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 2zr1_1_A DATA FIRST_RESID 1 DATA SEQUENCE QDPIKFTTGS ATPASYNQFI DALRERLTGG LIYGIPVLRD PSTVEKPNQY DATA SEQUENCE VTVELSYSDT VSIQLGIDLT NAYVVAYRAG SESFFFRNAP ASASTYLFTG DATA SEQUENCE TQQYSLPFDG NYDDLEKWAH QSRQRISLGL EALRQGIKFL RSGASDDEEI DATA SEQUENCE ARTLIVIIQM VAEAARFRYV SKLVVISLSN RAAFQPDPSM LSLENTWEPL DATA SEQUENCE SRAVQHTVQD TFPQNVTLIN VRQERVVVSS LSHPSVSALA LMLFVCNPLN VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 Q HA 0.000 nan 4.340 nan 0.000 0.214 1 Q C 0.000 176.012 176.000 0.020 0.000 1.003 1 Q CA 0.000 55.812 55.803 0.015 0.000 1.022 1 Q CB 0.000 28.747 28.738 0.015 0.000 1.108 2 D N 3.567 123.984 120.400 0.027 0.000 2.357 2 D HA 0.230 4.870 4.640 -0.000 0.000 0.242 2 D C -1.735 174.590 176.300 0.042 0.000 1.153 2 D CA -0.980 53.040 54.000 0.034 0.000 0.918 2 D CB 0.569 41.392 40.800 0.038 0.000 1.181 2 D HN 0.026 nan 8.370 nan 0.000 0.435 3 P HA 0.167 nan 4.420 nan 0.000 0.269 3 P C 0.269 177.622 177.300 0.087 0.000 1.209 3 P CA -0.293 62.842 63.100 0.059 0.000 0.776 3 P CB 0.660 32.394 31.700 0.057 0.000 0.876 4 I N 1.805 122.435 120.570 0.101 0.000 2.821 4 I HA -0.035 4.135 4.170 -0.000 0.000 0.294 4 I C 1.201 177.472 176.117 0.256 0.000 1.210 4 I CA 0.797 62.195 61.300 0.164 0.000 1.430 4 I CB -0.229 37.846 38.000 0.125 0.000 1.356 4 I HN 0.341 nan 8.210 nan 0.000 0.563 5 K N 6.663 127.233 120.400 0.283 0.000 2.435 5 K HA 0.474 4.794 4.320 -0.000 0.000 0.251 5 K C -1.828 174.871 176.600 0.165 0.000 0.954 5 K CA -0.666 55.751 56.287 0.216 0.000 0.820 5 K CB 2.238 34.811 32.500 0.121 0.000 1.292 5 K HN 0.356 nan 8.250 nan 0.000 0.436 6 F N 2.218 121.975 119.950 -0.322 0.000 2.496 6 F HA 0.339 4.866 4.527 -0.000 0.000 0.341 6 F C -0.903 174.743 175.800 -0.257 0.000 1.134 6 F CA -0.652 57.005 58.000 -0.571 0.000 0.968 6 F CB 1.583 39.718 39.000 -1.442 0.000 1.205 6 F HN 0.351 nan 8.300 nan 0.000 0.436 7 T N 4.302 118.706 114.554 -0.250 0.000 2.992 7 T HA 0.103 4.453 4.350 -0.000 0.000 0.299 7 T C 1.570 175.917 174.700 -0.589 0.000 1.027 7 T CA 0.446 62.360 62.100 -0.310 0.000 1.001 7 T CB 0.154 68.953 68.868 -0.115 0.000 1.005 7 T HN 0.731 nan 8.240 nan 0.000 0.599 8 T N 0.195 114.290 114.554 -0.765 0.000 2.962 8 T HA -0.035 4.315 4.350 -0.000 0.000 0.270 8 T C 2.370 176.827 174.700 -0.405 0.000 1.088 8 T CA 0.951 62.602 62.100 -0.748 0.000 1.127 8 T CB -0.332 68.195 68.868 -0.569 0.000 0.883 8 T HN 0.542 nan 8.240 nan 0.000 0.493 9 G N 1.300 109.898 108.800 -0.336 0.000 2.498 9 G HA2 -0.010 3.950 3.960 -0.000 0.000 0.219 9 G HA3 -0.010 3.950 3.960 -0.000 0.000 0.219 9 G C 1.299 176.092 174.900 -0.178 0.000 1.119 9 G CA 0.814 45.751 45.100 -0.271 0.000 