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 2w1z_1_B DATA FIRST_RESID 194 DATA SEQUENCE HTDPGDVVIE ELFNRIPETS VWNENERVLS NANHLVSTAL WRNEQSFRVE DATA SEQUENCE SELGERPRTL VRGPVLRDDG SYICLEATDQ ETGEPLEVHV PYFTERPPSN DATA SEQUENCE AIKQLSEQVL RLRLLRGIKN QRQAKAYLRF IFPIDLVKDP KKRKMIRVRL DATA SEQUENCE DERDMWVLSR FFLYPRMQSN LHILGDVLLS HSSTHKSLVH HARLQLTLQL DATA SEQUENCE IRLAASLQHY GLVHADFQVR NILLDQRGGV FLTGFEHLVR DGASAVSPIG DATA SEQUENCE RGFAPPETTA ERXXXXXXHH PTLMTFPFDT WTLGLAIYWI WcADLPNTED DATA SEQUENCE AELGGIEWIY RRcKNIPQPV RALLEGFLRY SKEDRLLPLQ AMETSEYEQL DATA SEQUENCE RTELSAVLPL YQTD 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 194 H HA 0.000 nan 4.556 nan 0.000 0.296 194 H C 0.000 175.364 175.328 0.060 0.000 0.993 194 H CA 0.000 56.095 56.048 0.078 0.000 1.023 194 H CB 0.000 29.828 29.762 0.110 0.000 1.292 195 T N -1.138 113.475 114.554 0.099 0.000 2.950 195 T HA 0.433 4.787 4.350 0.008 0.000 0.288 195 T C -0.102 174.615 174.700 0.028 0.000 1.035 195 T CA -0.852 61.285 62.100 0.061 0.000 1.028 195 T CB 3.056 71.948 68.868 0.040 0.000 1.109 195 T HN 0.307 nan 8.240 nan 0.000 0.514 196 D N 0.943 121.342 120.400 -0.002 0.000 2.168 196 D HA 0.462 5.107 4.640 0.008 0.000 0.246 196 D C -1.563 174.719 176.300 -0.030 0.000 1.050 196 D CA -2.351 51.637 54.000 -0.020 0.000 0.857 196 D CB 1.755 42.529 40.800 -0.044 0.000 1.169 196 D HN 0.182 nan 8.370 nan 0.000 0.453 197 P HA -0.047 nan 4.420 nan 0.000 0.216 197 P C 1.179 178.440 177.300 -0.065 0.000 1.150 197 P CA 0.963 64.042 63.100 -0.036 0.000 0.843 197 P CB 0.183 31.866 31.700 -0.030 0.000 0.787 198 G N -0.847 107.902 108.800 -0.085 0.000 2.650 198 G HA2 -0.169 3.796 3.960 0.008 0.000 0.214 198 G HA3 -0.169 3.796 3.960 0.008 0.000 0.214 198 G C 1.036 175.837 174.900 -0.166 0.000 1.136 198 G CA 0.251 45.270 45.100 -0.135 0.000 0.789 198 G HN 0.145 nan 8.290 nan 0.000 0.536 199 D N 0.940 121.265 120.400 -0.125 0.000 2.149 199 D HA -0.187 4.458 4.640 0.008 0.000 0.194 199 D C 2.960 179.160 176.300 -0.166 0.000 1.001 199 D CA 1.699 55.621 54.000 -0.130 0.000 0.849 199 D CB -0.586 40.173 40.800 -0.067 0.000 0.939 199 D HN 0.354 nan 8.370 nan 0.000 0.449 200 V N -0.978 118.854 119.914 -0.137 0.000 2.453 200 V HA -0.237 3.888 4.120 0.008 0.000 0.252 200 V C 2.332 178.288 176.094 -0.231 0.000 1.068 200 V CA 1.402 63.630 62.300 -0.121 0.000 1.070 200 V CB -1.114 30.684 31.823 -0.042 0.000 0.664 200 V HN 0.058 nan 8.190 nan 0.000 0.461 201 V N 0.358 120.020 119.914 -0.420 0.000 2.343 201 V HA -0.175 3.950 4.120 0.008 0.000 0.247 201 V C 2.588 178.428 176.094 -0.422 0.000 1.051 201 V CA 2.186 64.085 62.300 -0.669 0.000 1.036 201 V CB -0.631 30.783 31.823 -0.682 0.000 0.654 201 V HN 0.459 nan 8.190 nan 0.000 0.451 202 I N 0.032 120.358 120.570 -0.407 0.000 2.353 202 I HA -0.136 4.039 4.170 0.008 0.000 0.248 202 I C 2.470 178.139 176.117 -0.747 0.000 1.119 202 I CA 1.260 62.221 61.300 -0.565 0.000 1.417 202 I CB -1.287 36.381 38.000 -0.553 0.000 1.078 202 I HN 0.442 nan 8.210 nan 0.000 0.421 203 E N 0.816 120.753 120.200 -0.437 0.000 2.058 203 E HA -0.288 4.067 4.350 0.008 0.000 0.194 203 E C 2.047 178.588 176.600 -0.099 0.000 0.997 203 E CA 1.612 57.882 56.400 -0.218 0.000 0.801 203 E CB -0.079 29.584 29.700 -0.061 0.000 0.746 203 E HN 0.373 nan 8.360 nan 0.000 0.450 204 E N 1.015 121.171 120.200 -0.075 0.000 2.077 204 E HA -0.185 4.170 4.350 0.008 0.000 0.193 204 E C 1.939 178.542 176.600 0.004 0.000 0.989 204 E CA 0.561 56.984 56.400 0.038 0.000 0.800 204 E CB -0.222 29.601 29.700 0.204 0.000 0.746 204 E HN 0.150 nan 8.360 nan 0.000 0.452 205 L N -0.202 120.960 121.223 -0.101 0.000 2.043 205 L HA -0.164 4.181 4.340 0.008 0.000 0.212 205 L C 1.979 178.851 176.870 0.003 0.000 1.075 205 L CA 1.749 56.522 54.840 -0.112 0.000 0.752 205 L CB -0.649 41.273 42.059 -0.227 0.000 0.891 205 L HN 0.154 nan 8.230 nan 0.000 0.432 206 F N -0.147 119.749 119.950 -0.089 0.000 2.171 206 F HA -0.159 4.371 4.527 0.006 0.000 0.300 206 F C 2.480 178.233 175.800 -0.078 0.000 1.090 206 F CA 1.060 59.004 58.000 -0.094 0.000 1.293 206 F CB -1.379 37.577 39.000 -0.072 0.000 1.013 206 F HN 0.262 nan 8.300 nan 0.000 0.486 207 N N -0.126 118.662 118.700 0.146 0.000 2.171 207 N HA -0.090 4.655 4.740 0.008 0.000 0.184 207 N C 1.986 177.514 175.510 0.031 0.000 1.021 207 N CA 0.767 53.863 53.050 0.076 0.000 0.854 207 N CB -0.062 38.468 38.487 0.072 0.000 0.994 207 N HN 0.070 nan 8.380 nan 0.000 0.426 208 R N 0.079 120.582 120.500 0.006 0.000 2.140 208 R HA 0.232 4.577 4.340 0.008 0.000 0.213 208 R C 0.288 176.500 176.300 -0.146 0.000 1.059 208 R CA 0.376 56.457 56.100 -0.031 0.000 1.000 208 R CB 0.273 30.567 30.300 -0.010 0.000 0.910 208 R HN 0.227 nan 8.270 nan 0.000 0.455 209 I N 2.121 122.571 120.570 -0.199 0.000 2.555 209 I HA 0.203 4.378 4.170 0.008 0.000 0.275 209 I C -1.922 174.088 176.117 -0.178 0.000 1.082 209 I CA -1.901 59.212 61.300 -0.311 0.000 1.167 209 I CB 2.055 39.731 38.000 -0.540 0.000 1.312 209 I HN -0.255 nan 8.210 nan 0.000 0.493 210 P HA -0.152 nan 4.420 nan 0.000 0.221 210 P C 1.320 178.552 177.300 -0.114 0.000 1.145 210 P CA 1.095 64.144 63.100 -0.084 0.000 0.795 210 P CB 0.244 31.913 31.700 -0.051 0.000 0.775 211 E N -0.525 119.599 120.200 -0.127 0.000 2.114 211 E HA -0.202 4.153 4.350 0.008 0.000 0.199 211 E C 1.831 178.353 176.600 -0.129 0.000 1.008 211 E CA 2.183 58.518 56.400 -0.109 0.000 0.810 211 E CB -0.800 28.837 29.700 -0.105 0.000 0.739 211 E HN 0.419 nan 8.360 nan 0.000 0.456 212 T N -1.173 113.301 114.554 -0.132 0.000 3.007 212 T HA -0.077 4.278 4.350 0.008 0.000 0.270 212 T C 1.869 176.448 174.700 -0.202 0.000 1.107 212 T CA 1.284 63.355 62.100 -0.049 0.000 1.118 212 T CB -0.171 68.759 68.868 0.104 0.000 0.889 212 T HN 0.095 nan 8.240 nan 0.000 0.506 213 S N 0.481 115.931 115.700 -0.416 0.000 2.556 213 S HA 0.408 4.883 4.470 0.008 0.000 0.216 213 S C 0.521 174.745 174.600 -0.628 0.000 0.970 213 S CA -0.240 57.410 58.200 -0.918 0.000 0.912 213 S CB -0.401 62.371 63.200 -0.714 0.000 0.790 213 S HN 0.660 nan 8.310 nan 0.000 0.504 214 V N -3.600 116.064 119.914 -0.417 0.000 3.074 214 V HA 0.620 4.745 4.120 0.008 0.000 0.314 214 V C 0.425 176.336 176.094 -0.305 0.000 1.117 214 V CA -1.410 60.708 62.300 -0.302 0.000 1.014 214 V CB 0.747 32.497 31.823 -0.121 0.000 1.057 214 V HN 0.319 nan 8.190 nan 0.000 0.438 215 W N -0.275 120.986 121.300 -0.064 0.000 2.467 215 W HA 0.114 4.777 4.660 0.006 0.000 0.275 215 W C 1.535 178.046 176.519 -0.012 0.000 1.239 215 W CA 0.990 58.315 57.345 -0.034 0.000 1.266 215 W CB -0.114 29.324 29.460 -0.037 0.000 1.112 215 W HN 0.953 nan 8.180 nan 0.000 0.576 216 N N 1.271 120.069 118.700 0.163 0.000 2.714 216 N HA -0.252 4.493 4.740 0.008 0.000 0.252 216 N C -0.541 175.041 175.510 0.121 0.000 1.014 216 N CA 1.070 54.184 53.050 0.107 0.000 0.735 216 N CB -1.215 37.315 38.487 0.071 0.000 0.924 216 N HN 0.166 nan 8.380 nan 0.000 0.540 217 E N 0.451 120.730 120.200 0.131 0.000 2.360 217 E HA 0.202 4.557 4.350 0.008 0.000 0.269 217 E C 0.212 176.844 176.600 0.053 0.000 1.022 217 E CA -0.403 56.049 56.400 0.086 0.000 0.887 217 E CB 0.343 30.073 29.700 0.050 0.000 0.990 217 E HN 0.421 nan 8.360 nan 0.000 0.426 218 N N 3.115 121.841 118.700 0.043 0.000 2.293 218 N HA -0.132 4.613 4.740 0.008 0.000 0.253 218 N C 0.553 176.071 175.510 0.013 0.000 1.248 218 N CA 0.322 53.388 53.050 0.028 0.000 0.845 218 N CB 0.592 39.093 38.487 0.023 0.000 1.073 218 N HN 0.450 nan 8.380 nan 0.000 0.464 219 E N 3.090 123.296 120.200 0.011 0.000 2.106 219 E HA -0.166 4.189 4.350 0.008 0.000 0.192 219 E C 1.561 178.155 176.600 -0.010 0.000 0.984 219 E CA 1.193 57.594 56.400 0.002 0.000 0.806 219 E CB -0.068 29.634 29.700 0.004 0.000 0.750 219 E HN 0.621 nan 8.360 nan 0.000 0.458 220 R N 0.305 120.798 120.500 -0.012 0.000 2.075 220 R HA -0.059 4.286 4.340 0.008 0.000 0.232 220 R C 2.524 178.804 176.300 -0.034 0.000 1.126 220 R CA 0.993 57.078 56.100 -0.024 0.000 0.963 220 R CB -0.451 29.837 30.300 -0.021 0.000 0.858 220 R HN -0.009 nan 8.270 nan 0.000 0.435 221 V N 1.525 121.422 119.914 -0.028 0.000 2.332 221 V HA -0.241 3.884 4.120 0.008 0.000 0.248 221 V C 2.275 178.334 176.094 -0.058 0.000 1.055 221 V CA 1.707 63.981 62.300 -0.043 0.000 1.038 221 V CB -0.424 31.383 31.823 -0.027 0.000 0.651 221 V HN 0.288 nan 8.190 nan 0.000 0.450 222 L N -0.368 120.831 121.223 -0.042 0.000 2.046 222 L HA -0.165 4.180 4.340 0.008 0.000 0.208 222 L C 2.721 179.565 176.870 -0.043 0.000 1.077 222 L CA 1.881 56.694 54.840 -0.044 0.000 0.747 222 L CB -0.625 41.420 42.059 -0.023 0.000 0.896 222 L HN 0.386 nan 8.230 nan 0.000 0.432 223 S N 0.011 115.690 115.700 -0.035 0.000 2.355 223 S HA -0.158 4.317 4.470 0.008 0.000 0.222 223 S C 1.818 176.400 174.600 -0.031 0.000 1.031 223 S CA 1.490 59.672 58.200 -0.029 0.000 0.993 223 S CB -0.171 63.009 63.200 -0.033 0.000 0.859 223 S HN 0.409 nan 8.310 nan 0.000 0.453 224 N N 1.901 120.569 118.700 -0.054 0.000 2.069 224 N HA -0.002 4.743 4.740 0.008 0.000 0.191 224 N C 1.857 177.325 175.510 -0.070 0.000 1.031 224 N CA 1.501 54.514 53.050 -0.062 0.000 0.852 224 N CB -0.905 37.533 38.487 -0.083 0.000 1.018 224 N HN 0.506 nan 8.380 nan 0.000 0.423 225 A N 0.800 123.550 122.820 -0.117 0.000 1.930 225 A HA -0.135 4.190 4.320 0.008 0.000 0.217 225 A C 2.143 179.654 177.584 -0.121 0.000 1.175 225 A CA 1.534 53.467 52.037 -0.173 0.000 0.627 225 A CB -0.683 18.203 19.000 -0.190 0.000 0.815 225 A HN 0.293 nan 8.150 nan 0.000 0.443 226 N N -0.500 118.159 118.700 -0.067 0.000 2.120 226 N HA -0.213 4.532 4.740 0.008 0.000 0.188 226 N C 1.609 177.096 175.510 -0.038 0.000 1.024 226 N CA 2.015 55.039 53.050 -0.045 0.000 0.852 226 N CB -0.551 37.926 38.487 -0.016 0.000 1.003 226 N HN 0.681 nan 8.380 nan 0.000 0.424 227 H N 0.199 119.206 119.070 -0.105 0.000 2.319 227 H HA 0.020 4.581 4.556 0.008 0.000 0.299 227 H C 2.113 177.359 175.328 -0.137 0.000 1.092 227 H CA 1.746 57.729 56.048 -0.107 0.000 1.302 227 H CB -0.372 29.331 29.762 -0.098 0.000 1.373 227 H HN 0.162 nan 8.280 nan 0.000 0.497 228 L N -0.636 120.507 121.223 -0.132 0.000 2.012 228 L HA -0.185 4.160 4.340 0.008 0.000 0.210 228 L C 2.416 179.125 176.870 -0.269 0.000 1.073 228 L CA 1.499 56.209 54.840 -0.216 0.000 0.748 228 L CB -0.395 41.533 42.059 -0.217 0.000 0.891 228 L HN 0.267 nan 8.230 nan 0.000 0.431 229 V N -1.239 118.528 119.914 -0.246 0.000 2.379 229 V HA -0.197 3.928 4.120 0.008 0.000 0.245 229 V C 2.503 178.410 176.094 -0.312 0.000 1.044 229 V CA 1.691 63.813 62.300 -0.298 0.000 1.036 229 V CB -0.094 31.602 31.823 -0.212 0.000 0.664 229 V HN 0.369 nan 8.190 nan 0.000 0.453 230 S N -0.082 115.486 115.700 -0.220 0.000 2.399 230 S HA -0.187 4.288 4.470 0.008 0.000 0.231 230 S C 2.031 176.487 174.600 -0.241 0.000 1.022 230 S CA 1.953 60.046 58.200 -0.180 0.000 0.983 230 S CB -0.316 62.812 63.200 -0.119 0.000 0.803 230 S HN 0.694 nan 8.310 nan 0.000 0.480 231 T N 2.013 116.371 114.554 -0.326 0.000 2.814 231 T HA 0.151 4.506 4.350 0.008 0.000 0.254 231 T C 2.214 176.737 174.700 -0.296 0.000 1.037 231 T CA 1.031 62.936 62.100 -0.325 0.000 1.143 231 T CB -0.427 68.182 68.868 -0.431 0.000 0.866 231 T HN 0.432 nan 8.240 nan 0.000 0.431 232 A N 0.141 122.762 122.820 -0.332 0.000 1.929 232 A HA 0.257 4.582 4.320 0.008 0.000 0.216 232 A C 1.921 179.238 177.584 -0.446 0.000 1.176 232 A CA 1.032 52.871 52.037 -0.331 0.000 0.628 232 A CB -0.303 18.514 19.000 -0.304 0.000 0.816 232 A HN 0.411 nan 8.150 nan 0.000 0.444 233 L N -3.501 117.332 121.223 -0.650 0.000 3.569 233 L HA 0.330 4.675 4.340 0.008 0.000 0.178 233 L C -0.125 176.091 176.870 -1.090 0.000 1.286 233 L CA -0.525 53.581 54.840 -1.222 0.000 0.952 233 L CB 0.160 40.991 42.059 -2.047 0.000 1.540 233 L HN 0.525 nan 8.230 nan 0.000 0.661 234 W N 0.411 121.545 121.300 -0.277 0.000 3.217 234 W HA 0.523 5.190 4.660 0.012 0.000 0.323 234 W C -0.843 175.579 176.519 -0.163 0.000 1.216 234 W CA -0.835 56.376 57.345 -0.224 0.000 1.194 234 W CB 1.173 30.431 29.460 -0.337 0.000 1.397 234 W HN 0.060 nan 8.180 nan 0.000 0.537 235 R N 1.266 121.846 120.500 0.133 0.000 2.583 235 R HA 0.172 4.517 4.340 0.008 0.000 0.268 235 R C 0.272 176.635 176.300 0.106 0.000 1.101 235 R CA -0.993 55.152 56.100 0.074 0.000 1.180 235 R CB 0.442 30.767 30.300 0.042 0.000 1.128 235 R HN 0.281 nan 8.270 nan 0.000 0.568 236 N N 1.429 120.170 118.700 0.069 0.000 2.412 236 N HA -0.119 4.626 4.740 0.008 0.000 0.254 236 N C -0.448 