473 L HA -0.122 4.224 4.340 0.010 0.000 0.212 473 L C 2.343 179.259 176.870 0.077 0.000 1.073 473 L CA 2.017 56.836 54.840 -0.036 0.000 0.753 473 L CB -0.681 41.330 42.059 -0.081 0.000 0.890 473 L HN 0.302 nan 8.230 nan 0.000 0.432 474 E N -1.291 118.971 120.200 0.102 0.000 2.152 474 E HA -0.198 4.157 4.350 0.010 0.000 0.192 474 E C 1.638 178.313 176.600 0.125 0.000 0.983 474 E CA 0.997 57.472 56.400 0.125 0.000 0.818 474 E CB 0.019 29.793 29.700 0.123 0.000 0.758 474 E HN 0.569 nan 8.360 nan 0.000 0.467 475 D N 0.614 121.080 120.400 0.111 0.000 2.117 475 D HA -0.142 4.504 4.640 0.010 0.000 0.197 475 D C 1.611 178.032 176.300 0.202 0.000 0.987 475 D CA 0.768 54.847 54.000 0.132 0.000 0.829 475 D CB -0.363 40.492 40.800 0.091 0.000 0.961 475 D HN 0.166 nan 8.370 nan 0.000 0.460 476 N N 0.728 119.546 118.700 0.197 0.000 2.166 476 N HA -0.137 4.609 4.740 0.010 0.000 0.186 476 N C 1.751 177.549 175.510 0.481 0.000 1.019 476 N CA 0.477 53.722 53.050 0.326 0.000 0.856 476 N CB -0.250 38.412 38.487 0.292 0.000 0.993 476 N HN 0.235 nan 8.380 nan 0.000 0.426 477 R N 1.008 121.713 120.500 0.341 0.000 2.081 477 R HA -0.009 4.337 4.340 0.010 0.000 0.235 477 R C 0.985 177.478 176.300 0.322 0.000 1.131 477 R CA 1.141 57.443 56.100 0.338 0.000 0.960 477 R CB -0.071 30.355 30.300 0.210 0.000 0.856 477 R HN 0.179 nan 8.270 nan 0.000 0.436 478 N N -0.078 118.775 118.700 0.256 0.000 2.331 478 N HA -0.170 4.576 4.740 0.010 0.000 0.180 478 N C 1.208 176.850 175.510 0.220 0.000 1.019 478 N CA 0.979 54.148 53.050 0.198 0.000 0.881 478 N CB -0.445 38.130 38.487 0.146 0.000 0.972 478 N HN 0.331 nan 8.380 nan 0.000 0.435 479 W N 1.046 122.395 121.300 0.081 0.000 2.355 479 W HA -0.150 4.516 4.660 0.009 0.000 0.309 479 W C 1.667 178.165 176.519 -0.035 0.000 1.206 479 W CA 1.305 58.642 57.345 -0.014 0.000 1.284 479 W CB -0.573 28.839 29.460 -0.080 0.000 1.145 479 W HN 0.026 nan 8.180 nan 0.000 0.502 480 Y N 0.194 120.675 120.300 0.303 0.000 2.242 480 Y HA -0.261 4.295 4.550 0.011 0.000 0.291 480 Y C 2.611 178.523 175.900 0.021 0.000 1.137 480 Y CA 1.980 60.158 58.100 0.131 0.000 1.181 480 Y CB -1.237 37.382 38.460 0.266 0.000 0.989 480 Y HN 0.048 nan 8.280 nan 0.000 0.527 481 Q N 0.829 120.751 119.800 0.204 0.000 2.181 481 Q HA -0.187 4.159 4.340 0.010 0.000 0.205 481 Q C 2.086 178.097 176.000 0.018 0.000 0.980 481 Q CA 1.812 57.681 55.803 0.110 0.000 0.862 481 Q CB -0.414 28.388 28.738 0.106 0.000 0.905 481 Q HN 0.394 nan 8.270 nan 0.000 0.429 482 A N -0.198 122.589 122.820 -0.055 0.000 2.066 482 A HA -0.019 4.307 4.320 0.010 0.000 0.218 482 A C 1.930 179.422 