0.766 9 G HN 0.804 nan 8.290 nan 0.000 0.552 10 S N -1.271 114.338 115.700 -0.151 0.000 3.021 10 S HA 0.674 5.143 4.470 -0.000 0.000 0.252 10 S C 0.617 175.204 174.600 -0.022 0.000 0.996 10 S CA 0.194 58.350 58.200 -0.072 0.000 1.084 10 S CB 0.424 63.597 63.200 -0.045 0.000 1.021 10 S HN 0.544 nan 8.310 nan 0.000 0.566 11 A N 2.132 124.924 122.820 -0.046 0.000 2.531 11 A HA 0.559 4.879 4.320 -0.000 0.000 0.236 11 A C 0.740 178.400 177.584 0.127 0.000 1.062 11 A CA 0.633 52.734 52.037 0.107 0.000 0.760 11 A CB -0.138 18.924 19.000 0.104 0.000 0.995 11 A HN 1.119 nan 8.150 nan 0.000 0.501 12 T N -0.909 113.763 114.554 0.197 0.000 2.821 12 T HA 0.600 4.950 4.350 -0.000 0.000 0.306 12 T C -2.594 172.209 174.700 0.171 0.000 1.313 12 T CA -1.228 60.953 62.100 0.135 0.000 1.012 12 T CB 1.448 70.374 68.868 0.097 0.000 1.298 12 T HN 0.162 nan 8.240 nan 0.000 0.502 13 P HA -0.048 nan 4.420 nan 0.000 0.216 13 P C 1.544 178.934 177.300 0.150 0.000 1.150 13 P CA 1.795 64.972 63.100 0.127 0.000 0.843 13 P CB -0.177 31.566 31.700 0.070 0.000 0.787 14 A N -0.256 122.634 122.820 0.117 0.000 1.872 14 A HA -0.134 4.186 4.320 -0.000 0.000 0.214 14 A C 2.380 180.035 177.584 0.119 0.000 1.187 14 A CA 2.030 54.125 52.037 0.097 0.000 0.614 14 A CB -1.514 17.529 19.000 0.072 0.000 0.826 14 A HN 0.310 nan 8.150 nan 0.000 0.442 15 S N -1.382 114.415 115.700 0.162 0.000 2.382 15 S HA -0.232 4.237 4.470 -0.000 0.000 0.228 15 S C 1.961 176.690 174.600 0.215 0.000 1.027 15 S CA 1.491 59.811 58.200 0.200 0.000 0.991 15 S CB -0.857 62.494 63.200 0.251 0.000 0.823 15 S HN 0.606 nan 8.310 nan 0.000 0.469 16 Y N 3.357 123.714 120.300 0.095 0.000 2.145 16 Y HA -0.080 4.470 4.550 -0.000 0.000 0.286 16 Y C 2.226 178.094 175.900 -0.054 0.000 1.145 16 Y CA 1.820 59.844 58.100 -0.126 0.000 1.148 16 Y CB -0.760 37.663 38.460 -0.061 0.000 0.981 16 Y HN 0.194 nan 8.280 nan 0.000 0.507 17 N N 0.405 119.086 118.700 -0.032 0.000 2.166 17 N HA -0.188 4.552 4.740 -0.000 0.000 0.186 17 N C 1.751 177.172 175.510 -0.149 0.000 1.019 17 N CA 1.684 54.653 53.050 -0.135 0.000 0.856 17 N CB -0.372 38.114 38.487 -0.001 0.000 0.993 17 N HN 0.607 nan 8.380 nan 0.000 0.426 18 Q N -0.623 119.148 119.800 -0.049 0.000 2.124 18 Q HA -0.130 4.210 4.340 -0.000 0.000 0.202 18 Q C 1.776 177.750 176.000 -0.044 0.000 0.977 18 Q CA 0.976 56.766 55.803 -0.023 0.000 0.850 18 Q CB -0.221 28.543 28.738 0.043 0.000 0.901 18 Q HN 0.360 nan 8.270 nan 0.000 0.429 19 F N 1.521 121.327 119.950 -0.241 0.000 2.075 19 F HA -0.230 4.297 4.527 -0.000 0.000 0.297 19 F C 1.838 177.443 175.800 -0.324 0.000 1.113 19 F CA 1.111 58.941 58.000 -0.282 0.000 1.218 19 F CB -0.236 38.474 39.000 -0.484 0.000 0.984 19 