175.102 175.510 0.067 0.000 1.232 236 N CA 0.919 54.008 53.050 0.066 0.000 0.880 236 N CB 0.264 38.777 38.487 0.042 0.000 1.076 236 N HN 0.679 nan 8.380 nan 0.000 0.458 237 E N -1.430 118.811 120.200 0.068 0.000 3.496 237 E HA -0.355 4.000 4.350 0.008 0.000 0.300 237 E C -0.583 176.059 176.600 0.071 0.000 0.877 237 E CA 0.530 56.964 56.400 0.056 0.000 1.050 237 E CB -1.129 28.594 29.700 0.038 0.000 1.532 237 E HN 0.754 nan 8.360 nan 0.000 0.447 238 Q N 1.149 121.017 119.800 0.113 0.000 2.288 238 Q HA 0.332 4.677 4.340 0.008 0.000 0.254 238 Q C -0.443 175.662 176.000 0.175 0.000 0.932 238 Q CA -0.019 55.872 55.803 0.146 0.000 0.902 238 Q CB 1.345 30.204 28.738 0.201 0.000 1.203 238 Q HN 0.048 nan 8.270 nan 0.000 0.415 239 S N 3.614 119.389 115.700 0.125 0.000 2.554 239 S HA 0.660 5.134 4.470 0.008 0.000 0.278 239 S C -1.119 173.568 174.600 0.146 0.000 1.242 239 S CA -0.624 57.602 58.200 0.045 0.000 1.051 239 S CB 0.163 63.360 63.200 -0.004 0.000 0.986 239 S HN 0.475 nan 8.310 nan 0.000 0.502 240 F N 1.576 121.419 119.950 -0.178 0.000 2.628 240 F HA 0.613 5.148 4.527 0.012 0.000 0.309 240 F C -0.674 175.068 175.800 -0.097 0.000 1.108 240 F CA -1.282 56.625 58.000 -0.154 0.000 0.971 240 F CB 1.109 39.864 39.000 -0.407 0.000 1.279 240 F HN 0.372 nan 8.300 nan 0.000 0.441 241 R N 2.269 122.824 120.500 0.091 0.000 2.308 241 R HA 0.691 5.036 4.340 0.008 0.000 0.305 241 R C -0.798 175.594 176.300 0.153 0.000 1.053 241 R CA -0.814 55.309 56.100 0.038 0.000 0.957 241 R CB 1.805 32.135 30.300 0.051 0.000 1.022 241 R HN 0.732 nan 8.270 nan 0.000 0.461 242 V N -0.621 119.336 119.914 0.073 0.000 2.769 242 V HA 0.578 4.703 4.120 0.008 0.000 0.312 242 V C -0.569 175.538 176.094 0.021 0.000 1.061 242 V CA -0.894 61.472 62.300 0.111 0.000 0.931 242 V CB 2.173 34.076 31.823 0.133 0.000 1.010 242 V HN 0.720 nan 8.190 nan 0.000 0.433 243 E N 1.635 121.835 120.200 0.000 0.000 2.222 243 E HA 0.506 4.861 4.350 0.008 0.000 0.267 243 E C -0.855 175.709 176.600 -0.061 0.000 0.884 243 E CA -0.637 55.749 56.400 -0.024 0.000 0.764 243 E CB 2.143 31.839 29.700 -0.008 0.000 1.169 243 E HN 0.874 nan 8.360 nan 0.000 0.413 244 S N 1.794 117.461 115.700 -0.055 0.000 2.528 244 S HA 0.016 4.491 4.470 0.008 0.000 0.277 244 S C 0.824 175.389 174.600 -0.059 0.000 1.297 244 S CA -0.355 57.806 58.200 -0.066 0.000 1.052 244 S CB 0.509 63.679 63.200 -0.049 0.000 0.917 244 S HN 0.438 nan 8.310 nan 0.000 0.492 245 E N 3.980 124.137 120.200 -0.071 0.000 2.482 245 E HA 0.033 4.388 4.350 0.008 0.000 0.196 245 E C 1.013 177.592 176.600 -0.034 0.000 1.047 245 E CA 0.454 56.822 56.400 -0.053 0.000 0.869 245 E CB 0.038 29.701 29.700 -0.062 0.000 0.836 245 E HN 0.677 nan 8.360 nan 0.000 0.520 246 L N -0.940 120.262 121.223 -0.034 0.000 2.616 246 L HA 0.247 4.591 4.340 0.008 0.000 0.229 246 L C 1.286 178.139 176.870 -0.029 0.000 1.110 246 L CA 0.400 55.224 54.840 -0.027 0.000 0.884 246 L CB 0.342 42.385 42.059 -0.026 0.000 1.115 246 L HN 0.162 nan 8.230 nan 0.000 0.481 247 G N 0.514 109.296 108.800 -0.030 0.000 2.144 247 G HA2 -0.247 3.718 3.960 0.008 0.000 0.218 247 G HA3 -0.247 3.718 3.960 0.008 0.000 0.218 247 G C 0.071 174.953 174.900 -0.030 0.000 0.988 247 G CA -0.072 45.012 45.100 -0.027 0.000 0.659 247 G HN 0.324 nan 8.290 nan 0.000 0.522 248 E N -0.055 120.125 120.200 -0.034 0.000 2.351 248 E HA 0.585 4.939 4.350 0.008 0.000 0.255 248 E C 1.047 177.627 176.600 -0.033 0.000 1.188 248 E CA -0.749 55.630 56.400 -0.036 0.000 0.940 248 E CB 0.312 29.988 29.700 -0.040 0.000 1.094 248 E HN 0.422 nan 8.360 nan 0.000 0.474 249 R N 1.799 122.280 120.500 -0.033 0.000 2.570 249 R HA 0.131 4.476 4.340 0.008 0.000 0.277 249 R C -2.131 174.148 176.300 -0.034 0.000 1.039 249 R CA -1.184 54.898 56.100 -0.031 0.000 1.065 249 R CB 0.042 30.323 30.300 -0.031 0.000 0.964 249 R HN 0.254 nan 8.270 nan 0.000 0.428 250 P HA 0.166 nan 4.420 nan 0.000 0.272 250 P C -1.056 176.218 177.300 -0.044 0.000 1.230 250 P CA -0.159 62.921 63.100 -0.033 0.000 0.788 250 P CB 0.676 32.362 31.700 -0.024 0.000 0.949 251 R N -0.175 120.291 120.500 -0.056 0.000 2.771 251 R HA 0.603 4.948 4.340 0.008 0.000 0.274 251 R C -0.813 175.411 176.300 -0.127 0.000 0.987 251 R CA -0.708 55.340 56.100 -0.086 0.000 0.908 251 R CB 1.764 32.007 30.300 -0.095 0.000 1.213 251 R HN 0.296 nan 8.270 nan 0.000 0.468 252 T N 2.952 117.413 114.554 -0.156 0.000 2.758 252 T HA 0.470 4.825 4.350 0.008 0.000 0.285 252 T C -0.224 174.271 174.700 -0.341 0.000 0.981 252 T CA -0.555 61.407 62.100 -0.231 0.000 0.965 252 T CB 0.544 69.319 68.868 -0.154 0.000 0.927 252 T HN 0.169 nan 8.240 nan 0.000 0.448 253 L N 2.670 123.505 121.223 -0.646 0.000 2.330 253 L HA 0.777 5.122 4.340 0.008 0.000 0.271 253 L C -0.589 175.827 176.870 -0.756 0.000 1.013 253 L CA -1.344 53.039 54.840 -0.762 0.000 0.816 253 L CB 1.900 43.309 42.059 -1.083 0.000 1.287 253 L HN 0.294 nan 8.230 nan 0.000 0.435 254 V N 1.730 121.406 119.914 -0.396 0.000 2.409 254 V HA 0.404 4.529 4.120 0.008 0.000 0.291 254 V C 0.123 176.195 176.094 -0.037 0.000 1.020 254 V CA -0.710 61.486 62.300 -0.173 0.000 0.848 254 V CB 1.591 33.361 31.823 -0.088 0.000 0.990 254 V HN 0.660 nan 8.190 nan 0.000 0.430 255 R N 2.070 122.651 120.500 0.134 0.000 2.543 255 R HA 0.520 4.865 4.340 0.008 0.000 0.277 255 R C 0.421 176.774 176.300 0.088 0.000 1.074 255 R CA 0.395 56.595 56.100 0.168 0.000 1.076 255 R CB 1.166 31.584 30.300 0.196 0.000 0.993 255 R HN 0.956 nan 8.270 nan 0.000 0.459 256 G N 3.240 112.084 108.800 0.074 0.000 3.075 256 G HA2 0.516 4.481 3.960 0.008 0.000 0.253 256 G HA3 0.516 4.481 3.960 0.008 0.000 0.253 256 G C -2.644 172.285 174.900 0.049 0.000 1.353 256 G CA -1.010 44.122 45.100 0.053 0.000 1.051 256 G HN 0.436 nan 8.290 nan 0.000 0.553 257 P HA 0.252 nan 4.420 nan 0.000 0.274 257 P C -0.010 177.296 177.300 0.010 0.000 1.237 257 P CA -0.317 62.797 63.100 0.023 0.000 0.793 257 P CB 1.094 32.807 31.700 0.021 0.000 0.977 258 V N 2.846 122.755 119.914 -0.009 0.000 2.655 258 V HA -0.045 4.080 4.120 0.008 0.000 0.300 258 V C 1.880 177.941 176.094 -0.054 0.000 1.044 258 V CA 0.584 62.858 62.300 -0.043 0.000 1.095 258 V CB -0.132 31.654 31.823 -0.061 0.000 0.952 258 V HN 0.452 nan 8.190 nan 0.000 0.485 259 L N 4.509 125.666 121.223 -0.111 0.000 2.316 259 L HA 0.336 4.681 4.340 0.008 0.000 0.207 259 L C 0.989 177.709 176.870 -0.249 0.000 1.070 259 L CA 0.557 55.308 54.840 -0.148 0.000 0.820 259 L CB -0.050 41.870 42.059 -0.231 0.000 0.992 259 L HN 0.812 nan 8.230 nan 0.000 0.466 260 R N -0.879 119.425 120.500 -0.326 0.000 2.774 260 R HA 0.248 4.593 4.340 0.008 0.000 0.279 260 R C -2.162 173.980 176.300 -0.264 0.000 1.022 260 R CA -0.694 55.214 56.100 -0.321 0.000 0.855 260 R CB 1.292 31.253 30.300 -0.564 0.000 1.279 260 R HN -0.209 nan 8.270 nan 0.000 0.485 261 D N 1.020 121.313 120.400 -0.178 0.000 2.476 261 D HA 0.153 4.797 4.640 0.008 0.000 0.251 261 D C -0.438 175.828 176.300 -0.056 0.000 1.291 261 D CA -0.386 53.557 54.000 -0.096 0.000 0.939 261 D CB 1.439 42.184 40.800 -0.092 0.000 1.221 261 D HN 0.570 nan 8.370 nan 0.000 0.567 262 D N 2.544 122.914 120.400 -0.051 0.000 2.328 262 D HA 0.172 4.817 4.640 0.008 0.000 0.226 262 D C 1.446 177.727 176.300 -0.031 0.000 1.066 262 D CA 0.559 54.527 54.000 -0.054 0.000 0.861 262 D CB 0.096 40.848 40.800 -0.079 0.000 0.912 262 D HN 0.633 nan 8.370 nan 0.000 0.521 263 G N -0.842 107.978 108.800 0.033 0.000 2.258 263 G HA2 -0.306 3.659 3.960 0.008 0.000 0.233 263 G HA3 -0.306 3.659 3.960 0.008 0.000 0.233 263 G C 1.265 175.955 174.900 -0.351 0.000 1.006 263 G CA 0.351 45.439 45.100 -0.021 0.000 0.620 263 G HN 0.384 nan 8.290 nan 0.000 0.511 264 S N -1.378 114.057 115.700 -0.441 0.000 2.619 264 S HA 0.467 4.942 4.470 0.008 0.000 0.238 264 S C -0.077 173.819 174.600 -1.172 0.000 1.068 264 S CA 0.241 57.878 58.200 -0.938 0.000 0.926 264 S CB 0.688 63.499 63.200 -0.648 0.000 0.864 264 S HN 0.472 nan 8.310 nan 0.000 0.493 265 Y N 0.627 120.851 120.300 -0.126 0.000 2.457 265 Y HA 0.564 5.120 4.550 0.010 0.000 0.343 265 Y C -0.535 175.417 175.900 0.087 0.000 0.994 265 Y CA -0.991 57.132 58.100 0.038 0.000 1.031 265 Y CB 0.962 39.415 38.460 -0.011 0.000 1.246 265 Y HN -0.034 nan 8.280 nan 0.000 0.449 266 I N 3.203 123.902 120.570 0.216 0.000 2.325 266 I HA 0.267 4.442 4.170 0.008 0.000 0.291 266 I C -0.714 175.355 176.117 -0.080 0.000 1.019 266 I CA -0.238 61.053 61.300 -0.015 0.000 1.302 266 I CB 0.402 38.337 38.000 -0.107 0.000 1.401 266 I HN 0.550 nan 8.210 nan 0.000 0.485 267 C N 7.640 126.795 119.300 -0.242 0.000 2.295 267 C HA 0.684 5.149 4.460 0.008 0.000 0.331 267 C C -0.005 174.880 174.990 -0.175 0.000 1.280 267 C CA -0.607 58.211 59.018 -0.334 0.000 1.746 267 C CB -0.098 27.220 27.740 -0.704 0.000 2.328 267 C HN 0.490 nan 8.230 nan 0.000 0.521 268 L N 2.224 123.423 121.223 -0.040 0.000 2.354 268 L HA 0.518 4.863 4.340 0.008 0.000 0.264 268 L C 0.143 177.047 176.870 0.056 0.000 1.008 268 L CA -0.446 54.397 54.840 0.005 0.000 0.819 268 L CB 0.691 42.775 42.059 0.041 0.000 1.339 268 L HN 0.561 nan 8.230 nan 0.000 0.420 269 E N 0.745 120.975 120.200 0.051 0.000 2.404 269 E HA 0.594 4.949 4.350 0.008 0.000 0.261 269 E C -0.649 175.994 176.600 0.072 0.000 1.074 269 E CA -0.172 56.268 56.400 0.067 0.000 0.917 269 E CB 1.096 30.828 29.700 0.054 0.000 0.965 269 E HN 0.670 nan 8.360 nan 0.000 0.433 270 A N 1.853 124.712 122.820 0.064 0.000 2.612 270 A HA 0.569 4.894 4.320 0.008 0.000 0.293 270 A C -1.036 176.549 177.584 0.002 0.000 1.075 270 A CA -0.720 51.340 52.037 0.038 0.000 0.680 270 A CB 2.115 21.152 19.000 0.062 0.000 1.279 270 A HN 0.440 nan 8.150 nan 0.000 0.411 271 T N 1.215 115.741 114.554 -0.047 0.000 2.848 271 T HA 0.410 4.765 4.350 0.008 0.000 0.285 271 T C -1.143 173.493 174.700 -0.107 0.000 0.995 271 T CA -0.380 61.687 62.100 -0.055 0.000 0.970 271 T CB 1.474 70.318 68.868 -0.040 0.000 0.976 271 T HN 0.652 nan 8.240 nan 0.000 0.441 272 D N 2.060 122.408 120.400 -0.086 0.000 2.358 272 D HA 0.018 4.663 4.640 0.008 0.000 0.258 272 D C 0.960 177.204 176.300 -0.093 0.000 1.223 272 D CA 0.274 54.211 54.000 -0.104 0.000 0.886 272 D CB 1.140 41.897 40.800 -0.072 0.000 1.120 272 D HN 0.558 nan 8.370 nan 0.000 0.482 273 Q N 2.554 122.283 119.800 -0.119 0.000 2.291 273 Q HA -0.161 4.184 4.340 0.008 0.000 0.205 273 Q C 0.854 176.815 176.000 -0.066 0.000 0.970 273 Q CA 1.185 56.932 55.803 -0.094 0.000 0.876 273 Q CB 0.448 29.119 28.738 -0.113 0.000 0.935 273 Q HN 0.490 nan 8.270 nan 0.000 0.455 274 E N -1.084 119.078 120.200 -0.064 0.000 2.057 274 E HA -0.093 4.262 4.350 0.008 0.000 0.190 274 E C 1.996 178.574 176.600 -0.037 0.000 0.969 274 E CA 1.715 58.087 56.400 -0.046 0.000 0.812 274 E CB 0.031 29.704 29.700 -0.045 0.000 0.777 274 E HN 0.432 nan 8.360 nan 0.000 0.455 275 T N -3.171 111.360 114.554 -0.038 0.000 2.896 275 T HA 0.123 4.478 4.350 0.008 0.000 0.263 275 T C 1.740 176.425 174.700 -0.024 0.000 1.050 275 T CA 0.905 62.988 62.100 -0.028 0.000 1.140 275 T CB 0.016 68.867 68.868 -0.027 0.000 0.877 275 T HN 0.320 nan 8.240 nan 0.000 0.457 276 G N 1.201 109.983 108.800 -0.030 0.000 2.175 276 G HA2 -0.255 3.710 3.960 0.008 0.000 0.244 276 G HA3 -0.255 3.710 3.960 0.008 0.000 0.244 276 G C -0.154 174.736 174.900 -0.017 0.000 0.982 276 G CA 0.211 45.297 45.100 -0.023 0.000 0.641 276 G HN 0.875 nan 8.290 nan 0.000 0.527 277 E N 2.164 122.352 120.200 -0.019 0.000 2.415 277 E HA 0.278 4.633 4.350 0.008 0.000 0.260 277 E C -1.849 174.747 176.600 -0.006 0.000 1.016 277 E CA -1.306 55.087 56.400 -0.011 0.000 0.924 277 E CB 0.672 30.364 29.700 -0.014 0.000 0.961 277 E HN 0.259 nan 8.360 nan 0.000 0.459 278 P HA 0.127 nan 4.420 nan 0.000 0.276 278 P C -0.817 176.502 177.300 0.030 0.000 1.235 278 P CA 0.200 63.311 63.100 0.019 0.000 0.772 278 P CB 0.793 32.509 31.700 0.026 0.000 0.871 279 L N 1.706 122.955 121.223 0.043 0.000 2.341 279 L HA 0.511 4.856 4.340 0.008 0.000 0.254 279 L C 0.447 177.382 176.870 0.109 0.000 1.040 279 L CA -0.970 53.912 54.840 0.069 0.000 0.837 279 L CB 2.163 44.258 42.059 0.061 0.000 1.425 279 L HN 0.253 nan 8.230 nan 0.000 0.414 280 E N 0.136 120.432 120.200 0.161 0.000 2.207 280 E HA 0.528 4.883 4.350 0.008 0.000 0.270 280 E C -1.461 175.322 176.600 0.305 0.000 0.927 280 E CA -0.767 55.770 56.400 0.229 0.000 0.799 280 E CB 2.951 32.832 29.700 0.303 0.000 1.172 280 E HN 0.120 nan 8.360 nan 0.000 0.404 281 V N 3.020 123.127 119.914 0.322 0.000 2.384 281 V HA 