177.584 -0.153 0.000 1.157 482 A CA 1.127 53.095 52.037 -0.116 0.000 0.670 482 A CB -0.371 18.520 19.000 -0.180 0.000 0.804 482 A HN 0.509 nan 8.150 nan 0.000 0.453 483 M N -0.485 119.000 119.600 -0.191 0.000 2.659 483 M HA 0.170 4.656 4.480 0.010 0.000 0.243 483 M C -0.431 175.831 176.300 -0.064 0.000 1.111 483 M CA 0.625 55.825 55.300 -0.167 0.000 1.070 483 M CB -0.078 32.402 32.600 -0.201 0.000 1.525 483 M HN 0.229 nan 8.290 nan 0.000 0.517 484 I N 1.078 121.630 120.570 -0.029 0.000 2.321 484 I HA 0.228 4.403 4.170 0.010 0.000 0.291 484 I C -1.629 174.483 176.117 -0.007 0.000 0.998 484 I CA -2.091 59.209 61.300 0.001 0.000 1.227 484 I CB 0.845 38.862 38.000 0.029 0.000 1.368 484 I HN -0.036 nan 8.210 nan 0.000 0.466 496 N N 2.031 120.723 118.700 -0.013 0.000 2.058 496 N HA -0.082 4.664 4.740 0.010 0.000 0.191 496 N C 1.656 177.138 175.510 -0.046 0.000 1.037 496 N CA 1.558 54.589 53.050 -0.031 0.000 0.848 496 N CB -0.122 38.371 38.487 0.011 0.000 1.021 496 N HN 0.163 nan 8.380 nan 0.000 0.422 497 R N 0.605 121.092 120.500 -0.022 0.000 2.134 497 R HA -0.168 4.178 4.340 0.010 0.000 0.248 497 R C 1.325 177.603 176.300 -0.037 0.000 1.143 497 R CA 1.866 57.953 56.100 -0.022 0.000 0.957 497 R CB -0.290 30.004 30.300 -0.010 0.000 0.867 497 R HN 0.272 nan 8.270 nan 0.000 0.441 498 D N -0.897 119.480 120.400 -0.039 0.000 2.263 498 D HA -0.102 4.544 4.640 0.010 0.000 0.208 498 D C 1.180 177.427 176.300 -0.090 0.000 0.971 498 D CA 0.873 54.847 54.000 -0.043 0.000 0.867 498 D CB -0.025 40.763 40.800 -0.021 0.000 0.929 498 D HN 0.292 nan 8.370 nan 0.000 0.492 499 C N 0.067 119.269 119.300 -0.162 0.000 2.799 499 C HA 0.131 4.597 4.460 0.010 0.000 0.267 499 C C 2.283 177.140 174.990 -0.222 0.000 1.257 499 C CA -0.459 58.358 59.018 -0.334 0.000 1.702 499 C CB -0.670 26.638 27.740 -0.721 0.000 1.934 499 C HN 0.339 nan 8.230 nan 0.000 0.594 500 Q N 1.048 120.778 119.800 -0.116 0.000 2.152 500 Q HA -0.153 4.193 4.340 0.010 0.000 0.206 500 Q C 2.359 178.311 176.000 -0.080 0.000 0.985 500 Q CA 1.984 57.745 55.803 -0.069 0.000 0.863 500 Q CB -0.307 28.404 28.738 -0.045 0.000 0.904 500 Q HN 0.802 nan 8.270 nan 0.000 0.422 501 G N 0.760 109.505 108.800 -0.091 0.000 2.433 501 G HA2 -0.225 3.741 3.960 0.010 0.000 0.216 501 G HA3 -0.225 3.741 3.960 0.010 0.000 0.216 501 G C 1.361 176.156 174.900 -0.175 0.000 1.186 501 G CA 0.623 45.653 45.100 -0.117 0.000 0.779 501 G HN 0.200 nan 8.290 nan 0.000 0.543 502 L N 0.020 121.174 121.223 -0.115 0.000 2.083 502 L HA -0.069 4.277 4.340 0.010 0.000 0.209 502 L C 3.129 179.936 176.870 -0.104 0.000 1.083 502 L CA 0.929 55.708 