F HN -0.051 nan 8.300 nan 0.000 0.472 20 I N 1.043 121.155 120.570 -0.764 0.000 2.163 20 I HA -0.282 3.888 4.170 -0.000 0.000 0.243 20 I C 2.096 177.946 176.117 -0.445 0.000 1.085 20 I CA 1.549 62.405 61.300 -0.741 0.000 1.347 20 I CB -1.554 36.079 38.000 -0.613 0.000 1.044 20 I HN 0.208 nan 8.210 nan 0.000 0.408 21 D N 1.193 121.416 120.400 -0.296 0.000 2.117 21 D HA -0.135 4.505 4.640 -0.000 0.000 0.197 21 D C 2.256 178.451 176.300 -0.174 0.000 0.987 21 D CA 1.585 55.473 54.000 -0.186 0.000 0.829 21 D CB -0.055 40.675 40.800 -0.116 0.000 0.961 21 D HN 0.332 nan 8.370 nan 0.000 0.460 22 A N 0.921 123.630 122.820 -0.184 0.000 1.902 22 A HA -0.142 4.178 4.320 -0.000 0.000 0.217 22 A C 2.168 179.647 177.584 -0.174 0.000 1.181 22 A CA 0.931 52.887 52.037 -0.135 0.000 0.623 22 A CB -0.624 18.329 19.000 -0.079 0.000 0.818 22 A HN 0.218 nan 8.150 nan 0.000 0.443 23 L N -0.228 120.812 121.223 -0.305 0.000 2.056 23 L HA -0.079 4.261 4.340 -0.000 0.000 0.207 23 L C 2.412 179.161 176.870 -0.200 0.000 1.078 23 L CA 1.850 56.517 54.840 -0.288 0.000 0.749 23 L CB -0.624 41.148 42.059 -0.478 0.000 0.901 23 L HN 0.342 nan 8.230 nan 0.000 0.433 24 R N -0.475 119.902 120.500 -0.205 0.000 2.073 24 R HA -0.197 4.142 4.340 -0.000 0.000 0.234 24 R C 2.257 178.499 176.300 -0.096 0.000 1.134 24 R CA 1.634 57.650 56.100 -0.139 0.000 0.952 24 R CB -0.476 29.747 30.300 -0.128 0.000 0.850 24 R HN 0.537 nan 8.270 nan 0.000 0.433 25 E N 0.715 120.859 120.200 -0.094 0.000 2.085 25 E HA -0.280 4.070 4.350 -0.000 0.000 0.194 25 E C 2.045 178.610 176.600 -0.058 0.000 0.994 25 E CA 1.342 57.703 56.400 -0.065 0.000 0.801 25 E CB 0.056 29.721 29.700 -0.060 0.000 0.743 25 E HN 0.014 nan 8.360 nan 0.000 0.453 26 R N 0.413 120.873 120.500 -0.067 0.000 2.115 26 R HA -0.020 4.320 4.340 -0.000 0.000 0.230 26 R C 2.111 178.381 176.300 -0.050 0.000 1.111 26 R CA 1.080 57.148 56.100 -0.053 0.000 0.976 26 R CB -0.250 30.018 30.300 -0.053 0.000 0.870 26 R HN 0.271 nan 8.270 nan 0.000 0.445 27 L N -0.093 121.095 121.223 -0.057 0.000 2.509 27 L HA 0.143 4.483 4.340 -0.000 0.000 0.222 27 L C 0.172 177.024 176.870 -0.031 0.000 1.123 27 L CA 0.168 54.981 54.840 -0.044 0.000 0.856 27 L CB -0.037 41.992 42.059 -0.050 0.000 0.985 27 L HN 0.003 nan 8.230 nan 0.000 0.456 28 T N 0.312 114.845 114.554 -0.035 0.000 2.769 28 T HA 0.146 4.496 4.350 -0.000 0.000 0.293 28 T C 1.212 175.894 174.700 -0.030 0.000 0.931 28 T CA 0.248 62.333 62.100 -0.026 0.000 1.139 28 T CB 1.467 70.318 68.868 -0.028 0.000 0.881 28 T HN 0.354 nan 8.240 nan 0.000 0.532 29 G N 2.069 110.853 108.800 -0.027 0.000 2.492 29 G HA2 0.513 4.473 3.960 -0.000 0.000 0.214 29 G HA3 0.513 4.473 3.960 -0.000 0.000 0.214 