0.163 4.287 4.120 0.008 0.000 0.287 281 V C -0.580 175.791 176.094 0.461 0.000 1.020 281 V CA -0.508 62.020 62.300 0.379 0.000 0.850 281 V CB 1.001 32.949 31.823 0.210 0.000 0.987 281 V HN 0.644 nan 8.190 nan 0.000 0.436 282 H N 3.815 123.093 119.070 0.346 0.000 2.661 282 H HA 0.381 4.943 4.556 0.009 0.000 0.290 282 H C -0.727 174.862 175.328 0.436 0.000 1.082 282 H CA -0.645 55.587 56.048 0.308 0.000 1.234 282 H CB 1.709 31.623 29.762 0.253 0.000 1.387 282 H HN 0.400 nan 8.280 nan 0.000 0.476 283 V N 6.418 126.566 119.914 0.390 0.000 2.385 283 V HA 0.125 4.250 4.120 0.008 0.000 0.269 283 V C -2.051 174.269 176.094 0.377 0.000 1.043 283 V CA -1.811 60.679 62.300 0.316 0.000 0.906 283 V CB 0.845 32.707 31.823 0.064 0.000 0.995 283 V HN 0.595 nan 8.190 nan 0.000 0.467 284 P HA 0.309 nan 4.420 nan 0.000 0.276 284 P C -1.231 176.055 177.300 -0.024 0.000 1.230 284 P CA 0.090 63.180 63.100 -0.015 0.000 0.776 284 P CB 0.325 32.087 31.700 0.104 0.000 0.888 285 Y N 0.862 120.884 120.300 -0.463 0.000 2.638 285 Y HA 0.833 5.387 4.550 0.008 0.000 0.339 285 Y C -1.649 173.868 175.900 -0.638 0.000 1.084 285 Y CA -1.462 56.475 58.100 -0.272 0.000 1.068 285 Y CB 1.186 39.561 38.460 -0.141 0.000 1.294 285 Y HN 0.156 nan 8.280 nan 0.000 0.480 286 F N -0.662 119.360 119.950 0.119 0.000 2.631 286 F HA 0.435 4.967 4.527 0.008 0.000 0.308 286 F C 0.734 176.689 175.800 0.258 0.000 1.097 286 F CA -0.450 57.567 58.000 0.029 0.000 0.952 286 F CB 2.660 41.651 39.000 -0.016 0.000 1.307 286 F HN 0.702 nan 8.300 nan 0.000 0.450 287 T N -3.487 111.275 114.554 0.347 0.000 3.051 287 T HA 0.212 4.567 4.350 0.008 0.000 0.255 287 T C 0.232 175.142 174.700 0.350 0.000 1.085 287 T CA 0.308 62.603 62.100 0.324 0.000 1.109 287 T CB 0.019 69.007 68.868 0.200 0.000 0.921 287 T HN 0.439 nan 8.240 nan 0.000 0.488 288 E N 1.990 122.314 120.200 0.208 0.000 2.303 288 E HA 0.441 4.796 4.350 0.008 0.000 0.254 288 E C -0.289 175.992 176.600 -0.530 0.000 0.979 288 E CA -1.053 55.326 56.400 -0.034 0.000 0.843 288 E CB 1.137 30.778 29.700 -0.098 0.000 1.245 288 E HN 0.524 nan 8.360 nan 0.000 0.413 289 R N -0.116 119.584 120.500 -1.333 0.000 2.679 289 R HA 0.278 4.623 4.340 0.008 0.000 0.268 289 R C -2.324 173.411 176.300 -0.942 0.000 1.044 289 R CA -1.011 53.995 56.100 -1.824 0.000 1.105 289 R CB -0.897 28.443 30.300 -1.600 0.000 0.989 289 R HN 0.085 nan 8.270 nan 0.000 0.447 290 P HA 0.146 nan 4.420 nan 0.000 0.272 290 P C -2.302 174.610 177.300 -0.648 0.000 1.223 290 P CA -1.204 61.262 63.100 -1.057 0.000 0.784 290 P CB 0.111 31.148 31.700 -1.104 0.000 0.923 291 P HA 0.003 nan 4.420 nan 0.000 0.272 291 P C 0.949 178.100 177.300 -0.248 0.000 1.230 291 P CA 0.036 62.952 63.100 -0.307 0.000 0.788 291 P CB 0.617 32.191 31.700 -0.210 0.000 0.949 292 S N 1.623 117.222 115.700 -0.169 0.000 2.368 292 S HA -0.228 4.247 4.470 0.008 0.000 0.226 292 S C 1.428 175.970 174.600 -0.098 0.000 1.044 292 S CA 2.117 60.244 58.200 -0.122 0.000 1.062 292 S CB -1.231 61.917 63.200 -0.088 0.000 0.931 292 S HN 0.781 nan 8.310 nan 0.000 0.440 293 N N 0.417 119.069 118.700 -0.079 0.000 2.501 293 N HA 0.235 4.980 4.740 0.008 0.000 0.195 293 N C 1.531 177.022 175.510 -0.032 0.000 1.213 293 N CA 0.608 53.631 53.050 -0.045 0.000 0.864 293 N CB -0.056 38.416 38.487 -0.025 0.000 0.999 293 N HN 0.413 nan 8.380 nan 0.000 0.454 294 A N 1.953 124.726 122.820 -0.079 0.000 1.884 294 A HA -0.200 4.124 4.320 0.008 0.000 0.219 294 A C 2.135 179.750 177.584 0.052 0.000 1.197 294 A CA 1.344 53.355 52.037 -0.043 0.000 0.637 294 A CB -0.706 18.163 19.000 -0.219 0.000 0.827 294 A HN 0.433 nan 8.150 nan 0.000 0.450 295 I N -1.072 119.509 120.570 0.018 0.000 2.286 295 I HA -0.203 3.971 4.170 0.008 0.000 0.245 295 I C 2.575 178.711 176.117 0.032 0.000 1.104 295 I CA 1.569 62.888 61.300 0.031 0.000 1.397 295 I CB -0.296 37.709 38.000 0.008 0.000 1.072 295 I HN 0.401 nan 8.210 nan 0.000 0.417 296 K N 0.697 121.109 120.400 0.021 0.000 2.032 296 K HA -0.243 4.082 4.320 0.008 0.000 0.209 296 K C 2.180 178.811 176.600 0.051 0.000 1.048 296 K CA 1.466 57.768 56.287 0.025 0.000 0.927 296 K CB -0.009 32.497 32.500 0.010 0.000 0.712 296 K HN 0.224 nan 8.250 nan 0.000 0.441 297 Q N 0.733 120.572 119.800 0.064 0.000 2.181 297 Q HA -0.152 4.193 4.340 0.008 0.000 0.205 297 Q C 2.204 178.295 176.000 0.152 0.000 0.980 297 Q CA 1.090 56.946 55.803 0.089 0.000 0.862 297 Q CB -0.269 28.525 28.738 0.092 0.000 0.905 297 Q HN 0.432 nan 8.270 nan 0.000 0.429 298 L N 0.132 121.471 121.223 0.194 0.000 2.081 298 L HA -0.229 4.116 4.340 0.008 0.000 0.212 298 L C 2.339 179.429 176.870 0.366 0.000 1.080 298 L CA 1.187 56.228 54.840 0.335 0.000 0.754 298 L CB -0.551 41.577 42.059 0.115 0.000 0.893 298 L HN 0.094 nan 8.230 nan 0.000 0.433 299 S N -0.698 115.118 115.700 0.194 0.000 2.419 299 S HA -0.139 4.336 4.470 0.008 0.000 0.233 299 S C 1.765 176.439 174.600 0.124 0.000 1.016 299 S CA 0.877 59.168 58.200 0.151 0.000 0.974 299 S CB -0.202 63.044 63.200 0.076 0.000 0.786 299 S HN 0.413 nan 8.310 nan 0.000 0.492 300 E N 1.586 121.847 120.200 0.102 0.000 2.204 300 E HA -0.144 4.211 4.350 0.008 0.000 0.195 300 E C 1.885 178.520 176.600 0.060 0.000 0.990 300 E CA 0.796 57.227 56.400 0.051 0.000 0.821 300 E CB -0.298 29.401 29.700 -0.003 0.000 0.750 300 E HN 0.678 nan 8.360 nan 0.000 0.477 301 Q N -0.065 119.785 119.800 0.083 0.000 2.369 301 Q HA -0.026 4.319 4.340 0.008 0.000 0.206 301 Q C 1.964 178.021 176.000 0.095 0.000 0.963 301 Q CA 0.782 56.589 55.803 0.006 0.000 0.894 301 Q CB 0.390 28.994 28.738 -0.224 0.000 0.965 301 Q HN 0.136 nan 8.270 nan 0.000 0.475 302 V N -0.174 119.816 119.914 0.126 0.000 2.806 302 V HA -0.072 4.053 4.120 0.008 0.000 0.239 302 V C 1.859 177.982 176.094 0.048 0.000 1.113 302 V CA 0.516 62.887 62.300 0.118 0.000 1.137 302 V CB -0.124 31.744 31.823 0.074 0.000 0.865 302 V HN 0.206 nan 8.190 nan 0.000 0.482 303 L N 0.151 121.397 121.223 0.038 0.000 2.275 303 L HA -0.062 4.283 4.340 0.008 0.000 0.215 303 L C 2.448 179.300 176.870 -0.029 0.000 1.119 303 L CA 1.324 56.156 54.840 -0.013 0.000 0.790 303 L CB -0.557 41.505 42.059 0.005 0.000 0.919 303 L HN 0.253 nan 8.230 nan 0.000 0.443 304 R N -0.269 120.253 120.500 0.037 0.000 2.323 304 R HA -0.056 4.289 4.340 0.008 0.000 0.198 304 R C 1.998 178.289 176.300 -0.016 0.000 0.988 304 R CA 0.240 56.374 56.100 0.057 0.000 1.041 304 R CB -0.239 30.142 30.300 0.135 0.000 0.926 304 R HN 0.202 nan 8.270 nan 0.000 0.476 305 L N 2.448 123.504 121.223 -0.277 0.000 2.127 305 L HA -0.222 4.123 4.340 0.008 0.000 0.211 305 L C 2.421 179.091 176.870 -0.333 0.000 1.089 305 L CA 1.714 56.143 54.840 -0.685 0.000 0.757 305 L CB -0.500 40.874 42.059 -1.141 0.000 0.899 305 L HN 0.142 nan 8.230 nan 0.000 0.434 306 R N -0.582 119.799 120.500 -0.198 0.000 2.170 306 R HA -0.176 4.169 4.340 0.008 0.000 0.242 306 R C 1.923 178.187 176.300 -0.060 0.000 1.145 306 R CA 1.867 57.900 56.100 -0.112 0.000 0.984 306 R CB -1.013 29.244 30.300 -0.072 0.000 0.869 306 R HN 0.467 nan 8.270 nan 0.000 0.455 307 L N 1.118 122.319 121.223 -0.037 0.000 2.362 307 L HA 0.037 4.382 4.340 0.008 0.000 0.219 307 L C 0.720 177.610 176.870 0.032 0.000 1.134 307 L CA 0.364 55.218 54.840 0.022 0.000 0.807 307 L CB -0.206 41.890 42.059 0.062 0.000 0.927 307 L HN 0.171 nan 8.230 nan 0.000 0.447 308 L N 1.827 123.009 121.223 -0.069 0.000 2.356 308 L HA 0.177 4.522 4.340 0.008 0.000 0.282 308 L C 0.697 177.550 176.870 -0.028 0.000 1.132 308 L CA -0.285 54.438 54.840 -0.195 0.000 0.923 308 L CB 0.061 41.864 42.059 -0.425 0.000 1.278 308 L HN 0.212 nan 8.230 nan 0.000 0.436 309 R N 2.021 122.624 120.500 0.172 0.000 2.442 309 R HA 0.522 4.867 4.340 0.008 0.000 0.291 309 R C 0.878 177.301 176.300 0.206 0.000 1.069 309 R CA 0.482 56.672 56.100 0.149 0.000 1.022 309 R CB 0.747 31.124 30.300 0.127 0.000 0.976 309 R HN 0.680 nan 8.270 nan 0.000 0.443 310 G N 3.136 112.005 108.800 0.116 0.000 2.258 310 G HA2 -0.204 3.761 3.960 0.008 0.000 0.233 310 G HA3 -0.204 3.761 3.960 0.008 0.000 0.233 310 G C 0.002 174.963 174.900 0.102 0.000 1.006 310 G CA -0.028 45.142 45.100 0.117 0.000 0.620 310 G HN 0.532 nan 8.290 nan 0.000 0.511 311 I N 2.025 122.631 120.570 0.060 0.000 2.301 311 I HA 0.265 4.440 4.170 0.008 0.000 0.292 311 I C 1.471 177.560 176.117 -0.046 0.000 1.046 311 I CA -0.113 61.195 61.300 0.013 0.000 1.282 311 I CB 1.012 38.958 38.000 -0.091 0.000 1.409 311 I HN 0.148 nan 8.210 nan 0.000 0.484 312 K N 4.483 124.872 120.400 -0.019 0.000 2.057 312 K HA -0.132 4.193 4.320 0.008 0.000 0.207 312 K C 0.276 176.816 176.600 -0.100 0.000 1.049 312 K CA 1.269 57.529 56.287 -0.044 0.000 0.931 312 K CB 0.106 32.598 32.500 -0.014 0.000 0.714 312 K HN 0.811 nan 8.250 nan 0.000 0.440 313 N N -2.576 116.042 118.700 -0.137 0.000 3.339 313 N HA -0.001 4.743 4.740 0.008 0.000 0.275 313 N C -0.118 175.264 175.510 -0.213 0.000 1.514 313 N CA -0.641 52.304 53.050 -0.176 0.000 0.879 313 N CB 0.340 38.752 38.487 -0.125 0.000 1.557 313 N HN -0.332 nan 8.380 nan 0.000 0.524 314 Q N -0.571 119.110 119.800 -0.198 0.000 2.135 314 Q HA 0.079 4.424 4.340 0.008 0.000 0.204 314 Q C 1.620 177.558 176.000 -0.103 0.000 0.981 314 Q CA 1.437 57.155 55.803 -0.142 0.000 0.856 314 Q CB -0.116 28.564 28.738 -0.098 0.000 0.902 314 Q HN 0.417 nan 8.270 nan 0.000 0.425 315 R N 0.738 121.161 120.500 -0.129 0.000 2.083 315 R HA -0.137 4.207 4.340 0.008 0.000 0.237 315 R C 1.999 178.139 176.300 -0.267 0.000 1.137 315 R CA 1.771 57.780 56.100 -0.151 0.000 0.951 315 R CB -0.241 29.978 30.300 -0.134 0.000 0.851 315 R HN 0.493 nan 8.270 nan 0.000 0.434 316 Q N -0.802 118.801 119.800 -0.329 0.000 2.119 316 Q HA -0.042 4.302 4.340 0.008 0.000 0.201 316 Q C 2.080 177.828 176.000 -0.420 0.000 0.972 316 Q CA 1.361 56.804 55.803 -0.599 0.000 0.847 316 Q CB -0.092 28.451 28.738 -0.326 0.000 0.903 316 Q HN 0.347 nan 8.270 nan 0.000 0.433 317 A N 1.797 124.507 122.820 -0.184 0.000 1.883 317 A HA -0.256 4.069 4.320 0.008 0.000 0.217 317 A C 2.037 179.647 177.584 0.044 0.000 1.186 317 A CA 1.825 53.842 52.037 -0.033 0.000 0.624 317 A CB -0.433 18.613 19.000 0.077 0.000 0.822 317 A HN 0.229 nan 8.150 nan 0.000 0.444 318 K N -0.546 119.881 120.400 0.045 0.000 2.025 318 K HA -0.012 4.313 4.320 0.008 0.000 0.207 318 K C 2.198 178.836 176.600 0.063 0.000 1.049 318 K CA 1.167 57.543 56.287 0.147 0.000 0.933 318 K CB -0.342 32.218 32.500 0.100 0.000 0.714 318 K HN 0.338 nan 8.250 nan 0.000 0.438 319 A N 0.285 122.982 122.820 -0.206 0.000 1.877 319 A HA -0.146 4.179 4.320 0.008 0.000 0.216 319 A C 1.850 179.245 177.584 -0.315 0.000 1.186 319 A CA 1.353 53.142 52.037 -0.413 0.000 0.620 319 A CB -0.716 17.767 19.000 -0.861 0.000 0.822 319 A HN 0.422 nan 8.150 nan 0.000 0.443 320 Y N -0.852 119.322 120.300 -0.210 0.000 2.347 320 Y HA 0.243 4.798 4.550 0.007 0.000 0.294 320 Y C 1.852 177.686 175.900 -0.109 0.000 1.117 320 Y CA 0.385 58.404 58.100 -0.135 0.000 1.184 320 Y CB -0.346 38.056 38.460 -0.097 0.000 1.047 320 Y HN 0.139 nan 8.280 nan 0.000 0.546 321 L N -0.916 120.293 121.223 -0.023 0.000 2.731 321 L HA 0.230 4.575 4.340 0.008 0.000 0.240 321 L C 0.361 177.157 176.870 -0.123 0.000 1.120 321 L CA 0.012 54.693 54.840 -0.264 0.000 0.913 321 L CB 0.143 41.729 42.059 -0.788 0.000 1.213 321 L HN -0.057 nan 8.230 nan 0.000 0.515 322 R N 0.408 120.964 120.500 0.093 0.000 3.416 322 R HA -0.187 4.158 4.340 0.008 0.000 0.263 322 R C -1.037 175.675 176.300 0.686 0.000 1.053 322 R CA 0.575 56.852 56.100 0.296 0.000 0.705 322 R CB -2.245 27.954 30.300 -0.167 0.000 1.124 322 R HN 0.091 nan 8.270 nan 0.000 0.444 323 F N 0.924 121.077 119.950 0.340 0.000 2.415 323 F HA 0.416 4.948 4.527 0.008 0.000 0.348 323 F C 1.029 177.014 175.800 0.308 0.000 1.119 323 F CA -1.943 56.275 58.000 0.363 0.000 1.069 323 F CB 0.998 40.130 39.000 0.221 0.000 1.124 323 F HN -0.117 nan 8.300 nan 0.000 0.472 324 I N 5.682 126.529 120.570 0.461 0.000 2.330 324 I HA 0.223 4.398 4.170 0.008 0.000 0.286 324 I C -0.362 175.823 176.117 0.114 0.000 1.025 324 I CA -0.473 60.984 61.300 0.263 0.000 1.197 324 I CB 0.001 38.119 38.000 0.196 0.000 1.358 324 I HN 0.302 nan 8.210 nan 0.000 0.467 325 F N 6.684 126.653 119.950 0.031 0.000 2.403 325 F HA 0.474 5.005 4.527 0.007 0.000 0.326 325 F C -1.774 173.789 175.800 -0.396 0.000 1.081 325 F CA -2.379 55.550 58.000 -0.118 0.000 1.041 325 F CB 0.474 39.368 39.000 -0.176 0.000 1.234 325 F HN 0.264 nan 8.300 nan 0.000 0.503 326 P HA 0.062 nan 4.420 