54.840 -0.102 0.000 0.752 502 L CB -0.383 41.875 42.059 0.331 0.000 0.899 502 L HN 0.237 nan 8.230 nan 0.000 0.433 503 M N -0.501 119.100 119.600 0.001 0.000 2.086 503 M HA -0.246 4.240 4.480 0.010 0.000 0.261 503 M C 2.310 178.489 176.300 -0.201 0.000 1.067 503 M CA 1.935 57.210 55.300 -0.043 0.000 1.116 503 M CB -0.577 32.087 32.600 0.107 0.000 1.348 503 M HN 0.275 nan 8.290 nan 0.000 0.407 504 E N 0.956 121.062 120.200 -0.157 0.000 2.106 504 E HA -0.254 4.102 4.350 0.010 0.000 0.192 504 E C 1.946 178.407 176.600 -0.232 0.000 0.984 504 E CA 1.418 57.726 56.400 -0.154 0.000 0.806 504 E CB 0.096 29.725 29.700 -0.119 0.000 0.750 504 E HN 0.281 nan 8.360 nan 0.000 0.458 505 K N -0.206 119.969 120.400 -0.374 0.000 2.025 505 K HA -0.113 4.213 4.320 0.010 0.000 0.207 505 K C 1.515 177.844 176.600 -0.452 0.000 1.049 505 K CA 1.539 57.515 56.287 -0.518 0.000 0.933 505 K CB -0.229 31.737 32.500 -0.890 0.000 0.714 505 K HN 0.119 nan 8.250 nan 0.000 0.438 506 F N 1.356 121.141 119.950 -0.275 0.000 2.664 506 F HA 0.192 4.725 4.527 0.010 0.000 0.296 506 F C 0.088 175.667 175.800 -0.368 0.000 1.125 506 F CA 0.209 58.007 58.000 -0.336 0.000 1.444 506 F CB -0.142 38.583 39.000 -0.458 0.000 1.114 506 F HN 0.025 nan 8.300 nan 0.000 0.576 507 Q N 0.445 120.100 119.800 -0.242 0.000 2.454 507 Q HA -0.224 4.122 4.340 0.010 0.000 0.341 507 Q C -0.900 175.108 176.000 0.014 0.000 1.437 507 Q CA 0.410 56.157 55.803 -0.095 0.000 0.935 507 Q CB -2.362 26.376 28.738 -0.000 0.000 1.164 507 Q HN 0.209 nan 8.270 nan 0.000 0.373 508 F N 0.753 120.811 119.950 0.181 0.000 2.608 508 F HA 0.064 4.596 4.527 0.009 0.000 0.380 508 F C 1.361 177.222 175.800 0.102 0.000 1.083 508 F CA 0.032 58.123 58.000 0.152 0.000 1.266 508 F CB 0.318 39.418 39.000 0.167 0.000 1.076 508 F HN 0.122 nan 8.300 nan 0.000 0.574 509 E N 4.182 124.548 120.200 0.276 0.000 2.089 509 E HA 0.275 4.631 4.350 0.010 0.000 0.284 509 E C -0.205 176.469 176.600 0.123 0.000 1.023 509 E CA -0.440 56.056 56.400 0.159 0.000 0.819 509 E CB 0.313 30.084 29.700 0.118 0.000 1.076 509 E HN 0.563 nan 8.360 nan 0.000 0.396 510 L N 3.554 124.840 121.223 0.105 0.000 2.858 510 L HA 0.176 4.522 4.340 0.010 0.000 0.243 510 L C 0.847 177.745 176.870 0.046 0.000 1.416 510 L CA -0.535 54.349 54.840 0.074 0.000 1.182 510 L CB -1.856 40.247 42.059 0.073 0.000 1.564 510 L HN 0.496 nan 8.230 nan 0.000 0.436 511 T N 0.000 114.576 114.554 0.037 0.000 3.816 511 T HA 0.000 4.356 4.350 0.010 0.000 0.228 511 T CA 0.000 62.114 62.100 0.023 0.000 1.349 511 T CB 0.000 68.873 68.868 0.009 0.000 0.612 511 T HN 0.000 nan 8.240 nan 0.000 0.658