29 G C 0.634 175.510 174.900 -0.040 0.000 1.147 29 G CA 0.294 45.366 45.100 -0.048 0.000 0.809 29 G HN 0.983 nan 8.290 nan 0.000 0.533 30 G N -1.181 107.608 108.800 -0.018 0.000 2.500 30 G HA2 0.469 4.429 3.960 -0.000 0.000 0.299 30 G HA3 0.469 4.429 3.960 -0.000 0.000 0.299 30 G C -2.367 172.527 174.900 -0.010 0.000 1.242 30 G CA -0.573 44.518 45.100 -0.016 0.000 0.859 30 G HN 0.256 nan 8.290 nan 0.000 0.481 31 L N 0.088 121.300 121.223 -0.018 0.000 2.431 31 L HA 0.761 5.101 4.340 -0.000 0.000 0.266 31 L C -0.846 175.985 176.870 -0.065 0.000 0.978 31 L CA -0.471 54.354 54.840 -0.025 0.000 0.822 31 L CB 1.949 44.000 42.059 -0.013 0.000 1.310 31 L HN 0.522 nan 8.230 nan 0.000 0.409 32 I N 3.913 124.427 120.570 -0.093 0.000 2.478 32 I HA 0.301 4.471 4.170 -0.000 0.000 0.287 32 I C -0.729 175.296 176.117 -0.153 0.000 1.042 32 I CA -0.652 60.499 61.300 -0.247 0.000 1.067 32 I CB 1.361 39.163 38.000 -0.329 0.000 1.233 32 I HN 0.570 nan 8.210 nan 0.000 0.431 33 Y N 4.863 125.167 120.300 0.006 0.000 3.305 33 Y HA -0.292 4.258 4.550 -0.000 0.000 0.212 33 Y C 1.576 177.490 175.900 0.024 0.000 1.248 33 Y CA 0.442 58.553 58.100 0.018 0.000 1.359 33 Y CB -1.394 37.084 38.460 0.031 0.000 1.407 33 Y HN 1.019 nan 8.280 nan 0.000 0.572 34 G N -0.069 108.805 108.800 0.123 0.000 2.168 34 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.263 34 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.263 34 G C -0.020 174.921 174.900 0.069 0.000 0.977 34 G CA 0.378 45.529 45.100 0.084 0.000 0.659 34 G HN 0.548 nan 8.290 nan 0.000 0.533 35 I N 1.317 121.926 120.570 0.066 0.000 2.362 35 I HA 0.299 4.469 4.170 -0.000 0.000 0.289 35 I C -2.173 173.956 176.117 0.020 0.000 0.994 35 I CA -2.554 58.777 61.300 0.051 0.000 1.158 35 I CB 1.969 40.011 38.000 0.069 0.000 1.315 35 I HN -0.197 nan 8.210 nan 0.000 0.451 36 P HA -0.044 nan 4.420 nan 0.000 0.264 36 P C -0.750 176.557 177.300 0.012 0.000 1.183 36 P CA 0.187 63.291 63.100 0.007 0.000 0.763 36 P CB 0.720 32.421 31.700 0.002 0.000 0.807 37 V N 5.506 125.429 119.914 0.015 0.000 2.656 37 V HA 0.318 4.438 4.120 -0.000 0.000 0.307 37 V C -0.493 175.635 176.094 0.056 0.000 1.051 37 V CA -1.118 61.204 62.300 0.038 0.000 0.893 37 V CB 1.770 33.625 31.823 0.053 0.000 0.999 37 V HN 0.214 nan 8.190 nan 0.000 0.426 38 L N 5.426 126.697 121.223 0.080 0.000 2.499 38 L HA 0.299 4.639 4.340 -0.000 0.000 0.281 38 L C 1.096 177.983 176.870 0.028 0.000 1.234 38 L CA 0.777 55.657 54.840 0.067 0.000 0.839 38 L CB -0.077 42.051 42.059 0.115 0.000 1.104 38 L HN 0.688 nan 8.230 nan 0.000 0.500 39 R N 1.259 121.731 120.500 -0.046 0.000 2.698 39 R HA -0.031 4.309 4.340 -0.000 0.000 0.266 39 R C -0.270 175.864 176.300 -0.276 0.000 1.026 39 R CA -0.310 55.701 56.100 -0.148 0.000 1.102 39 R CB 0.116 30.336 30.300 -0.133 0.000 0.978 39 R HN 0.525 nan 8.270 nan 0.000 0.436 40 D N 3.497 123.557 120.400 -0.567 0.000 2.382 40 D HA 0.015 4.655 4.640 -0.000 0.000 0.259 40 D C -1.664 174.391 176.300 -0.409 0.000 1.224 40 D CA -1.962 51.476 54.000 -0.936 0.000 0.894 40 D CB 1.224 41.338 40.800 -1.143 0.000 1.127 40 D HN 0.189 nan 8.370 nan 0.000 0.487 41 P HA -0.149 nan 4.420 nan 0.000 0.216 41 P C 0.425 177.656 177.300 -0.116 0.000 1.154 41 P CA 1.319 64.350 63.100 -0.115 0.000 0.865 41 P CB 0.049 31.735 31.700 -0.024 0.000 0.789 42 S N -2.536 113.090 115.700 -0.123 0.000 2.994 42 S HA 0.213 4.683 4.470 -0.000 0.000 0.247 42 S C 0.586 175.111 174.600 -0.124 0.000 1.323 42 S CA 0.090 58.234 58.200 -0.094 0.000 1.246 42 S CB -0.921 62.244 63.200 -0.059 0.000 0.994 42 S HN 0.015 nan 8.310 nan 0.000 0.484 43 T N -0.035 114.433 114.554 -0.143 0.000 3.123 43 T HA 0.163 4.513 4.350 -0.000 0.000 0.266 43 T C 0.113 174.737 174.700 -0.128 0.000 0.873 43 T CA 0.269 62.283 62.100 -0.144 0.000 0.854 43 T CB 0.666 69.415 68.868 -0.199 0.000 1.254 43 T HN 0.597 nan 8.240 nan 0.000 0.570 44 V N 0.322 120.158 119.914 -0.130 0.000 2.435 44 V HA 0.661 4.781 4.120 -0.000 0.000 0.290 44 V C -0.380 175.639 176.094 -0.125 0.000 1.030 44 V CA -0.996 61.226 62.300 -0.131 0.000 0.881 44 V CB 1.951 33.685 31.823 -0.148 0.000 0.983 44 V HN 0.131 nan 8.190 nan 0.000 0.445 45 E N 2.743 122.866 120.200 -0.128 0.000 2.366 45 E HA 0.225 4.575 4.350 -0.000 0.000 0.266 45 E C 0.534 177.023 176.600 -0.185 0.000 1.051 45 E CA -0.374 55.949 56.400 -0.128 0.000 0.884 45 E CB 1.457 31.085 29.700 -0.121 0.000 1.006 45 E HN 0.691 nan 8.360 nan 0.000 0.417 46 K N 2.143 122.445 120.400 -0.163 0.000 2.173 46 K HA -0.158 4.162 4.320 -0.000 0.000 0.207 46 K C -0.927 175.328 176.600 -0.575 0.000 1.046 46 K CA 1.255 57.425 56.287 -0.196 0.000 0.929 46 K CB -0.639 31.892 32.500 0.052 0.000 0.720 46 K HN 0.422 nan 8.250 nan 0.000 0.453 47 P HA -0.081 nan 4.420 nan 0.000 0.237 47 P C -0.050 176.993 177.300 -0.429 0.000 1.178 47 P CA 1.069 63.586 63.100 -0.972 0.000 0.766 47 P CB 0.188 31.542 31.700 -0.577 0.000 0.876 48 N N -0.444 118.074 118.700 -0.302 0.000 2.238 48 N HA 0.033 4.773 4.740 -0.000 0.000 0.235 48 N C 1.312 176.698 175.510 -0.207 0.000 1.209 48 N CA -0.016 52.921 53.050 -0.188 0.000 0.879 48 N CB 0.432 38.831 38.487 -0.147 0.000 1.136 48 N HN 0.288 nan 8.380 nan 0.000 0.517 49 Q N -0.115 119.494 119.800 -0.319 0.000 2.425 49 Q HA 0.033 4.373 4.340 -0.000 0.000 0.204 49 Q C -0.628 174.949 176.000 -0.704 0.000 0.933 49 Q CA 0.646 56.135 55.803 -0.524 0.000 0.939 49 Q CB 0.316 