nan 0.000 0.264 326 P C 0.824 177.910 177.300 -0.358 0.000 1.183 326 P CA 0.458 63.038 63.100 -0.866 0.000 0.763 326 P CB 0.496 31.809 31.700 -0.644 0.000 0.807 327 I N 0.379 120.758 120.570 -0.318 0.000 2.335 327 I HA -0.158 4.017 4.170 0.008 0.000 0.251 327 I C 0.866 176.928 176.117 -0.091 0.000 1.129 327 I CA 1.780 62.992 61.300 -0.147 0.000 1.402 327 I CB -0.110 37.830 38.000 -0.100 0.000 1.069 327 I HN 0.415 nan 8.210 nan 0.000 0.424 328 D N -1.073 119.289 120.400 -0.062 0.000 2.683 328 D HA 0.312 4.957 4.640 0.008 0.000 0.246 328 D C -1.795 174.544 176.300 0.065 0.000 1.238 328 D CA -0.592 53.401 54.000 -0.012 0.000 0.759 328 D CB 1.756 42.540 40.800 -0.027 0.000 1.349 328 D HN -0.229 nan 8.370 nan 0.000 0.426 329 L N 2.943 124.186 121.223 0.034 0.000 2.316 329 L HA 0.701 5.046 4.340 0.008 0.000 0.280 329 L C -0.970 175.804 176.870 -0.160 0.000 1.006 329 L CA -0.564 54.252 54.840 -0.040 0.000 0.836 329 L CB 0.922 42.991 42.059 0.017 0.000 1.221 329 L HN 0.291 nan 8.230 nan 0.000 0.418 330 V N 2.486 122.207 119.914 -0.321 0.000 3.126 330 V HA 0.813 4.938 4.120 0.008 0.000 0.314 330 V C -0.835 174.931 176.094 -0.547 0.000 1.138 330 V CA -0.801 61.277 62.300 -0.370 0.000 1.034 330 V CB 1.943 33.572 31.823 -0.325 0.000 1.075 330 V HN 0.888 nan 8.190 nan 0.000 0.442 331 K N 0.187 120.389 120.400 -0.330 0.000 2.395 331 K HA 0.596 4.921 4.320 0.008 0.000 0.247 331 K C -1.315 175.296 176.600 0.019 0.000 0.973 331 K CA -0.647 55.520 56.287 -0.200 0.000 0.828 331 K CB 2.303 34.766 32.500 -0.062 0.000 1.272 331 K HN 0.653 nan 8.250 nan 0.000 0.439 332 D N 2.754 123.314 120.400 0.267 0.000 2.347 332 D HA 0.156 4.801 4.640 0.008 0.000 0.235 332 D C -1.518 174.905 176.300 0.204 0.000 1.149 332 D CA -2.451 51.771 54.000 0.369 0.000 0.850 332 D CB 1.450 42.611 40.800 0.600 0.000 1.061 332 D HN 0.348 nan 8.370 nan 0.000 0.487 333 P HA -0.065 nan 4.420 nan 0.000 0.230 333 P C 0.623 177.976 177.300 0.088 0.000 1.158 333 P CA 0.601 63.756 63.100 0.092 0.000 0.769 333 P CB 0.423 32.164 31.700 0.069 0.000 0.807 334 K N -0.691 119.779 120.400 0.116 0.000 2.459 334 K HA 0.053 4.378 4.320 0.008 0.000 0.193 334 K C 0.725 177.366 176.600 0.070 0.000 1.030 334 K CA 0.463 56.805 56.287 0.093 0.000 1.026 334 K CB 0.142 32.711 32.500 0.115 0.000 0.809 334 K HN 0.110 nan 8.250 nan 0.000 0.504 335 K N 1.352 121.798 120.400 0.077 0.000 2.156 335 K HA 0.279 4.604 4.320 0.008 0.000 0.250 335 K C -0.081 176.538 176.600 0.032 0.000 0.955 335 K CA -0.603 55.706 56.287 0.037 0.000 0.855 335 K CB 1.437 33.954 32.500 0.028 0.000 1.101 335 K HN -0.048 nan 8.250 nan 0.000 0.434 336 R N 1.417 121.924 120.500 0.011 0.000 2.698 336 R HA -0.027 4.318 4.340 0.008 0.000 0.266 336 R C 1.482 177.802 176.300 0.034 0.000 1.026 336 R CA 0.359 56.471 56.100 0.019 0.000 1.102 336 R CB 0.441 30.747 30.300 0.011 0.000 0.978 336 R HN 0.472 nan 8.270 nan 0.000 0.436 337 K N 1.770 122.194 120.400 0.039 0.000 2.032 337 K HA -0.137 4.188 4.320 0.008 0.000 0.209 337 K C 0.458 177.101 176.600 0.070 0.000 1.048 337 K CA 1.580 57.896 56.287 0.048 0.000 0.927 337 K CB 0.018 32.536 32.500 0.031 0.000 0.712 337 K HN 0.497 nan 8.250 nan 0.000 0.441 338 M N 1.054 120.703 119.600 0.082 0.000 2.253 338 M HA 0.379 4.864 4.480 0.008 0.000 0.314 338 M C -0.950 175.441 176.300 0.151 0.000 1.019 338 M CA -0.334 55.054 55.300 0.148 0.000 0.932 338 M CB 2.179 34.877 32.600 0.163 0.000 1.606 338 M HN -0.093 nan 8.290 nan 0.000 0.430 339 I N 2.715 123.355 120.570 0.117 0.000 2.410 339 I HA 0.441 4.616 4.170 0.008 0.000 0.286 339 I C -0.037 175.980 176.117 -0.166 0.000 1.009 339 I CA -0.620 60.665 61.300 -0.024 0.000 1.111 339 I CB 1.676 39.624 38.000 -0.086 0.000 1.262 339 I HN 0.657 nan 8.210 nan 0.000 0.443 340 R N 5.263 125.557 120.500 -0.343 0.000 2.438 340 R HA 0.602 4.947 4.340 0.008 0.000 0.287 340 R C -1.277 174.769 176.300 -0.423 0.000 1.077 340 R CA -0.182 55.502 56.100 -0.694 0.000 1.034 340 R CB 0.952 30.813 30.300 -0.733 0.000 0.993 340 R HN 0.461 nan 8.270 nan 0.000 0.459 341 V N 4.458 124.123 119.914 -0.415 0.000 2.686 341 V HA 0.318 4.443 4.120 0.008 0.000 0.306 341 V C -0.622 175.338 176.094 -0.223 0.000 1.065 341 V CA -0.991 61.149 62.300 -0.267 0.000 0.894 341 V CB 1.831 33.522 31.823 -0.220 0.000 1.004 341 V HN 0.687 nan 8.190 nan 0.000 0.424 342 R N 3.579 123.991 120.500 -0.147 0.000 2.221 342 R HA 0.601 4.946 4.340 0.008 0.000 0.327 342 R C -1.192 175.109 176.300 0.001 0.000 1.033 342 R CA -0.235 55.813 56.100 -0.086 0.000 0.887 342 R CB 0.873 31.132 30.300 -0.069 0.000 1.057 342 R HN 0.605 nan 8.270 nan 0.000 0.455 343 L N 5.899 127.114 121.223 -0.012 0.000 2.337 343 L HA 0.390 4.735 4.340 0.008 0.000 0.269 343 L C -0.568 176.275 176.870 -0.045 0.000 1.018 343 L CA 0.365 55.203 54.840 -0.005 0.000 0.876 343 L CB 0.490 42.547 42.059 -0.004 0.000 1.236 343 L HN 0.941 nan 8.230 nan 0.000 0.436 344 D N 1.865 122.226 120.400 -0.066 0.000 4.454 344 D HA -0.328 4.317 4.640 0.008 0.000 0.140 344 D C 0.753 177.031 176.300 -0.037 0.000 0.720 344 D CA 1.986 55.950 54.000 -0.060 0.000 1.158 344 D CB -0.195 40.568 40.800 -0.062 0.000 0.598 344 D HN 0.652 nan 8.370 nan 0.000 0.553 345 E N 0.996 121.180 120.200 -0.026 0.000 2.166 345 E HA 0.122 4.477 4.350 0.008 0.000 0.192 345 E C 0.729 177.324 176.600 -0.009 0.000 0.967 345 E CA 0.104 56.495 56.400 -0.014 0.000 0.840 345 E CB 0.227 29.923 29.700 -0.006 0.000 0.795 345 E HN 0.168 nan 8.360 nan 0.000 0.470 346 R N 1.699 122.197 120.500 -0.005 0.000 2.697 346 R HA 0.008 4.353 4.340 0.008 0.000 0.265 346 R C -0.552 175.739 176.300 -0.016 0.000 1.009 346 R CA 0.550 56.655 56.100 0.010 0.000 1.099 346 R CB 0.244 30.554 30.300 0.017 0.000 0.965 346 R HN 0.065 nan 8.270 nan 0.000 0.428 347 D N 2.132 122.531 120.400 -0.003 0.000 2.408 347 D HA 0.244 4.888 4.640 0.008 0.000 0.243 347 D C -0.625 175.634 176.300 -0.068 0.000 1.075 347 D CA -0.436 53.493 54.000 -0.117 0.000 0.832 347 D CB 1.621 42.321 40.800 -0.167 0.000 1.162 347 D HN 0.120 nan 8.370 nan 0.000 0.515 348 M N 1.763 121.264 119.600 -0.165 0.000 2.598 348 M HA 0.453 4.938 4.480 0.008 0.000 0.317 348 M C -1.275 174.963 176.300 -0.103 0.000 1.179 348 M CA -0.481 54.843 55.300 0.040 0.000 0.936 348 M CB 2.332 34.954 32.600 0.037 0.000 1.713 348 M HN 0.209 nan 8.290 nan 0.000 0.460 349 W N 2.850 124.228 121.300 0.130 0.000 2.573 349 W HA 0.710 5.374 4.660 0.008 0.000 0.326 349 W C -1.424 175.206 176.519 0.186 0.000 1.049 349 W CA -0.793 56.628 57.345 0.126 0.000 1.220 349 W CB 1.746 31.279 29.460 0.121 0.000 1.373 349 W HN 0.244 nan 8.180 nan 0.000 0.507 350 V N 4.731 124.811 119.914 0.277 0.000 2.588 350 V HA 0.389 4.514 4.120 0.008 0.000 0.304 350 V C 0.078 176.284 176.094 0.187 0.000 1.042 350 V CA -0.916 61.499 62.300 0.192 0.000 0.877 350 V CB 1.976 33.799 31.823 -0.000 0.000 0.996 350 V HN 0.304 nan 8.190 nan 0.000 0.425 351 L N 3.261 124.618 121.223 0.224 0.000 2.350 351 L HA 0.390 4.735 4.340 0.008 0.000 0.275 351 L C 1.206 178.182 176.870 0.177 0.000 1.099 351 L CA -0.182 54.779 54.840 0.201 0.000 0.808 351 L CB 1.715 43.920 42.059 0.244 0.000 1.149 351 L HN 0.841 nan 8.230 nan 0.000 0.442 352 S N 0.314 116.114 115.700 0.167 0.000 2.577 352 S HA 0.195 4.670 4.470 0.008 0.000 0.219 352 S C 0.485 175.286 174.600 0.336 0.000 0.962 352 S CA -0.499 57.853 58.200 0.253 0.000 0.921 352 S CB -0.075 63.206 63.200 0.136 0.000 0.789 352 S HN 0.509 nan 8.310 nan 0.000 0.497 353 R N 1.652 122.275 120.500 0.205 0.000 2.338 353 R HA 0.737 5.082 4.340 0.008 0.000 0.317 353 R C -0.673 175.660 176.300 0.055 0.000 0.968 353 R CA -0.747 55.344 56.100 -0.015 0.000 0.849 353 R CB 0.593 30.863 30.300 -0.050 0.000 1.128 353 R HN 0.496 nan 8.270 nan 0.000 0.448 354 F N -0.559 119.340 119.950 -0.084 0.000 2.779 354 F HA 0.636 5.167 4.527 0.007 0.000 0.316 354 F C -1.324 174.355 175.800 -0.201 0.000 1.164 354 F CA -1.670 56.260 58.000 -0.116 0.000 0.924 354 F CB 0.903 40.002 39.000 0.165 0.000 1.348 354 F HN 0.123 nan 8.300 nan 0.000 0.467 355 F N 1.681 121.908 119.950 0.463 0.000 2.425 355 F HA 0.672 5.203 4.527 0.007 0.000 0.331 355 F C -0.487 175.500 175.800 0.311 0.000 1.085 355 F CA -0.962 57.188 58.000 0.250 0.000 1.028 355 F CB 1.380 40.507 39.000 0.212 0.000 1.177 355 F HN 0.182 nan 8.300 nan 0.000 0.487 356 L N 3.001 124.407 121.223 0.305 0.000 2.295 356 L HA 0.437 4.781 4.340 0.008 0.000 0.285 356 L C -0.982 175.870 176.870 -0.030 0.000 1.035 356 L CA -1.009 53.942 54.840 0.185 0.000 0.806 356 L CB 0.551 42.669 42.059 0.099 0.000 1.214 356 L HN 0.472 nan 8.230 nan 0.000 0.426 357 Y N 3.288 123.545 120.300 -0.072 0.000 2.581 357 Y HA 0.549 5.104 4.550 0.008 0.000 0.345 357 Y C -2.115 173.740 175.900 -0.074 0.000 1.036 357 Y CA -1.931 56.067 58.100 -0.170 0.000 1.042 357 Y CB 2.281 40.467 38.460 -0.457 0.000 1.289 357 Y HN 0.466 nan 8.280 nan 0.000 0.471 358 P HA 0.099 nan 4.420 nan 0.000 0.272 358 P C -0.778 176.572 177.300 0.084 0.000 1.223 358 P CA -0.324 62.804 63.100 0.048 0.000 0.784 358 P CB 0.733 32.412 31.700 -0.036 0.000 0.923 359 R N 2.549 123.090 120.500 0.069 0.000 2.421 359 R HA 0.257 4.602 4.340 0.008 0.000 0.305 359 R C 0.374 176.731 176.300 0.096 0.000 1.039 359 R CA 0.290 56.452 56.100 0.102 0.000 1.003 359 R CB -0.214 30.136 30.300 0.084 0.000 0.959 359 R HN 0.541 nan 8.270 nan 0.000 0.427 360 M N 2.410 122.126 119.600 0.193 0.000 2.598 360 M HA 0.223 4.708 4.480 0.008 0.000 0.317 360 M C 0.930 177.403 176.300 0.287 0.000 1.179 360 M CA -0.753 54.677 55.300 0.217 0.000 0.936 360 M CB 1.977 34.750 32.600 0.289 0.000 1.713 360 M HN 0.301 nan 8.290 nan 0.000 0.460 361 Q N 0.024 119.802 119.800 -0.036 0.000 2.394 361 Q HA 0.292 4.637 4.340 0.008 0.000 0.218 361 Q C 0.404 175.673 176.000 -1.219 0.000 0.907 361 Q CA 0.404 55.971 55.803 -0.394 0.000 0.919 361 Q CB 0.991 29.490 28.738 -0.397 0.000 1.051 361 Q HN 0.738 nan 8.270 nan 0.000 0.538 362 S N 0.052 115.046 115.700 -1.176 0.000 2.703 362 S HA 0.488 4.963 4.470 0.008 0.000 0.273 362 S C -1.739 172.374 174.600 -0.811 0.000 1.178 362 S CA -0.590 56.667 58.200 -1.571 0.000 0.838 362 S CB 0.827 63.571 63.200 -0.759 0.000 1.178 362 S HN 0.347 nan 8.310 nan 0.000 0.494 363 N N 0.387 118.850 118.700 -0.396 0.000 2.453 363 N HA 0.446 5.191 4.740 0.008 0.000 0.290 363 N C 0.118 175.646 175.510 0.030 0.000 1.250 363 N CA -0.840 52.207 53.050 -0.005 0.000 0.815 363 N CB 0.267 38.872 38.487 0.196 0.000 1.381 363 N HN 0.407 nan 8.380 nan 0.000 0.510 364 L N -0.057 121.198 121.223 0.054 0.000 2.313 364 L HA 0.043 4.388 4.340 0.008 0.000 0.214 364 L C 1.943 178.916 176.870 0.171 0.000 1.119 364 L CA 1.527 56.419 54.840 0.088 0.000 0.809 364 L CB -1.345 40.742 42.059 0.047 0.000 0.933 364 L HN 0.838 nan 8.230 nan 0.000 0.449 365 H N -0.139 118.926 119.070 -0.009 0.000 2.270 365 H HA -0.151 4.410 4.556 0.008 0.000 0.299 365 H C 2.230 177.754 175.328 0.325 0.000 1.077 365 H CA 2.588 58.627 56.048 -0.016 0.000 1.294 365 H CB 0.115 29.774 29.762 -0.171 0.000 1.371 365 H HN 0.363 nan 8.280 nan 0.000 0.491 366 I N 0.476 121.231 120.570 0.308 0.000 2.163 366 I HA -0.290 3.885 4.170 0.008 0.000 0.243 366 I C 2.759 178.963 176.117 0.145 0.000 1.085 366 I CA 0.842 62.276 61.300 0.223 0.000 1.347 366 I CB -0.289 37.809 38.000 0.163 0.000 1.044 366 I HN 0.207 nan 8.210 nan 0.000 0.408 367 L N 1.301 122.594 121.223 0.117 0.000 2.046 367 L HA -0.081 4.264 4.340 0.008 0.000 0.208 367 L C 2.364 179.275 176.870 0.068 0.000 1.077 367 L CA 2.186 57.068 54.840 0.071 0.000 0.747 367 L CB -1.446 40.648 42.059 0.058 0.000 0.896 367 L HN 0.216 nan 8.230 nan 0.000 0.432 368 G N -0.892 108.013 108.800 0.175 0.000 2.476 368 G HA2 -0.314 3.651 3.960 0.008 0.000 0.218 368 G HA3 -0.314 3.651 3.960 0.008 0.000 0.218 368 G C 1.325 176.127 174.900 -0.164 0.000 1.164 368 G CA 0.965 46.069 45.100 0.007 0.000 0.768 368 G HN 0.449 nan 8.290 nan 0.000 0.560 369 D N 0.041 120.404 120.400 -0.061 0.000 2.178 369 D HA -0.071 4.573 4.640 0.008 0.000 0.201 369 D C 2.749 179.040 176.300 -0.013 0.000 0.980 369 D CA 0.789 54.741 54.000 -0.080 0.000 0.842 369 D CB -0.121 40.691 40.800 0.019 0.000 0.948 369 D HN 0.270 nan 8.370 nan 0.000 0.472 370 V N 1.005 120.936 119.914 0.029 0.000 2.488 370 V HA -0.141 3.984 4.120 0.008 0.000 0.246 370 V C 2.636 178.792 176.094 0.104 0.000 1.046 370 V CA 0.758 63.111 62.300 0.088 0.000 1.053 370 V CB -0.389 31.445 31.823 0.019 0.000 0.679 370 V HN 0.147 nan 8.190 nan 0.000 0.458 371 L N -0.530 120.688 121.223 -0.008 0.000 2.046 371 L HA -0.191 4.154 4.340 0.008 0.000 0.208 371 L C 2.474 179.330 176.870 -0.022 0.000 1.077 371 L CA 1.346 56.162 54.840 -0.040 0.000 0.747 371 L CB -0.626 41.352 42.059 -0.136 0.000 0.896 371 L HN 0.324 nan 8.230 nan 0.000 0.432 372 L N 0.013 121.192 121.223 -0.073 0.000 2.017 372 L HA -0.218 4.127 4.340 0.008 0.000 0.208 372 L C 2.781 179.627 176.870 -0.041 0.000 1.073 372 L CA 2.204 56.991 54.840 -0.089 0.000 0.745 372 L CB -0.463 41.502 42.059 -0.157 0.000 0.894 372 L HN 0.376 nan 8.230 nan 0.000 0.432 373 S N -2.571 113.123 115.700 -0.011 0.000 2.481 373 S HA -0.137 4.338 4.470 0.008 0.000 0.231 373 S C 1.468 175.958 174.600 -0.184 0.000 0.996 373 S CA 1.028 59.179 58.200 -0.081 0.000 0.942 373 S CB -0.706 62.441 63.200 -0.089 0.000 0.768 373 S HN 0.669 nan 8.310 nan 0.000 0.520 374 H N 0.039 119.114 119.070 0.009 0.000 2.755 374 H HA 0.451 5.013 4.556 0.009 0.000 0.273 374 H C 2.034 177.414 175.328 0.086 0.000 1.055 374 H CA 0.318 56.411 56.048 0.075 0.000 1.191 374 H CB 0.222 30.019 29.762 0.059 0.000 1.536 374 H HN 0.383 nan 8.280 nan 0.000 0.529 375 S N 0.403 116.166 115.700 0.106 0.000 2.370 375 S HA -0.221 4.254 4.470 0.008 0.000 0.226 375 S C 2.264 176.894 174.600 0.050 0.000 1.033 375 S CA 1.683 59.922 58.200 0.067 0.000 1.011 375 S CB -0.201 63.013 63.200 0.024 0.000 0.852 375 S HN 0.625 nan 8.310 nan 0.000 0.457 376 S N 0.725 116.437 115.700 0.021 0.000 2.359 376 S HA -0.135 4.340 4.470 0.008 0.000 0.224 376 S C 2.000 176.583 174.600 -0.029 0.000 1.035 376 S CA 1.804 59.999 58.200 -0.010 0.000 1.018 376 S CB -1.420 61.763 63.200 -0.029 0.000 0.876 376 S HN 0.796 nan 8.310 nan 0.000 0.448 377 T N -2.132 112.406 114.554 -0.026 0.000 3.044 377 T HA 0.168 4.523 4.350 0.008 0.000 0.250 377 T C 0.536 175.020 174.700 -0.359 0.000 1.081 377 T CA 0.111 62.115 62.100 -0.159 0.000 1.040 377 T CB -0.266 68.505 68.868 -0.161 0.000 0.962 377 T HN 0.569 nan 8.240 nan 0.000 0.506 378 H N 0.658 119.750 119.070 0.037 0.000 2.471 378 H HA 0.407 4.968 4.556 0.009 0.000 0.234 378 H C 1.042 176.373 175.328 0.006 0.000 1.388 378 H CA -0.466 55.600 56.048 0.030 0.000 1.198 378 H CB 0.824 30.617 29.762 0.051 0.000 1.714 378 H HN 0.259 nan 8.280 nan 0.000 0.536 379 K N 0.711 121.132 120.400 0.035 0.000 2.026 379 K HA -0.151 4.174 4.320 0.008 0.000 0.208 379 K C 2.156 178.749 176.600 -0.013 0.000 1.048 379 K CA 1.444 57.738 56.287 0.012 0.000 0.929 379 K CB 0.350 32.836 32.500 -0.025 0.000 0.713 379 K HN 0.152 nan 8.250 nan 0.000 0.439 380 S N 0.693 116.360 115.700 -0.055 0.000 2.345 380 S HA -0.147 4.328 4.470 0.008 0.000 0.220 380 S C 1.980 176.467 174.600 -0.189 0.000 1.031 380 S CA 1.187 59.281 58.200 -0.177 0.000 0.996 380 S CB -0.364 62.769 63.200 -0.111 0.000 0.882 380 S HN 0.356 nan 8.310 nan 0.000 0.445 381 L N 1.780 123.017 121.223 0.023 0.000 2.042 381 L HA 0.000 4.345 4.340 0.008 0.000 0.210 381 L C 2.331 179.221 176.870 0.033 0.000 1.076 381 L CA 1.746 56.660 54.840 0.123 0.000 0.749 381 L CB -0.860 41.293 42.059 0.157 0.000 0.893 381 L HN 0.253 nan 8.230 nan 0.000 0.432 382 V N -0.821 119.100 119.914 0.012 0.000 2.358 382 V HA -0.314 3.811 4.120 0.008 0.000 0.246 382 V C 2.506 178.529 176.094 -0.119 0.000 1.047 382 V CA 1.920 64.188 62.300 -0.053 0.000 1.035 382 V CB -0.856 30.960 31.823 -0.011 0.000 0.658 382 V HN 0.684 nan 8.190 nan 0.000 0.452 383 H N -0.008 118.976 119.070 -0.143 0.000 2.319 383 H HA -0.211 4.350 4.556 0.008 0.000 0.299 383 H C 2.304 177.603 175.328 -0.049 0.000 1.092 383 H CA 2.526 58.510 56.048 -0.107 0.000 1.302 383 H CB -0.218 29.500 29.762 -0.074 0.000 1.373 383 H HN 0.648 nan 8.280 nan 0.000 0.497 384 H N -1.208 117.887 119.070 0.041 0.000 2.428 384 H HA 0.062 4.623 4.556 0.008 0.000 0.296 384 H C 2.289 177.505 175.328 -0.187 0.000 1.062 384 H CA 0.327 56.359 56.048 -0.027 0.000 1.350 384 H CB 0.139 29.958 29.762 0.094 0.000 1.403 384 H HN 0.510 nan 8.280 nan 0.000 0.533 385 A N 1.381 124.137 122.820 -0.107 0.000 1.873 385 A HA -0.173 4.152 4.320 0.008 0.000 0.215 385 A C 2.239 179.651 177.584 -0.288 0.000 1.186 385 A CA 1.282 53.192 52.037 -0.212 0.000 0.616 385 A CB -0.328 18.545 19.000 -0.211 0.000 0.823 385 A HN 0.296 nan 8.150 nan 0.000 0.442 386 R N -1.167 119.061 120.500 -0.453 0.000 2.081 386 R HA -0.123 4.222 4.340 0.008 0.000 0.235 386 R C 2.120 178.128 176.300 -0.488 0.000 1.131 386 R CA 1.400 57.032 56.100 -0.780 0.000 0.960 386 R CB -0.608 28.712 30.300 -1.633 0.000 0.856 386 R HN 0.486 nan 8.270 nan 0.000 0.436 387 L N 1.342 122.400 121.223 -0.275 0.000 1.971 387 L HA -0.286 4.059 4.340 0.008 0.000 0.215 387 L C 2.412 179.266 176.870 -0.027 0.000 1.072 387 L CA 2.037 56.878 54.840 0.002 0.000 0.758 387 L CB -0.715 41.353 42.059 0.016 0.000 0.889 387 L HN 0.103 nan 8.230 nan 0.000 0.433 388 Q N -0.491 119.251 119.800 -0.096 0.000 2.061 388 Q HA -0.202 4.143 4.340 0.008 0.000 0.204 388 Q C 2.164 178.122 176.000 -0.070 0.000 0.984 388 Q CA 2.319 58.062 55.803 -0.101 0.000 0.846 388 Q CB -0.629 28.014 28.738 -0.159 0.000 0.902 388 Q HN 0.632 nan 8.270 nan 0.000 0.421 389 L N -0.338 120.826 121.223 -0.098 0.000 2.042 389 L HA -0.232 4.112 4.340 0.008 0.000 0.210 389 L C 2.380 179.271 176.870 0.036 0.000 1.076 389 L CA 1.793 56.599 54.840 -0.057 0.000 0.749 389 L CB -0.882 41.111 42.059 -0.109 0.000 0.893 389 L HN 0.302 nan 8.230 nan 0.000 0.432 390 T N 0.211 114.813 114.554 0.080 0.000 2.708 390 T HA -0.177 4.178 4.350 0.008 0.000 0.266 390 T C 1.968 176.786 174.700 0.196 0.000 1.037 390 T CA 1.306 63.533 62.100 0.213 0.000 1.146 390 T CB -0.294 68.790 68.868 0.360 0.000 0.865 390 T HN 0.181 nan 8.240 nan 0.000 0.435 391 L N 0.789 122.087 121.223 0.125 0.000 2.046 391 L HA -0.143 4.202 4.340 0.008 0.000 0.208 391 L C 3.033 180.000 176.870 0.161 0.000 1.077 391 L CA 1.070 55.986 54.840 0.127 0.000 0.747 391 L CB -0.503 41.554 42.059 -0.004 0.000 0.896 391 L HN 0.178 nan 8.230 nan 0.000 0.432 392 Q N -0.504 119.354 119.800 0.096 0.000 2.079 392 Q HA -0.149 4.195 4.340 0.008 0.000 0.200 392 Q C 2.324 178.410 176.000 0.142 0.000 0.974 392 Q CA 1.287 57.140 55.803 0.084 0.000 0.840 392 Q CB -0.440 28.306 28.738 0.013 0.000 0.898 392 Q HN 0.341 nan 8.270 nan 0.000 0.430 393 L N 0.448 121.773 121.223 0.172 0.000 2.046 393 L HA -0.148 4.197 4.340 0.008 0.000 0.208 393 L C 2.275 179.284 176.870 0.233 0.000 1.077 393 L CA 1.395 56.393 54.840 0.263 0.000 0.747 393 L CB -0.757 41.465 42.059 0.273 0.000 0.896 393 L HN 0.168 nan 8.230 nan 0.000 0.432 394 I N -0.836 119.847 120.570 0.188 0.000 2.226 394 I HA -0.310 3.865 4.170 0.008 0.000 0.245 394 I C 2.727 178.914 176.117 0.116 0.000 1.100 394 I CA 1.291 62.674 61.300 0.137 0.000 1.374 394 I CB -0.390 37.786 38.000 0.293 0.000 1.057 394 I HN 0.314 nan 8.210 nan 0.000 0.413 395 R N 1.855 122.454 120.500 0.165 0.000 2.081 395 R HA -0.169 4.176 4.340 0.008 0.000 0.235 395 R C 2.218 178.619 176.300 0.168 0.000 1.131 395 R CA 1.558 57.739 56.100 0.134 0.000 0.960 395 R CB -0.558 29.818 30.300 0.127 0.000 0.856 395 R HN 0.301 nan 8.270 nan 0.000 0.436 396 L N 0.818 122.188 121.223 0.246 0.000 2.046 396 L HA -0.109 4.236 4.340 0.008 0.000 0.208 396 L C 2.913 180.030 176.870 0.413 0.000 1.077 396 L CA 1.446 56.540 54.840 0.423 0.000 0.747 396 L CB -0.582 41.762 42.059 0.475 0.000 0.896 396 L HN 0.406 nan 8.230 nan 0.000 0.432 397 A N -0.150 122.775 122.820 0.175 0.000 1.930 397 A HA -0.095 4.230 4.320 0.008 0.000 0.217 397 A C 2.530 180.121 177.584 0.010 0.000 1.175 397 A CA 1.472 53.453 52.037 -0.093 0.000 0.627 397 A CB -0.646 18.052 19.000 -0.503 0.000 0.815 397 A HN 0.386 nan 8.150 nan 0.000 0.443 398 A N -0.516 122.320 122.820 0.027 0.000 1.933 398 A HA -0.088 4.237 4.320 0.008 0.000 0.218 398 A C 2.425 180.078 177.584 0.115 0.000 1.175 398 A CA 2.067 54.115 52.037 0.019 0.000 0.628 398 A CB -0.830 18.163 19.000 -0.013 0.000 0.814 398 A HN 0.433 nan 8.150 nan 0.000 0.444 399 S N -0.232 115.597 115.700 0.215 0.000 2.368 399 S HA -0.101 4.374 4.470 0.008 0.000 0.225 399 S C 1.819 176.755 174.600 0.560 0.000 1.030 399 S CA 1.402 59.803 58.200 0.335 0.000 0.999 399 S CB -0.460 62.885 63.200 0.242 0.000 0.844 399 S HN 0.525 nan 8.310 nan 0.000 0.459 400 L N 1.245 122.805 121.223 0.562 0.000 2.012 400 L HA -0.214 4.131 4.340 0.008 0.000 0.210 400 L C 2.846 179.946 176.870 0.384 0.000 1.073 400 L CA 1.601 56.759 54.840 0.529 0.000 0.748 400 L CB -0.558 41.750 42.059 0.415 0.000 0.891 400 L HN 0.385 nan 8.230 nan 0.000 0.431 401 Q N -0.712 119.174 119.800 0.143 0.000 2.050 401 Q HA -0.288 4.057 4.340 0.008 0.000 0.202 401 Q C 2.358 178.300 176.000 -0.096 0.000 0.980 401 Q CA 1.742 57.401 55.803 -0.241 0.000 0.840 401 Q CB -0.231 28.211 28.738 -0.493 0.000 0.898 401 Q HN 0.544 nan 8.270 nan 0.000 0.424 402 H N -0.732 118.300 119.070 -0.063 0.000 2.357 402 H HA -0.205 4.356 4.556 0.008 0.000 0.296 402 H C 0.956 176.213 175.328 -0.120 0.000 1.108 402 H CA 1.912 57.887 56.048 -0.120 0.000 1.273 402 H CB -0.102 29.555 29.762 -0.175 0.000 1.367 402 H HN 0.396 nan 8.280 nan 0.000 0.498 403 Y N -0.154 120.190 120.300 0.074 0.000 2.529 403 Y HA 0.141 4.695 4.550 0.008 0.000 0.290 403 Y C 1.875 177.850 175.900 0.124 0.000 1.177 403 Y CA 0.638 58.778 58.100 0.066 0.000 1.305 403 Y CB 0.252 38.834 38.460 0.203 0.000 1.047 403 Y HN 0.481 nan 8.280 nan 0.000 0.522 404 G N 0.603 109.593 108.800 0.316 0.000 2.160 404 G HA2 -0.261 3.704 3.960 0.008 0.000 0.244 404 G HA3 -0.261 3.704 3.960 0.008 0.000 0.244 404 G C -0.275 174.884 174.900 0.433 0.000 1.022 404 G CA 0.113 45.476 45.100 0.438 0.000 0.741 404 G HN 0.274 nan 8.290 nan 0.000 0.508 405 L N -0.808 120.724 121.223 0.515 0.000 2.319 405 L HA 0.814 5.159 4.340 0.008 0.000 0.267 405 L C 0.127 177.233 176.870 0.393 0.000 1.011 405 L CA -1.508 53.553 54.840 0.368 0.000 0.818 405 L CB 2.276 44.548 42.059 0.356 0.000 1.316 405 L HN -0.082 nan 8.230 nan 0.000 0.432 406 V N 0.490 120.550 119.914 0.243 0.000 2.444 406 V HA 0.194 4.319 4.120 0.008 0.000 0.294 406 V C 0.618 176.845 176.094 0.222 0.000 1.022 406 V CA -0.525 61.911 62.300 0.227 0.000 0.850 406 V CB 1.326 33.199 31.823 0.084 0.000 0.992 406 V HN 0.777 nan 8.190 nan 0.000 0.426 407 H N 4.558 123.738 119.070 0.184 0.000 2.363 407 H HA -0.028 4.533 4.556 0.008 0.000 0.301 407 H C 1.710 177.100 175.328 0.103 0.000 1.074 407 H CA 1.713 57.850 56.048 0.148 0.000 1.354 407 H CB 0.550 30.405 29.762 0.154 0.000 1.397 407 H HN 0.959 nan 8.280 nan 0.000 0.516 408 A N 0.525 123.506 122.820 0.268 0.000 3.396 408 A HA -0.224 4.101 4.320 0.008 0.000 0.267 408 A C 0.661 178.375 177.584 0.217 0.000 1.139 408 A CA 1.520 53.621 52.037 0.106 0.000 1.115 408 A CB -1.909 16.984 19.000 -0.179 0.000 1.133 408 A HN 0.553 nan 8.150 nan 0.000 0.920 409 D N -2.143 118.508 120.400 0.418 0.000 3.007 409 D HA 0.332 4.977 4.640 0.008 0.000 0.363 409 D C -0.482 175.971 176.300 0.255 0.000 1.474 409 D CA -0.296 53.865 54.000 0.268 0.000 0.767 409 D CB -0.352 40.509 40.800 0.102 0.000 1.227 409 D HN 0.335 nan 8.370 nan 0.000 0.471 410 F N 2.788 122.806 119.950 0.112 0.000 2.541 410 F HA 0.295 4.827 4.527 0.008 0.000 0.347 410 F C -0.098 175.659 175.800 -0.072 0.000 1.242 410 F CA 0.045 57.953 58.000 -0.152 0.000 1.123 410 F CB -0.055 38.877 39.000 -0.113 0.000 1.354 410 F HN 0.008 nan 8.300 nan 0.000 0.621 411 Q N 1.970 121.617 119.800 -0.255 0.000 2.511 411 Q HA 0.361 4.706 4.340 0.008 0.000 0.289 411 Q C 0.088 175.913 176.000 -0.293 0.000 1.021 411 Q CA -0.578 55.117 55.803 -0.180 0.000 0.785 411 Q CB 0.926 29.522 28.738 -0.236 0.000 1.472 411 Q HN 0.165 nan 8.270 nan 0.000 0.411 412 V N -1.488 118.285 119.914 -0.235 0.000 2.867 412 V HA -0.131 3.994 4.120 0.008 0.000 0.260 412 V C 1.523 177.507 176.094 -0.184 0.000 1.099 412 V CA 1.621 63.778 62.300 -0.239 0.000 1.122 412 V CB -0.762 30.852 31.823 -0.347 0.000 0.708 412 V HN 0.746 nan 8.190 nan 0.000 0.490 413 R N 0.766 121.139 120.500 -0.211 0.000 2.148 413 R HA 0.043 4.388 4.340 0.008 0.000 0.223 413 R C 1.533 177.753 176.300 -0.133 0.000 1.088 413 R CA 1.195 57.202 56.100 -0.154 0.000 0.985 413 R CB -0.406 29.753 30.300 -0.235 0.000 0.880 413 R HN 0.506 nan 8.270 nan 0.000 0.451 414 N N 0.325 118.899 118.700 -0.211 0.000 2.383 414 N HA 0.053 4.798 4.740 0.008 0.000 0.192 414 N C -0.362 174.988 175.510 -0.267 0.000 1.141 414 N CA 0.485 53.389 53.050 -0.243 0.000 0.851 414 N CB 0.488 38.787 38.487 -0.314 0.000 0.976 414 N HN 0.068 nan 