28.649 28.738 -0.675 0.000 1.044 49 Q HN 0.171 nan 8.270 nan 0.000 0.513 50 Y N -0.861 119.438 120.300 -0.001 0.000 2.536 50 Y HA 0.509 5.059 4.550 -0.000 0.000 0.347 50 Y C -0.343 175.555 175.900 -0.002 0.000 1.000 50 Y CA -1.301 56.812 58.100 0.021 0.000 1.051 50 Y CB 1.943 40.436 38.460 0.055 0.000 1.259 50 Y HN -0.122 nan 8.280 nan 0.000 0.468 51 V N -1.668 118.344 119.914 0.165 0.000 3.007 51 V HA 0.910 5.030 4.120 -0.000 0.000 0.311 51 V C -0.528 175.602 176.094 0.059 0.000 1.120 51 V CA -0.953 61.395 62.300 0.080 0.000 0.980 51 V CB 1.480 33.328 31.823 0.042 0.000 1.033 51 V HN 0.853 nan 8.190 nan 0.000 0.429 52 T N -0.070 114.504 114.554 0.033 0.000 2.945 52 T HA 0.862 5.212 4.350 -0.000 0.000 0.286 52 T C -0.643 174.094 174.700 0.061 0.000 1.025 52 T CA -0.798 61.311 62.100 0.015 0.000 1.039 52 T CB 1.807 70.668 68.868 -0.012 0.000 1.068 52 T HN 1.050 nan 8.240 nan 0.000 0.497 53 V N 1.044 121.011 119.914 0.089 0.000 2.888 53 V HA 0.562 4.682 4.120 -0.000 0.000 0.309 53 V C -0.736 175.454 176.094 0.160 0.000 1.114 53 V CA -0.859 61.538 62.300 0.162 0.000 0.940 53 V CB 2.007 33.960 31.823 0.215 0.000 1.021 53 V HN 1.098 nan 8.190 nan 0.000 0.426 54 E N 4.136 124.438 120.200 0.169 0.000 2.183 54 E HA 0.668 5.018 4.350 -0.000 0.000 0.271 54 E C -1.705 174.952 176.600 0.095 0.000 0.919 54 E CA -0.633 55.840 56.400 0.122 0.000 0.781 54 E CB 1.691 31.446 29.700 0.092 0.000 1.140 54 E HN 0.601 nan 8.360 nan 0.000 0.402 55 L N 4.046 125.312 121.223 0.072 0.000 2.342 55 L HA 0.360 4.700 4.340 -0.000 0.000 0.276 55 L C -0.347 176.521 176.870 -0.004 0.000 0.997 55 L CA -0.733 54.116 54.840 0.016 0.000 0.838 55 L CB 1.595 43.694 42.059 0.067 0.000 1.224 55 L HN 0.525 nan 8.230 nan 0.000 0.416 56 S N 1.334 116.994 115.700 -0.067 0.000 2.549 56 S HA 0.347 4.817 4.470 -0.000 0.000 0.297 56 S C 0.165 174.744 174.600 -0.034 0.000 1.115 56 S CA -0.498 57.687 58.200 -0.025 0.000 1.059 56 S CB 1.724 64.904 63.200 -0.032 0.000 1.046 56 S HN 0.591 nan 8.310 nan 0.000 0.506 57 Y N 2.860 123.106 120.300 -0.090 0.000 2.522 57 Y HA 0.297 4.847 4.550 -0.000 0.000 0.277 57 Y C 0.711 176.567 175.900 -0.074 0.000 1.104 57 Y CA 0.921 58.968 58.100 -0.088 0.000 1.260 57 Y CB 0.242 38.671 38.460 -0.052 0.000 1.151 57 Y HN 1.015 nan 8.280 nan 0.000 0.539 58 S N -1.725 114.039 115.700 0.107 0.000 2.727 58 S HA 0.220 4.690 4.470 -0.000 0.000 0.278 58 S C -0.383 174.237 174.600 0.034 0.000 1.186 58 S CA -0.470 57.748 58.200 0.029 0.000 0.836 58 S CB 0.802 64.080 63.200 0.129 0.000 1.186 58 S HN 0.084 nan 8.310 nan 0.000 0.499 59 D N 1.277 121.688 120.400 0.019 0.000 2.378 59 D HA 0.062 4.702 4.640 -0.000 0.000 0.222 59 D C 1.436 177.755 176.300 0.031 