8.380 nan 0.000 0.465 415 I N 2.054 122.500 120.570 -0.207 0.000 2.312 415 I HA 0.300 4.475 4.170 0.008 0.000 0.290 415 I C 0.137 176.258 176.117 0.008 0.000 1.008 415 I CA -0.393 60.828 61.300 -0.133 0.000 1.226 415 I CB 0.820 38.727 38.000 -0.156 0.000 1.371 415 I HN -0.232 nan 8.210 nan 0.000 0.468 416 L N 6.016 127.301 121.223 0.104 0.000 2.330 416 L HA 0.596 4.941 4.340 0.008 0.000 0.271 416 L C -0.702 176.324 176.870 0.260 0.000 1.013 416 L CA -1.005 53.936 54.840 0.170 0.000 0.816 416 L CB 2.181 44.351 42.059 0.186 0.000 1.287 416 L HN 0.228 nan 8.230 nan 0.000 0.435 417 L N 1.713 123.050 121.223 0.190 0.000 2.362 417 L HA 0.408 4.753 4.340 0.008 0.000 0.275 417 L C -0.511 176.502 176.870 0.239 0.000 0.998 417 L CA -0.543 54.455 54.840 0.263 0.000 0.820 417 L CB 1.541 43.746 42.059 0.243 0.000 1.270 417 L HN 0.612 nan 8.230 nan 0.000 0.415 418 D N 1.217 121.828 120.400 0.351 0.000 2.437 418 D HA 0.146 4.791 4.640 0.008 0.000 0.259 418 D C 0.835 177.304 176.300 0.281 0.000 1.118 418 D CA -0.523 53.615 54.000 0.230 0.000 1.017 418 D CB 0.725 41.645 40.800 0.201 0.000 1.120 418 D HN 0.583 nan 8.370 nan 0.000 0.541 419 Q N -0.576 119.332 119.800 0.181 0.000 2.291 419 Q HA -0.109 4.236 4.340 0.008 0.000 0.206 419 Q C 0.832 176.996 176.000 0.273 0.000 0.976 419 Q CA 0.789 56.708 55.803 0.192 0.000 0.875 419 Q CB -0.066 28.720 28.738 0.080 0.000 0.927 419 Q HN 0.206 nan 8.270 nan 0.000 0.450 420 R N 0.125 120.755 120.500 0.216 0.000 2.356 420 R HA 0.160 4.505 4.340 0.008 0.000 0.234 420 R C 0.875 177.235 176.300 0.101 0.000 0.929 420 R CA 0.621 56.812 56.100 0.152 0.000 1.084 420 R CB 0.386 30.763 30.300 0.129 0.000 1.105 420 R HN 0.584 nan 8.270 nan 0.000 0.515 421 G N 0.048 108.924 108.800 0.126 0.000 2.176 421 G HA2 -0.246 3.719 3.960 0.008 0.000 0.253 421 G HA3 -0.246 3.719 3.960 0.008 0.000 0.253 421 G C 0.544 175.429 174.900 -0.026 0.000 0.979 421 G CA 0.004 45.051 45.100 -0.089 0.000 0.641 421 G HN 0.570 nan 8.290 nan 0.000 0.530 422 G N -0.712 108.156 108.800 0.112 0.000 2.483 422 G HA2 0.566 4.531 3.960 0.008 0.000 0.248 422 G HA3 0.566 4.531 3.960 0.008 0.000 0.248 422 G C -0.003 174.877 174.900 -0.034 0.000 1.248 422 G CA 0.333 45.429 45.100 -0.008 0.000 0.838 422 G HN 1.017 nan 8.290 nan 0.000 0.566 423 V N 2.130 121.861 119.914 -0.304 0.000 2.370 423 V HA 0.533 4.658 4.120 0.008 0.000 0.283 423 V C -0.607 175.282 176.094 -0.343 0.000 1.023 423 V CA -0.419 61.788 62.300 -0.155 0.000 0.857 423 V CB 0.592 32.362 31.823 -0.089 0.000 0.985 423 V HN 0.542 nan 8.190 nan 0.000 0.443 424 F N 4.139 124.137 119.950 0.079 0.000 2.561 424 F HA 0.688 5.219 4.527 0.006 0.000 0.321 424 F C -0.314 175.516 175.800 0.049 0.000 1.065 424 F CA -0.968 57.104 58.000 0.119 0.000 0.934 424 F CB 1.974 41.053 39.000 0.132 0.000 1.215 424 F HN 0.311 nan 8.300 nan 0.000 0.471 425 L N 1.548 122.935 121.223 0.273 0.000 2.295 425 L HA 0.708 5.053 4.340 0.008 0.000 0.285 425 L C -0.197 176.625 176.870 -0.080 0.000 1.035 425 L CA 0.351 55.153 54.840 -0.063 0.000 0.806 425 L CB 1.485 43.425 42.059 -0.199 0.000 1.214 425 L HN 0.699 nan 8.230 nan 0.000 0.426 426 T N 2.360 116.721 114.554 -0.321 0.000 2.773 426 T HA 0.671 5.026 4.350 0.008 0.000 0.278 426 T C -0.077 174.255 174.700 -0.614 0.000 1.011 426 T CA -0.094 61.812 62.100 -0.323 0.000 1.014 426 T CB 1.202 70.025 68.868 -0.075 0.000 1.293 426 T HN 1.285 nan 8.240 nan 0.000 0.554 427 G N 1.145 109.691 108.800 -0.423 0.000 2.401 427 G HA2 -0.174 3.791 3.960 0.008 0.000 0.283 427 G HA3 -0.174 3.791 3.960 0.008 0.000 0.283 427 G C 0.103 174.709 174.900 -0.489 0.000 1.117 427 G CA 0.097 45.006 45.100 -0.318 0.000 1.051 427 G HN 0.553 nan 8.290 nan 0.000 0.510 428 F N 0.219 119.977 119.950 -0.321 0.000 2.692 428 F HA 0.171 4.703 4.527 0.008 0.000 0.303 428 F C 2.206 177.853 175.800 -0.254 0.000 1.114 428 F CA 0.564 58.334 58.000 -0.382 0.000 1.361 428 F CB 0.337 39.075 39.000 -0.435 0.000 1.063 428 F HN 0.563 nan 8.300 nan 0.000 0.550 429 E N -0.468 119.639 120.200 -0.155 0.000 2.418 429 E HA -0.182 4.173 4.350 0.008 0.000 0.197 429 E C 0.382 176.716 176.600 -0.443 0.000 1.026 429 E CA 1.296 57.549 56.400 -0.244 0.000 0.862 429 E CB -0.461 29.067 29.700 -0.286 0.000 0.799 429 E HN 0.535 nan 8.360 nan 0.000 0.518 430 H N 0.076 119.065 119.070 -0.136 0.000 2.592 430 H HA 0.247 4.808 4.556 0.008 0.000 0.279 430 H C -0.300 174.957 175.328 -0.120 0.000 1.089 430 H CA -0.656 55.315 56.048 -0.128 0.000 1.150 430 H CB 0.526 30.197 29.762 -0.152 0.000 1.575 430 H HN 0.031 nan 8.280 nan 0.000 0.547 431 L N 2.806 124.018 121.223 -0.017 0.000 2.513 431 L HA 0.146 4.491 4.340 0.008 0.000 0.272 431 L C 0.090 176.999 176.870 0.065 0.000 1.187 431 L CA 0.111 54.987 54.840 0.061 0.000 0.895 431 L CB -0.089 42.081 42.059 0.184 0.000 1.147 431 L HN 0.124 nan 8.230 nan 0.000 0.483 432 V N 2.694 122.646 119.914 0.063 0.000 3.167 432 V HA 0.668 4.793 4.120 0.008 0.000 0.310 432 V C -0.057 176.066 176.094 0.049 0.000 1.207 432 V CA -1.338 60.983 62.300 0.035 0.000 1.059 432 V CB 1.705 33.520 31.823 -0.012 0.000 1.079 432 V HN 0.680 nan 8.190 nan 0.000 0.446 433 R N 0.575 121.089 120.500 0.023 0.000 2.539 433 R HA 0.304 4.649 4.340 0.008 0.000 0.275 433 R C -0.418 175.848 176.300 -0.057 0.000 1.077 433 R CA -0.304 55.806 56.100 0.017 0.000 1.097 433 R CB 0.629 30.936 30.300 0.013 0.000 1.018 433 R HN 0.993 nan 8.270 nan 0.000 0.483 434 D N 0.463 120.787 120.400 -0.128 0.000 2.531 434 D HA 0.047 4.692 4.640 0.008 0.000 0.239 434 D C 0.988 177.148 176.300 -0.233 0.000 1.144 434 D CA 1.836 55.630 54.000 -0.344 0.000 0.869 434 D CB 0.336 40.608 40.800 -0.881 0.000 1.160 434 D HN 0.678 nan 8.370 nan 0.000 0.484 435 G N 2.168 110.847 108.800 -0.201 0.000 2.179 435 G HA2 -0.119 3.846 3.960 0.008 0.000 0.220 435 G HA3 -0.119 3.846 3.960 0.008 0.000 0.220 435 G C 0.430 175.273 174.900 -0.094 0.000 0.990 435 G CA 0.074 45.096 45.100 -0.130 0.000 0.646 435 G HN 0.926 nan 8.290 nan 0.000 0.517 436 A N 0.005 122.768 122.820 -0.095 0.000 2.332 436 A HA 0.760 5.085 4.320 0.008 0.000 0.258 436 A C 0.759 178.288 177.584 -0.093 0.000 1.087 436 A CA 0.969 52.959 52.037 -0.078 0.000 0.802 436 A CB 0.918 19.878 19.000 -0.066 0.000 1.042 436 A HN 1.538 nan 8.150 nan 0.000 0.489 437 S N -0.125 115.525 115.700 -0.082 0.000 2.438 437 S HA 0.660 5.135 4.470 0.008 0.000 0.316 437 S C -0.314 174.223 174.600 -0.104 0.000 1.084 437 S CA 0.221 58.361 58.200 -0.100 0.000 1.107 437 S CB 0.155 63.305 63.200 -0.082 0.000 0.981 437 S HN 1.867 nan 8.310 nan 0.000 0.466 438 A N 3.950 126.688 122.820 -0.138 0.000 2.609 438 A HA 0.696 5.021 4.320 0.008 0.000 0.291 438 A C -1.254 176.241 177.584 -0.149 0.000 1.096 438 A CA -0.653 51.315 52.037 -0.117 0.000 0.684 438 A CB 1.220 20.162 19.000 -0.097 0.000 1.282 438 A HN 0.692 nan 8.150 nan 0.000 0.412 439 V N 1.553 121.413 119.914 -0.089 0.000 2.461 439 V HA 0.504 4.629 4.120 0.008 0.000 0.275 439 V C 0.816 176.819 176.094 -0.151 0.000 1.047 439 V CA -0.086 62.162 62.300 -0.088 0.000 0.955 439 V CB 1.218 33.038 31.823 -0.005 0.000 0.988 439 V HN 0.896 nan 8.190 nan 0.000 0.471 440 S N 6.626 122.196 115.700 -0.217 0.000 2.525 440 S HA 0.434 4.909 4.470 0.008 0.000 0.278 440 S C -0.989 173.456 174.600 -0.258 0.000 1.234 440 S CA -1.301 56.729 58.200 -0.284 0.000 1.058 440 S CB 1.397 64.492 63.200 -0.175 0.000 0.983 440 S HN 0.702 nan 8.310 nan 0.000 0.495 441 P HA 0.143 nan 4.420 nan 0.000 0.241 441 P C 0.442 177.642 177.300 -0.166 0.000 1.191 441 P CA 0.086 63.014 63.100 -0.286 0.000 0.771 441 P CB 0.044 31.527 31.700 -0.363 0.000 0.929 442 I N 0.867 121.380 120.570 -0.096 0.000 2.648 442 I HA 0.083 4.258 4.170 0.008 0.000 0.284 442 I C 1.152 177.257 176.117 -0.019 0.000 1.153 442 I CA -0.156 61.108 61.300 -0.059 0.000 1.426 442 I CB 0.719 38.772 38.000 0.089 0.000 1.381 442 I HN -0.037 nan 8.210 nan 0.000 0.571 443 G N 6.238 115.016 108.800 -0.036 0.000 2.664 443 G HA2 0.005 3.970 3.960 0.008 0.000 0.242 443 G HA3 0.005 3.970 3.960 0.008 0.000 0.242 443 G C 1.123 176.125 174.900 0.169 0.000 1.225 443 G CA -0.500 44.639 45.100 0.066 0.000 0.849 443 G HN 0.860 nan 8.290 nan 0.000 0.581 444 R N 0.511 121.077 120.500 0.109 0.000 2.152 444 R HA -0.053 4.292 4.340 0.008 0.000 0.232 444 R C 2.183 178.560 176.300 0.129 0.000 1.117 444 R CA 1.392 57.548 56.100 0.093 0.000 0.981 444 R CB -0.796 29.536 30.300 0.053 0.000 0.870 444 R HN 0.521 nan 8.270 nan 0.000 0.451 445 G N 0.501 109.409 108.800 0.180 0.000 2.448 445 G HA2 -0.200 3.765 3.960 0.008 0.000 0.219 445 G HA3 -0.200 3.765 3.960 0.008 0.000 0.219 445 G C 0.927 175.863 174.900 0.059 0.000 1.127 445 G CA 0.355 45.518 45.100 0.106 0.000 0.766 445 G HN 0.366 nan 8.290 nan 0.000 0.552 446 F N 1.109 121.126 119.950 0.113 0.000 2.714 446 F HA 0.484 5.016 4.527 0.008 0.000 0.294 446 F C 1.855 177.760 175.800 0.175 0.000 1.120 446 F CA -0.329 57.766 58.000 0.158 0.000 1.398 446 F CB 0.336 39.395 39.000 0.098 0.000 1.120 446 F HN 0.111 nan 8.300 nan 0.000 0.589 447 A N 1.546 124.491 122.820 0.208 0.000 2.477 447 A HA 0.317 4.642 4.320 0.008 0.000 0.246 447 A C -2.255 175.124 177.584 -0.343 0.000 1.078 447 A CA -1.360 50.646 52.037 -0.051 0.000 0.770 447 A CB -0.465 18.529 19.000 -0.009 0.000 1.011 447 A HN -0.087 nan 8.150 nan 0.000 0.494 448 P HA 0.059 nan 4.420 nan 0.000 0.266 448 P C -1.920 174.842 177.300 -0.897 0.000 1.193 448 P CA -0.882 61.358 63.100 -1.434 0.000 0.770 448 P CB 0.057 31.166 31.700 -0.984 0.000 0.836 449 P HA -0.208 nan 4.420 nan 0.000 0.216 449 P C 1.367 178.394 177.300 -0.455 0.000 1.150 449 P CA 1.478 64.181 63.100 -0.662 0.000 0.837 449 P CB -0.282 30.874 31.700 -0.907 0.000 0.786 450 E N -0.632 119.278 120.200 -0.483 0.000 2.268 450 E HA -0.162 4.192 4.350 0.008 0.000 0.195 450 E C 1.760 178.272 176.600 -0.147 0.000 0.995 450 E CA 1.734 57.972 56.400 -0.269 0.000 0.836 450 E CB -1.415 28.145 29.700 -0.233 0.000 0.763 450 E HN 0.227 nan 8.360 nan 0.000 0.491 451 T N -0.032 114.432 114.554 -0.150 0.000 2.894 451 T HA -0.042 4.313 4.350 0.008 0.000 0.258 451 T C 1.874 176.568 174.700 -0.010 0.000 1.043 451 T CA 1.733 63.820 62.100 -0.021 0.000 1.141 451 T CB -0.406 68.514 68.868 0.087 0.000 0.873 451 T HN 0.173 nan 8.240 nan 0.000 0.449 452 T N 1.833 116.346 114.554 -0.068 0.000 2.788 452 T HA 0.075 4.429 4.350 0.008 0.000 0.268 452 T C 2.260 176.950 174.700 -0.017 0.000 1.044 452 T CA 1.274 63.354 62.100 -0.035 0.000 1.139 452 T CB -0.716 68.111 68.868 -0.069 0.000 0.867 452 T HN 0.537 nan 8.240 nan 0.000 0.454 453 A N 2.154 124.948 122.820 -0.044 0.000 1.930 453 A HA -0.107 4.217 4.320 0.008 0.000 0.217 453 A C 1.945 179.535 177.584 0.009 0.000 1.175 453 A CA 1.456 53.480 52.037 -0.021 0.000 0.627 453 A CB -0.424 18.553 19.000 -0.040 0.000 0.815 453 A HN 0.748 nan 8.150 nan 0.000 0.443 454 E N -0.821 119.395 120.200 0.027 0.000 2.359 454 E HA 0.334 4.689 4.350 0.008 0.000 0.187 454 E C 0.631 177.324 176.600 0.155 0.000 1.081 454 E CA 0.193 56.639 56.400 0.076 0.000 0.929 454 E CB -0.494 29.249 29.700 0.071 0.000 1.086 454 E HN 0.530 nan 8.360 nan 0.000 0.462 463 H N 1.010 120.170 119.070 0.151 0.000 2.621 463 H HA 0.603 5.164 4.556 0.008 0.000 0.360 463 H C -3.067 172.282 175.328 0.036 0.000 1.163 463 H CA -2.056 54.027 56.048 0.057 0.000 1.194 463 H CB 2.019 31.795 29.762 0.023 0.000 1.649 463 H HN -0.177 nan 8.280 nan 0.000 0.532 464 P HA 0.098 nan 4.420 nan 0.000 0.265 464 P C -0.669 176.305 177.300 -0.544 0.000 1.193 464 P CA 0.081 62.956 63.100 -0.373 0.000 0.765 464 P CB 0.785 32.362 31.700 -0.206 0.000 0.823 465 T N -0.081 114.284 114.554 -0.316 0.000 2.901 465 T HA 0.480 4.835 4.350 0.008 0.000 0.293 465 T C -0.421 174.177 174.700 -0.170 0.000 1.084 465 T CA -1.141 60.825 62.100 -0.224 0.000 1.008 465 T CB 0.757 69.546 68.868 -0.132 0.000 1.170 465 T HN 0.193 nan 8.240 nan 0.000 0.509 466 L N 2.069 123.225 121.223 -0.111 0.000 2.513 466 L HA 0.385 4.730 4.340 0.008 0.000 0.272 466 L C -0.359 176.435 176.870 -0.127 0.000 1.187 466 L CA 0.284 55.066 54.840 -0.097 0.000 0.895 466 L CB -0.176 41.850 42.059 -0.055 0.000 1.147 466 L HN 0.644 nan 8.230 nan 0.000 0.483 467 M N 6.034 125.536 119.600 -0.163 0.000 2.055 467 M HA 0.347 4.832 4.480 0.008 0.000 0.346 467 M C -0.101 176.112 176.300 -0.145 0.000 1.074 467 M CA -0.242 54.930 55.300 -0.213 0.000 1.009 467 M CB 0.410 32.864 32.600 -0.243 0.000 1.423 467 M HN 0.798 nan 8.290 nan 0.000 0.410 468 T N -1.799 112.708 114.554 -0.078 0.000 2.887 468 T HA 0.620 4.975 4.350 0.008 0.000 0.292 468 T C 1.003 175.710 174.700 0.012 0.000 1.087 468 T CA -0.674 61.337 62.100 -0.147 0.000 1.009 468 T CB 1.129 69.928 68.868 -0.115 0.000 1.203 468 T HN 0.247 nan 8.240 nan 0.000 0.518 469 F N 0.946 120.958 119.950 0.104 0.000 2.087 469 F HA 0.084 4.616 4.527 0.008 0.000 0.299 469 F C -0.710 175.170 175.800 0.133 0.000 1.100 469 F CA 1.047 59.113 58.000 0.110 0.000 1.226 469 F CB -2.454 36.598 39.000 0.086 0.000 0.983 469 F HN 0.453 nan 8.300 nan 0.000 0.479 470 P HA -0.188 nan 4.420 nan 0.000 0.223 470 P C 1.732 179.181 177.300 0.248 0.000 1.144 470 P CA 1.151 64.398 63.100 0.246 0.000 0.783 470 P CB -0.345 31.466 31.700 0.186 0.000 0.771 471 F N 1.149 121.171 119.950 0.119 0.000 2.075 471 F HA -0.197 4.334 4.527 0.008 0.000 0.297 471 F C 1.782 177.684 175.800 0.170 0.000 1.113 471 F CA 1.696 59.764 58.000 0.113 0.000 1.218 471 F CB -0.463 38.573 39.000 0.060 0.000 0.984 471 F HN -0.187 nan 8.300 nan 0.000 0.472 472 D N -0.449 120.203 120.400 0.420 0.000 2.144 472 D HA -0.142 4.503 4.640 0.008 0.000 0.199 472 D C 2.286 178.579 176.300 -0.012 0.000 0.984 472 D CA 1.739 55.866 54.000 0.211 0.000 0.834 472 D CB -0.604 40.279 40.800 0.138 0.000 0.955 472 D HN 0.290 nan 8.370 nan 0.000 0.465 473 T N 0.319 114.900 114.554 0.045 0.000 2.708 473 T HA -0.174 4.181 4.350 0.008 0.000 0.266 473 T C 1.630 176.340 174.700 0.016 0.000 1.037 473 T CA 0.874 62.947 62.100 -0.045 0.000 1.146 473 T CB -0.291 68.651 68.868 0.123 0.000 0.865 473 T HN 0.366 nan 8.240 nan 0.000 0.435 474 W N 2.327 123.605 121.300 -0.036 0.000 2.333 474 W HA -0.252 4.413 4.660 0.008 0.000 0.316 474 W C 2.480 178.992 176.519 -0.012 0.000 1.215 474 W CA 2.367 59.700 57.345 -0.020 0.000 1.278 474 W CB -0.834 28.558 29.460 -0.113 0.000 1.154 474 W HN 0.416 nan 8.180 nan 0.000 0.486 475 T N -0.239 114.387 114.554 0.120 0.000 2.867 475 T HA -0.251 4.103 4.350 0.008 0.000 0.268 475 T C 1.971 176.748 174.700 0.127 0.000 1.057 475 T CA 1.383 63.570 62.100 0.146 0.000 1.136 475 T CB -1.000 68.023 68.868 0.259 0.000 0.874 475 T HN 0.122 nan 8.240 nan 0.000 0.466 476 L N 2.437 123.636 121.223 -0.040 0.000 2.013 476 L HA 0.097 4.442 4.340 0.008 0.000 0.212 476 L C 2.682 179.508 176.870 -0.073 0.000 1.073 476 L CA 2.362 57.108 54.840 -0.156 0.000 0.753 476 L CB -1.304 40.380 42.059 -0.626 0.000 0.890 476 L HN 0.370 nan 8.230 nan 0.000 0.432 477 G N -0.484 108.244 108.800 -0.120 0.000 2.440 477 G HA2 -0.236 3.729 3.960 0.008 0.000 0.218 477 G HA3 -0.236 3.729 3.960 0.008 0.000 0.218 477 G C 1.578 176.497 174.900 0.031 0.000 1.154 477 G CA 1.146 46.274 45.100 0.046 0.000 0.767 477 G HN 0.472 nan 8.290 nan 0.000 0.552 478 L N 0.537 121.719 121.223 -0.068 0.000 2.056 478 L HA -0.033 4.312 4.340 0.008 0.000 0.207 478 L C 3.407 180.434 176.870 0.262 0.000 1.078 478 L CA 0.994 55.850 54.840 0.027 0.000 0.749 478 L CB -0.520 41.512 42.059 -0.045 0.000 0.901 478 L HN 0.306 nan 8.230 nan 0.000 0.433 479 A N 0.455 123.437 122.820 0.270 0.000 1.933 479 A HA -0.165 4.160 4.320 0.008 0.000 0.218 479 A C 2.214 180.010 177.584 0.353 0.000 1.175 479 A CA 1.473 53.695 52.037 0.309 0.000 0.628 479 A CB -0.618 18.552 19.000 0.283 0.000 0.814 479 A HN 0.352 nan 8.150 nan 0.000 0.444 480 I N -2.227 118.542 120.570 0.330 0.000 2.252 480 I HA -0.246 3.929 4.170 0.008 0.000 0.245 480 I C 2.416 178.813 176.117 0.466 0.000 1.102 480 I CA 1.539 63.071 61.300 0.387 0.000 1.385 480 I CB -0.390 37.841 38.000 0.385 0.000 1.064 480 I HN 0.508 nan 8.210 nan 0.000 0.414 481 Y N 0.808 121.263 120.300 0.257 0.000 2.207 481 Y HA -0.323 4.232 4.550 0.008 0.000 0.287 481 Y C 2.418 178.468 175.900 0.249 0.000 1.156 481 Y CA 1.707 59.930 58.100 0.205 0.000 1.182 481 Y CB -0.298 38.196 38.460 0.058 0.000 0.979 481 Y HN 0.287 nan 8.280 nan 0.000 0.521 482 W N 0.832 122.265 121.300 0.222 0.000 2.358 482 W HA -0.267 4.398 4.660 0.008 0.000 0.303 482 W C 1.981 178.500 176.519 0.001 0.000 1.208 482 W CA 2.131 59.541 57.345 0.108 0.000 1.274 482 W CB -0.651 28.890 29.460 0.135 0.000 1.138 482 W HN 0.168 nan 8.180 nan 0.000 0.515 483 I N -0.360 120.329 120.570 0.199 0.000 2.194 483 I HA -0.340 3.835 4.170 0.008 0.000 0.246 483 I C 1.964 177.865 176.117 -0.360 0.000 1.093 483 I CA 2.143 63.392 61.300 -0.085 0.000 1.355 483 I CB -0.737 37.184 38.000 -0.131 0.000 1.046 483 I HN -0.013 nan 8.210 nan 0.000 0.413 484 W N -1.373 119.833 121.300 -0.158 0.000 2.942 484 W HA 0.045 4.710 4.660 0.009 0.000 0.263 484 W C 2.022 178.348 176.519 -0.322 0.000 1.296 484 W CA 0.122 57.339 57.345 -0.213 0.000 1.504 484 W CB -0.020 29.329 29.460 -0.185 0.000 1.096 484 W HN 0.148 nan 8.180 nan 0.000 0.639 485 c N -1.912 116.512 118.600 -0.293 0.000 4.111 485 c HA 0.608 5.183 4.570 0.008 0.000 0.443 485 c C 1.594 175.382 174.090 -0.504 0.000 1.586 485 c CA -0.153 55.932 56.329 -0.407 0.000 2.085 485 c CB -0.389 41.690 42.510 -0.719 0.000 3.126 485 c HN 0.228 nan 8.230 nan 0.000 0.684 486 A N 1.520 123.835 122.820 -0.843 0.000 2.783 486 A HA -0.144 4.181 4.320 0.008 0.000 0.292 486 A C -0.183 176.629 177.584 -1.286 0.000 1.495 486 A CA 1.780 52.845 52.037 -1.621 0.000 0.787 486 A CB -1.558 16.831 19.000 -1.018 0.000 1.017 486 A HN 0.671 nan 8.150 nan 0.000 0.516 487 D N -1.883 118.181 120.400 -0.560 0.000 2.643 487 D HA 0.658 5.303 4.640 0.008 0.000 0.283 487 D C -0.293 176.281 176.300 0.456 0.000 1.242 487 D CA -0.467 53.560 54.000 0.044 0.000 0.863 487 D CB 0.854 41.694 40.800 0.067 0.000 1.382 487 D HN 0.253 nan 8.370 nan 0.000 0.444 488 L N 1.840 123.262 121.223 0.333 0.000 2.375 488 L HA 0.445 4.790 4.340 0.008 0.000 0.271 488 L C -1.716 175.149 176.870 -0.008 0.000 1.107 488 L CA -1.365 53.536 54.840 0.102 0.000 0.806 488 L CB 1.417 43.432 42.059 -0.072 0.000 1.146 488 L HN 0.322 nan 8.230 nan 0.000 0.447 489 P HA 0.101 nan 4.420 nan 0.000 0.289 489 P C -1.120 176.178 177.300 -0.004 0.000 1.299 489 P CA -0.576 62.290 63.100 -0.390 0.000 0.766 489 P CB 0.416 31.590 31.700 -0.876 0.000 1.226 490 N N -0.531 118.254 118.700 0.141 0.000 3.103 490 N HA 0.025 4.770 4.740 0.008 0.000 0.305 490 N C 1.176 176.831 175.510 0.242 0.000 1.232 490 N CA 0.064 53.229 53.050 0.191 0.000 1.190 490 N CB -0.689 37.911 38.487 0.187 0.000 1.461 490 N HN 0.429 nan 8.380 nan 0.000 0.538 491 T N -1.945 112.697 114.554 0.147 0.000 2.881 491 T HA -0.216 4.139 4.350 0.008 0.000 0.270 491 T C 1.611 176.223 174.700 -0.146 0.000 1.068 491 T CA 0.847 62.940 62.100 -0.012 0.000 1.131 491 T CB -0.057 68.886 68.868 0.125 0.000 0.871 491 T HN 0.435 nan 8.240 nan 0.000 0.479 492 E N 1.708 121.874 120.200 -0.057 0.000 2.472 492 E HA -0.118 4.237 4.350 0.008 0.000 0.200 492 E C 0.287 176.826 176.600 -0.103 0.000 1.046 492 E CA 0.993 57.355 56.400 -0.063 0.000 0.871 492 E CB -0.423 29.269 29.700 -0.013 0.000 0.806 492 E HN 0.513 nan 8.360 nan 0.000 0.533 493 D N 0.018 120.330 120.400 -0.148 0.000 2.440 493 D HA 0.312 4.957 4.640 0.008 0.000 0.216 493 D C 1.275 177.299 176.300 -0.460 0.000 1.150 493 D CA 0.594 54.498 54.000 -0.161 0.000 0.832 493 D CB 0.705 41.518 40.800 0.021 0.000 0.992 493 D HN 0.248 nan 8.370 nan 0.000 0.502 494 A N 1.072 123.356 122.820 -0.895 0.000 1.978 494 A HA -0.233 4.092 4.320 0.008 0.000 0.220 494 A C 1.905 179.138 177.584 -0.586 0.000 1.170 494 A CA 1.440 52.687 52.037 -1.317 0.000 0.636 494 A CB -0.461 17.924 19.000 -1.026 0.000 0.810 494 A HN 0.412 nan 8.150 nan 0.000 0.448 495 E N 0.266 120.199 120.200 -0.445 0.000 2.338 495 E HA -0.083 4.272 4.350 0.008 0.000 0.197 495 E C 1.464 177.823 176.600 -0.402 0.000 1.007 495 E CA 0.853 56.895 56.400 -0.597 0.000 0.849 495 E CB -0.485 29.040 29.700 -0.292 0.000 0.774 495 E HN 0.625 nan 8.360 nan 0.000 0.506 496 L N 0.868 121.941 121.223 -0.250 0.000 2.551 496 L HA 0.085 4.430 4.340 0.008 0.000 0.228 496 L C 1.136 177.956 176.870 -0.083 0.000 1.153 496 L CA 0.490 55.255 54.840 -0.125 0.000 0.851 496 L CB -1.078 40.955 42.059 -0.044 0.000 0.959 496 L HN 0.374 nan 8.230 nan 0.000 0.451 497 G N -0.701 108.033 108.800 -0.111 0.000 2.781 497 G HA2 0.174 4.139 3.960 0.008 0.000 0.683 497 G HA3 0.174 4.139 3.960 0.008 0.000 0.683 497 G C 0.218 175.214 174.900 0.160 0.000 1.390 497 G CA -0.465 44.633 45.100 -0.003 0.000 0.850 497 G HN 0.718 nan 8.290 nan 0.000 0.557 498 G N -1.189 107.718 108.800 0.179 0.000 2.645 498 G HA2 0.181 4.146 3.960 0.008 0.000 0.239 498 G HA3 0.181 4.146 3.960 0.008 0.000 0.239 498 G C 0.967 176.018 174.900 0.252 0.000 1.331 498 G CA 1.339 46.551 45.100 0.186 0.000 0.890 498 G HN 2.508 nan 8.290 nan 0.000 0.572 499 I N -2.740 117.898 120.570 0.114 0.000 4.240 499 I HA 0.507 4.682 4.170 0.008 0.000 0.331 499 I C 1.589 177.609 176.117 -0.162 0.000 1.381 499 I CA 1.188 62.431 61.300 -0.095 0.000 1.136 499 I CB 0.797 38.825 38.000 0.046 0.000 1.137 499 I HN 0.616 nan 8.210 nan 0.000 0.411 500 E N 2.679 122.895 120.200 0.028 0.000 2.274 500 E HA -0.192 4.162 4.350 0.008 0.000 0.194 500 E C 1.914 178.540 176.600 0.042 0.000 0.996 500 E CA 1.503 57.945 56.400 0.070 0.000 0.840 500 E CB -0.542 29.222 29.700 0.106 0.000 0.772 500 E HN 0.737 nan 8.360 nan 0.000 0.491 501 W N 1.048 122.339 121.300 -0.015 0.000 2.392 501 W HA -0.062 4.603 4.660 0.008 0.000 0.279 501 W C 1.322 177.752 176.519 -0.148 0.000 1.225 501 W CA 0.513 57.827 57.345 -0.052 0.000 1.233 501 W CB -0.644 28.796 29.460 -0.034 0.000 1.122 501 W HN 0.067 nan 8.180 nan 0.000 0.561 502 I N 0.095 120.044 120.570 -1.036 0.000 2.233 502 I HA -0.252 3.923 4.170 0.008 0.000 0.243 502 I C 1.781 177.464 176.117 -0.722 0.000 1.093 502 I CA 1.535 62.057 61.300 -1.297 0.000 1.380 502 I CB -0.658 36.254 38.000 -1.813 0.000 1.067 502 I HN -0.177 nan 8.210 nan 0.000 0.413 503 Y N -0.090 120.122 120.300 -0.146 0.000 2.458 503 Y HA 0.198 4.753 4.550 0.008 0.000 0.256 503 Y C 2.256 178.167 175.900 0.019 0.000 1.159 503 Y CA -0.286 57.803 58.100 -0.018 0.000 1.261 503 Y CB -0.420 38.003 38.460 -0.061 0.000 1.119 503 Y HN -0.013 nan 8.280 nan 0.000 0.524 504 R N 1.016 121.582 120.500 0.110 0.000 2.103 504 R HA -0.163 4.182 4.340 0.008 0.000 0.242 504 R C 1.592 177.956 176.300 0.106 0.000 1.142 504 R CA 1.765 57.926 56.100 0.102 0.000 0.960 504 R CB 0.013 30.368 30.300 0.091 0.000 0.858 504 R HN 0.258 nan 8.270 nan 0.000 0.439 505 R N -1.752 118.829 120.500 0.134 0.000 2.300 505 R HA 0.121 4.466 4.340 0.008 0.000 0.199 505 R C -0.302 176.070 176.300 0.119 0.000 0.920 505 R CA 0.022 56.202 56.100 0.133 0.000 1.046 505 R CB 0.592 30.993 30.300 0.168 0.000 0.984 505 R HN 0.102 nan 8.270 nan 0.000 0.493 506 c N 1.828 120.513 118.600 0.142 0.000 2.789 506 c HA 0.357 4.932 4.570 0.008 0.000 0.367 506 c C -1.131 173.023 174.090 0.106 0.000 1.062 506 c CA -1.007 55.359 56.329 0.063 0.000 1.297 506 c CB 0.335 42.783 42.510 -0.104 0.000 1.794 506 c HN 0.138 nan 8.230 nan 0.000 0.474 507 K N 3.486 123.912 120.400 0.043 0.000 2.210 507 K HA 0.554 4.879 4.320 0.008 0.000 0.236 507 K C 0.561 177.150 176.600 -0.019 0.000 1.016 507 K CA -0.502 55.790 56.287 0.009 0.000 0.913 507 K CB 0.647 33.144 32.500 -0.004 0.000 1.141 507 K HN 0.751 nan 8.250 nan 0.000 0.462 508 N N -0.606 118.058 118.700 -0.060 0.000 2.909 508 N HA -0.178 4.567 4.740 0.008 0.000 0.242 508 N C -0.331 175.139 175.510 -0.067 0.000 0.975 508 N CA 0.640 53.661 53.050 -0.049 0.000 0.921 508 N CB -1.637 36.851 38.487 0.001 0.000 1.112 508 N HN 0.559 nan 8.380 nan 0.000 0.581 509 I N 2.341 122.827 120.570 -0.140 0.000 2.618 509 I HA 0.053 4.228 4.170 0.008 0.000 0.284 509 I C -1.573 174.315 176.117 -0.381 0.000 1.146 509 I CA -1.060 60.039 61.300 -0.336 0.000 1.425 509 I CB 0.215 38.033 38.000 -0.303 0.000 1.383 509 I HN -0.186 nan 8.210 nan 0.000 0.562 510 P HA -0.053 nan 4.420 nan 0.000 0.266 510 P C 0.410 177.544 177.300 -0.277 0.000 1.195 510 P CA -0.196 62.728 63.100 -0.293 0.000 0.768 510 P CB 0.526 32.087 31.700 -0.231 0.000 0.838 511 Q N 4.408 124.096 119.800 -0.187 0.000 2.096 511 Q HA -0.181 4.163 4.340 0.008 0.000 0.208 511 Q C -0.884 175.031 176.000 -0.142 0.000 0.993 511 Q CA 2.665 58.369 55.803 -0.165 0.000 0.862 511 Q CB -1.809 26.857 28.738 -0.121 0.000 0.915 511 Q HN 0.380 nan 8.270 nan 0.000 0.416 512 P HA -0.061 nan 4.420 nan 0.000 0.221 512 P C 1.647 178.884 177.300 -0.104 0.000 1.150 512 P CA 0.863 63.911 63.100 -0.087 0.000 0.800 512 P CB -0.136 31.532 31.700 -0.052 0.000 0.787 513 V N 0.704 120.516 119.914 -0.171 0.000 2.358 513 V HA -0.182 3.943 4.120 