0.000 0.980 59 D CA 1.793 55.803 54.000 0.017 0.000 0.907 59 D CB -0.081 40.724 40.800 0.009 0.000 0.899 59 D HN 0.775 nan 8.370 nan 0.000 0.527 60 T N -3.553 111.030 114.554 0.048 0.000 3.087 60 T HA 0.278 4.628 4.350 -0.000 0.000 0.283 60 T C 0.135 174.866 174.700 0.051 0.000 0.956 60 T CA -0.311 61.815 62.100 0.044 0.000 0.894 60 T CB 0.417 69.308 68.868 0.038 0.000 1.160 60 T HN -0.198 nan 8.240 nan 0.000 0.532 61 V N 2.692 122.654 119.914 0.080 0.000 2.525 61 V HA 0.831 4.951 4.120 -0.000 0.000 0.299 61 V C -0.559 175.590 176.094 0.091 0.000 1.034 61 V CA -0.275 62.069 62.300 0.074 0.000 0.863 61 V CB 1.460 33.324 31.823 0.069 0.000 0.999 61 V HN 0.737 nan 8.190 nan 0.000 0.423 62 S N 5.253 120.990 115.700 0.060 0.000 2.611 62 S HA 0.857 5.327 4.470 -0.000 0.000 0.268 62 S C -1.123 173.517 174.600 0.067 0.000 1.156 62 S CA -0.792 57.446 58.200 0.063 0.000 0.817 62 S CB 2.129 65.362 63.200 0.054 0.000 1.122 62 S HN 1.083 nan 8.310 nan 0.000 0.466 63 I N -1.747 118.871 120.570 0.080 0.000 3.174 63 I HA 0.712 4.882 4.170 -0.000 0.000 0.313 63 I C -1.301 174.898 176.117 0.138 0.000 1.155 63 I CA -1.103 60.270 61.300 0.122 0.000 0.977 63 I CB 2.143 40.213 38.000 0.116 0.000 1.248 63 I HN 0.740 nan 8.210 nan 0.000 0.453 64 Q N 2.333 122.245 119.800 0.187 0.000 2.387 64 Q HA 0.714 5.054 4.340 -0.000 0.000 0.273 64 Q C -1.551 174.557 176.000 0.181 0.000 1.089 64 Q CA -0.907 54.989 55.803 0.156 0.000 0.824 64 Q CB 3.367 32.175 28.738 0.117 0.000 1.367 64 Q HN 0.542 nan 8.270 nan 0.000 0.443 65 L N 0.152 121.448 121.223 0.121 0.000 2.330 65 L HA 0.763 5.103 4.340 -0.000 0.000 0.271 65 L C 0.222 177.074 176.870 -0.031 0.000 1.013 65 L CA -1.054 53.850 54.840 0.106 0.000 0.816 65 L CB 1.751 43.901 42.059 0.152 0.000 1.287 65 L HN 0.668 nan 8.230 nan 0.000 0.435 66 G N 2.204 110.937 108.800 -0.113 0.000 2.368 66 G HA2 0.729 4.689 3.960 -0.000 0.000 0.320 66 G HA3 0.729 4.689 3.960 -0.000 0.000 0.320 66 G C -0.857 174.065 174.900 0.036 0.000 1.158 66 G CA -0.338 44.647 45.100 -0.191 0.000 0.912 66 G HN 0.401 nan 8.290 nan 0.000 0.456 67 I N 1.731 122.375 120.570 0.123 0.000 2.498 67 I HA 0.217 4.387 4.170 -0.000 0.000 0.290 67 I C -0.978 175.322 176.117 0.305 0.000 1.032 67 I CA -0.947 60.472 61.300 0.199 0.000 1.073 67 I CB 2.529 40.603 38.000 0.123 0.000 1.251 67 I HN 0.347 nan 8.210 nan 0.000 0.426 68 D N 5.512 126.113 120.400 0.335 0.000 2.317 68 D HA 0.078 4.718 4.640 -0.000 0.000 0.252 68 D C 0.645 176.994 176.300 0.080 0.000 1.174 68 D CA -0.200 53.946 54.000 0.244 0.000 0.866 68 D CB 1.542 42.521 40.800 0.298 0.000 1.127 68 D HN 0.330 nan 8.370 nan 0.000 0.467 69 L N 3.832 125.032 121.223 -0.038 0.000 2.362 69 L HA -0.078 