0.008 0.000 0.246 513 V C 2.741 178.739 176.094 -0.159 0.000 1.047 513 V CA 1.617 63.797 62.300 -0.199 0.000 1.035 513 V CB -1.011 30.518 31.823 -0.491 0.000 0.658 513 V HN 0.062 nan 8.190 nan 0.000 0.452 514 R N 0.301 120.700 120.500 -0.168 0.000 2.091 514 R HA -0.166 4.179 4.340 0.008 0.000 0.238 514 R C 2.463 178.736 176.300 -0.045 0.000 1.136 514 R CA 1.586 57.651 56.100 -0.058 0.000 0.959 514 R CB -0.689 29.507 30.300 -0.172 0.000 0.856 514 R HN 0.538 nan 8.270 nan 0.000 0.437 515 A N 1.308 124.071 122.820 -0.094 0.000 1.908 515 A HA -0.141 4.184 4.320 0.008 0.000 0.218 515 A C 2.232 179.714 177.584 -0.171 0.000 1.181 515 A CA 1.218 53.195 52.037 -0.101 0.000 0.627 515 A CB -0.520 18.427 19.000 -0.088 0.000 0.818 515 A HN 0.173 nan 8.150 nan 0.000 0.445 516 L N -1.330 119.761 121.223 -0.221 0.000 2.027 516 L HA -0.138 4.207 4.340 0.008 0.000 0.206 516 L C 2.497 178.978 176.870 -0.649 0.000 1.074 516 L CA 0.688 55.237 54.840 -0.485 0.000 0.745 516 L CB -0.519 41.352 42.059 -0.314 0.000 0.898 516 L HN 0.327 nan 8.230 nan 0.000 0.433 517 L N 0.274 121.365 121.223 -0.220 0.000 2.013 517 L HA -0.260 4.085 4.340 0.008 0.000 0.212 517 L C 2.443 179.254 176.870 -0.099 0.000 1.073 517 L CA 1.881 56.696 54.840 -0.042 0.000 0.753 517 L CB -0.655 41.413 42.059 0.015 0.000 0.890 517 L HN 0.259 nan 8.230 nan 0.000 0.432 518 E N -1.578 118.559 120.200 -0.105 0.000 2.150 518 E HA -0.114 4.241 4.350 0.008 0.000 0.193 518 E C 2.079 178.660 176.600 -0.031 0.000 0.985 518 E CA 0.809 57.172 56.400 -0.061 0.000 0.814 518 E CB -0.385 29.306 29.700 -0.014 0.000 0.752 518 E HN 0.617 nan 8.360 nan 0.000 0.466 519 G N 0.392 109.112 108.800 -0.133 0.000 2.403 519 G HA2 -0.201 3.764 3.960 0.008 0.000 0.216 519 G HA3 -0.201 3.764 3.960 0.008 0.000 0.216 519 G C 1.080 176.001 174.900 0.034 0.000 1.154 519 G CA 0.268 45.306 45.100 -0.103 0.000 0.784 519 G HN 0.123 nan 8.290 nan 0.000 0.538 520 F N 0.400 120.378 119.950 0.045 0.000 2.325 520 F HA 0.264 4.796 4.527 0.008 0.000 0.299 520 F C 2.006 177.844 175.800 0.064 0.000 1.090 520 F CA 0.163 58.189 58.000 0.043 0.000 1.392 520 F CB -0.218 38.779 39.000 -0.006 0.000 1.053 520 F HN 0.014 nan 8.300 nan 0.000 0.521 521 L N 0.134 121.471 121.223 0.190 0.000 2.928 521 L HA 0.196 4.541 4.340 0.008 0.000 0.246 521 L C 0.390 177.553 176.870 0.488 0.000 1.239 521 L CA -0.336 54.581 54.840 0.129 0.000 1.035 521 L CB -0.225 41.731 42.059 -0.173 0.000 1.360 521 L HN -0.219 nan 8.230 nan 0.000 0.529 522 R N -0.372 120.377 120.500 0.415 0.000 2.640 522 R HA -0.102 4.242 4.340 0.008 0.000 0.270 522 R C 0.807 177.395 176.300 0.479 0.000 1.024 522 R CA 0.134 56.473 56.100 0.399 0.000 1.085 522 R CB 0.345 30.802 30.300 0.261 0.000 0.963 522 R HN 0.082 nan 8.270 nan 0.000 0.426 523 Y N 1.782 122.251 120.300 0.283 0.000 2.114 523 Y HA -0.138 4.417 4.550 0.008 0.000 0.284 523 Y C 0.494 176.412 175.900 0.030 0.000 1.143 523 Y CA 1.540 59.720 58.100 0.133 0.000 1.135 523 Y CB 0.343 38.841 38.460 0.063 0.000 0.980 523 Y HN 0.440 nan 8.280 nan 0.000 0.499 524 S N 1.938 117.712 115.700 0.123 0.000 2.523 524 S HA 0.084 4.559 4.470 0.008 0.000 0.275 524 S C 1.127 175.741 174.600 0.024 0.000 1.281 524 S CA -0.316 57.896 58.200 0.020 0.000 1.050 524 S CB 1.249 64.510 63.200 0.103 0.000 0.937 524 S HN 0.471 nan 8.310 nan 0.000 0.492 525 K N 2.985 123.368 120.400 -0.029 0.000 2.097 525 K HA -0.157 4.168 4.320 0.008 0.000 0.206 525 K C 1.489 178.137 176.600 0.080 0.000 1.049 525 K CA 1.433 57.733 56.287 0.023 0.000 0.933 525 K CB -0.160 32.337 32.500 -0.006 0.000 0.717 525 K HN 0.669 nan 8.250 nan 0.000 0.442 526 E N 1.337 121.577 120.200 0.067 0.000 2.347 526 E HA -0.182 4.173 4.350 0.008 0.000 0.196 526 E C 0.547 177.203 176.600 0.093 0.000 1.008 526 E CA 1.106 57.555 56.400 0.080 0.000 0.852 526 E CB -0.084 29.653 29.700 0.062 0.000 0.783 526 E HN 0.369 nan 8.360 nan 0.000 0.505 527 D N 0.917 121.378 120.400 0.103 0.000 2.348 527 D HA 0.051 4.696 4.640 0.008 0.000 0.211 527 D C 0.265 176.644 176.300 0.131 0.000 0.998 527 D CA 0.151 54.218 54.000 0.112 0.000 0.873 527 D CB 0.048 40.921 40.800 0.122 0.000 0.925 527 D HN 0.134 nan 8.370 nan 0.000 0.524 528 R N 0.758 121.353 120.500 0.160 0.000 2.491 528 R HA 0.158 4.503 4.340 0.008 0.000 0.283 528 R C -0.013 176.396 176.300 0.182 0.000 1.072 528 R CA -0.671 55.549 56.100 0.200 0.000 1.048 528 R CB 0.725 31.176 30.300 0.252 0.000 0.983 528 R HN -0.019 nan 8.270 nan 0.000 0.450 529 L N 4.947 126.280 121.223 0.182 0.000 2.500 529 L HA 0.096 4.441 4.340 0.008 0.000 0.272 529 L C -0.570 176.473 176.870 0.288 0.000 1.149 529 L CA 0.618 55.554 54.840 0.161 0.000 0.897 529 L CB 0.151 42.219 42.059 0.015 0.000 1.178 529 L HN 0.435 nan 8.230 nan 0.000 0.473 530 L N 7.679 129.013 121.223 0.184 0.000 2.436 530 L HA 0.251 4.596 4.340 0.008 0.000 0.265 530 L C -1.200 175.749 176.870 0.131 0.000 1.168 530 L CA -1.571 53.351 54.840 0.137 0.000 0.815 530 L CB 0.273 42.361 42.059 0.048 0.000 1.109 530 L HN 0.497 nan 8.230 nan 0.000 0.462 531 P HA -0.140 nan 4.420 nan 0.000 0.216 531 P C 1.687 178.968 177.300 -0.031 0.000 1.150 531 P CA 1.237 64.345 63.100 0.014 0.000 0.837 531 P CB 0.242 31.876 31.700 -0.111 0.000 0.786 532 L N -1.043 120.136 121.223 -0.074 0.000 2.093 532 L HA -0.198 4.147 4.340 0.008 0.000 0.208 532 L C 2.572 179.394 176.870 -0.081 0.000 1.085 532 L CA 1.528 56.313 54.840 -0.091 0.000 0.755 532 L CB -0.848 41.154 42.059 -0.094 0.000 0.904 532 L HN 0.018 nan 8.230 nan 0.000 0.435 533 Q N -0.384 119.392 119.800 -0.039 0.000 2.119 533 Q HA -0.150 4.195 4.340 0.008 0.000 0.201 533 Q C 2.476 178.456 176.000 -0.034 0.000 0.972 533 Q CA 1.353 57.142 55.803 -0.023 0.000 0.847 533 Q CB -0.300 28.445 28.738 0.012 0.000 0.903 533 Q HN 0.539 nan 8.270 nan 0.000 0.433 534 A N 1.320 124.143 122.820 0.004 0.000 1.892 534 A HA -0.233 4.092 4.320 0.008 0.000 0.218 534 A C 2.088 179.560 177.584 -0.187 0.000 1.188 534 A CA 1.715 53.752 52.037 -0.000 0.000 0.631 534 A CB -0.644 18.501 19.000 0.242 0.000 0.822 534 A HN 0.330 nan 8.150 nan 0.000 0.447 535 M N -0.858 118.494 119.600 -0.412 0.000 2.346 535 M HA -0.156 4.329 4.480 0.008 0.000 0.263 535 M C 1.512 177.585 176.300 -0.379 0.000 1.064 535 M CA 1.337 56.113 55.300 -0.873 0.000 1.083 535 M CB -0.347 31.872 32.600 -0.636 0.000 1.399 535 M HN 0.486 nan 8.290 nan 0.000 0.435 536 E N -0.167 119.934 120.200 -0.164 0.000 2.474 536 E HA -0.004 4.351 4.350 0.008 0.000 0.194 536 E C 0.739 177.339 176.600 0.001 0.000 1.041 536 E CA 0.274 56.642 56.400 -0.054 0.000 0.874 536 E CB 0.240 29.915 29.700 -0.042 0.000 0.914 536 E HN 0.479 nan 8.360 nan 0.000 0.498 537 T N -1.305 113.259 114.554 0.016 0.000 2.882 537 T HA 0.084 4.439 4.350 0.008 0.000 0.287 537 T C 1.458 176.208 174.700 0.082 0.000 1.014 537 T CA -0.167 61.957 62.100 0.040 0.000 1.049 537 T CB 1.707 70.590 68.868 0.025 0.000 1.001 537 T HN -0.027 nan 8.240 nan 0.000 0.525 538 S N 0.494 116.224 115.700 0.050 0.000 2.423 538 S HA -0.106 4.369 4.470 0.008 0.000 0.231 538 S C 1.528 176.158 174.600 0.050 0.000 1.014 538 S CA 0.724 58.952 58.200 0.047 0.000 0.965 538 S CB -0.582 62.632 63.200 0.022 0.000 0.785 538 S HN 0.804 nan 8.310 nan 0.000 0.495 539 E N 0.516 120.744 120.200 0.047 0.000 2.107 539 E HA -0.006 4.349 4.350 0.008 0.000 0.191 539 E C 1.674 178.315 176.600 0.069 0.000 0.982 539 E CA 1.081 57.501 56.400 0.033 0.000 0.809 539 E CB -0.469 29.231 29.700 0.000 0.000 0.756 539 E HN 0.752 nan 8.360 nan 0.000 0.459 540 Y N 1.303 121.603 120.300 -0.001 0.000 2.200 540 Y HA -0.222 4.332 4.550 0.008 0.000 0.290 540 Y C 2.252 178.166 175.900 0.024 0.000 1.137 540 Y CA 1.765 59.880 58.100 0.024 0.000 1.163 540 Y CB 0.120 38.601 38.460 0.036 0.000 0.988 540 Y HN -0.035 nan 8.280 nan 0.000 0.518 541 E N 0.470 120.763 120.200 0.154 0.000 2.110 541 E HA -0.233 4.122 4.350 0.008 0.000 0.193 541 E C 2.127 178.713 176.600 -0.024 0.000 0.988 541 E CA 1.770 58.205 56.400 0.058 0.000 0.804 541 E CB -0.314 29.439 29.700 0.088 0.000 0.745 541 E HN 0.625 nan 8.360 nan 0.000 0.458 542 Q N -0.239 119.554 119.800 -0.011 0.000 2.077 542 Q HA -0.180 4.165 4.340 0.008 0.000 0.206 542 Q C 2.378 178.352 176.000 -0.044 0.000 0.989 542 Q CA 1.749 57.540 55.803 -0.020 0.000 0.853 542 Q CB -0.243 28.489 28.738 -0.009 0.000 0.907 542 Q HN 0.363 nan 8.270 nan 0.000 0.418 543 L N -0.054 121.118 121.223 -0.085 0.000 2.012 543 L HA -0.233 4.112 4.340 0.008 0.000 0.210 543 L C 2.591 179.370 176.870 -0.151 0.000 1.073 543 L CA 1.148 55.923 54.840 -0.108 0.000 0.748 543 L CB -0.421 41.539 42.059 -0.165 0.000 0.891 543 L HN 0.143 nan 8.230 nan 0.000 0.431 544 R N -0.023 120.325 120.500 -0.252 0.000 2.091 544 R HA -0.125 4.220 4.340 0.008 0.000 0.238 544 R C 2.320 178.563 176.300 -0.095 0.000 1.136 544 R CA 1.974 57.952 56.100 -0.204 0.000 0.959 544 R CB -1.009 29.162 30.300 -0.215 0.000 0.856 544 R HN 0.283 nan 8.270 nan 0.000 0.437 545 T N 0.104 114.620 114.554 -0.063 0.000 2.777 545 T HA -0.138 4.217 4.350 0.008 0.000 0.266 545 T C 1.572 176.257 174.700 -0.025 0.000 1.040 545 T CA 1.446 63.527 62.100 -0.032 0.000 1.141 545 T CB -0.192 68.667 68.868 -0.016 0.000 0.868 545 T HN 0.427 nan 8.240 nan 0.000 0.444 546 E N 0.686 120.877 120.200 -0.016 0.000 2.058 546 E HA -0.126 4.229 4.350 0.008 0.000 0.194 546 E C 2.214 178.797 176.600 -0.029 0.000 0.997 546 E CA 0.821 57.226 56.400 0.007 0.000 0.801 546 E CB -0.207 29.530 29.700 0.062 0.000 0.746 546 E HN 0.290 nan 8.360 nan 0.000 0.450 547 L N 0.769 121.962 121.223 -0.050 0.000 1.989 547 L HA -0.187 4.158 4.340 0.008 0.000 0.211 547 L C 2.389 179.213 176.870 -0.078 0.000 1.071 547 L CA 1.916 56.704 54.840 -0.086 0.000 0.749 547 L CB -0.730 41.274 42.059 -0.091 0.000 0.890 547 L HN 0.210 nan 8.230 nan 0.000 0.431 548 S N 0.149 115.816 115.700 -0.056 0.000 2.365 548 S HA -0.216 4.259 4.470 0.008 0.000 0.225 548 S C 2.060 176.642 174.600 -0.029 0.000 1.039 548 S CA 1.432 59.609 58.200 -0.037 0.000 1.033 548 S CB -0.385 62.798 63.200 -0.027 0.000 0.887 548 S HN 0.658 nan 8.310 nan 0.000 0.447 549 A N 0.993 123.795 122.820 -0.030 0.000 1.933 549 A HA -0.059 4.266 4.320 0.008 0.000 0.218 549 A C 2.341 179.909 177.584 -0.026 0.000 1.175 549 A CA 1.742 53.767 52.037 -0.020 0.000 0.628 549 A CB -0.744 18.249 19.000 -0.011 0.000 0.814 549 A HN 0.598 nan 8.150 nan 0.000 0.444 550 V N -2.981 116.897 119.914 -0.060 0.000 3.235 550 V HA 0.098 4.223 4.120 0.008 0.000 0.259 550 V C 2.021 178.147 176.094 0.054 0.000 1.133 550 V CA 0.914 63.171 62.300 -0.071 0.000 1.128 550 V CB -0.699 30.922 31.823 -0.338 0.000 0.757 550 V HN 0.401 nan 8.190 nan 0.000 0.469 551 L N 0.278 121.526 121.223 0.042 0.000 2.127 551 L HA -0.049 4.296 4.340 0.008 0.000 0.211 551 L C 0.073 177.015 176.870 0.120 0.000 1.089 551 L CA 1.804 56.706 54.840 0.103 0.000 0.757 551 L CB -1.655 40.412 42.059 0.013 0.000 0.899 551 L HN 0.389 nan 8.230 nan 0.000 0.434 552 P HA -0.135 nan 4.420 nan 0.000 0.225 552 P C 1.750 179.052 177.300 0.004 0.000 1.148 552 P CA 1.073 64.189 63.100 0.028 0.000 0.779 552 P CB 0.085 31.790 31.700 0.007 0.000 0.780 553 L N -2.778 118.428 121.223 -0.027 0.000 2.275 553 L HA -0.130 4.215 4.340 0.008 0.000 0.215 553 L C 1.564 178.259 176.870 -0.291 0.000 1.119 553 L CA 1.285 56.023 54.840 -0.170 0.000 0.790 553 L CB -0.700 41.208 42.059 -0.252 0.000 0.919 553 L HN 0.035 nan 8.230 nan 0.000 0.443 554 Y N -0.339 119.955 120.300 -0.011 0.000 2.457 554 Y HA 0.061 4.616 4.550 0.008 0.000 0.263 554 Y C 1.254 177.148 175.900 -0.009 0.000 1.164 554 Y CA -0.628 57.467 58.100 -0.008 0.000 1.274 554 Y CB -0.101 38.347 38.460 -0.020 0.000 1.097 554 Y HN 0.296 nan 8.280 nan 0.000 0.523 555 Q N -0.987 118.864 119.800 0.084 0.000 2.306 555 Q HA 0.237 4.582 4.340 0.008 0.000 0.241 555 Q C 0.176 176.194 176.000 0.029 0.000 0.948 555 Q CA 0.004 55.839 55.803 0.053 0.000 0.886 555 Q CB 1.043 29.802 28.738 0.035 0.000 1.227 555 Q HN 0.022 nan 8.270 nan 0.000 0.457 556 T N 0.669 115.240 114.554 0.028 0.000 3.069 556 T HA 0.032 4.387 4.350 0.008 0.000 0.252 556 T C -0.776 173.932 174.700 0.013 0.000 1.053 556 T CA 0.369 62.481 62.100 0.020 0.000 0.964 556 T CB -0.322 68.561 68.868 0.025 0.000 1.005 556 T HN 0.935 nan 8.240 nan 0.000 0.532 557 D N 0.000 120.408 120.400 0.013 0.000 6.856 557 D HA 0.000 4.645 4.640 0.008 0.000 0.175 557 D CA 0.000 54.005 54.000 0.009 0.000 0.868 557 D CB 0.000 40.803 40.800 0.005 0.000 0.688 557 D HN 0.000 nan 8.370 nan 0.000 0.683