4.262 4.340 -0.000 0.000 0.219 69 L C 2.260 179.119 176.870 -0.020 0.000 1.134 69 L CA 1.360 56.177 54.840 -0.038 0.000 0.807 69 L CB -0.439 41.567 42.059 -0.088 0.000 0.927 69 L HN 0.465 nan 8.230 nan 0.000 0.447 70 T N -0.103 114.442 114.554 -0.016 0.000 3.014 70 T HA -0.008 4.341 4.350 -0.000 0.000 0.263 70 T C 1.035 175.809 174.700 0.125 0.000 1.078 70 T CA 1.295 63.410 62.100 0.026 0.000 1.135 70 T CB -0.122 68.747 68.868 0.002 0.000 0.895 70 T HN 0.549 nan 8.240 nan 0.000 0.480 71 N N -0.432 118.376 118.700 0.181 0.000 2.116 71 N HA 0.457 5.196 4.740 -0.000 0.000 0.230 71 N C 0.611 176.170 175.510 0.082 0.000 1.326 71 N CA 0.407 53.627 53.050 0.285 0.000 0.867 71 N CB 0.062 38.831 38.487 0.470 0.000 1.174 71 N HN 0.144 nan 8.380 nan 0.000 0.506 72 A N -0.875 121.962 122.820 0.029 0.000 2.847 72 A HA -0.282 4.038 4.320 -0.000 0.000 0.263 72 A C -0.670 176.807 177.584 -0.178 0.000 1.391 72 A CA 0.695 52.660 52.037 -0.119 0.000 0.866 72 A CB -2.809 16.028 19.000 -0.273 0.000 1.057 72 A HN 0.522 nan 8.150 nan 0.000 0.673 73 Y N -1.230 119.106 120.300 0.060 0.000 2.310 73 Y HA 0.443 4.993 4.550 -0.000 0.000 0.326 73 Y C 0.912 176.900 175.900 0.147 0.000 1.151 73 Y CA -0.466 57.679 58.100 0.076 0.000 1.195 73 Y CB 1.337 39.852 38.460 0.092 0.000 1.210 73 Y HN 0.120 nan 8.280 nan 0.000 0.483 74 V N 4.984 125.125 119.914 0.378 0.000 2.508 74 V HA -0.015 4.105 4.120 -0.000 0.000 0.281 74 V C 0.696 177.071 176.094 0.468 0.000 1.041 74 V CA 0.105 62.616 62.300 0.352 0.000 1.016 74 V CB 0.836 32.877 31.823 0.363 0.000 0.984 74 V HN 0.824 nan 8.190 nan 0.000 0.478 75 V N 1.986 122.108 119.914 0.346 0.000 3.621 75 V HA 0.818 4.938 4.120 -0.000 0.000 0.263 75 V C 0.509 176.696 176.094 0.155 0.000 1.272 75 V CA 0.760 63.297 62.300 0.395 0.000 1.080 75 V CB 0.055 32.081 31.823 0.337 0.000 0.816 75 V HN 1.043 nan 8.190 nan 0.000 0.451 76 A N 0.095 122.880 122.820 -0.058 0.000 2.515 76 A HA 0.779 5.099 4.320 -0.000 0.000 0.292 76 A C -1.560 176.046 177.584 0.036 0.000 1.065 76 A CA -0.203 51.682 52.037 -0.253 0.000 0.641 76 A CB 0.823 19.348 19.000 -0.791 0.000 1.306 76 A HN 1.364 nan 8.150 nan 0.000 0.441 77 Y N -0.584 119.818 120.300 0.169 0.000 2.588 77 Y HA 0.886 5.436 4.550 -0.000 0.000 0.343 77 Y C -0.595 175.551 175.900 0.410 0.000 1.065 77 Y CA -1.039 57.225 58.100 0.274 0.000 1.038 77 Y CB 1.412 39.930 38.460 0.096 0.000 1.297 77 Y HN 0.849 nan 8.280 nan 0.000 0.467 78 R N 2.397 123.267 120.500 0.617 0.000 2.599 78 R HA 0.868 5.208 4.340 -0.000 0.000 0.295 78 R C -1.834 174.650 176.300 0.306 0.000 0.963 78 R CA -0.848 55.459 56.100 0.345 0.000 0.883 78 R CB 1.719 32.356 30.300 0.562 0.000 1.171 78 R HN 1.113 nan 8.270 nan 0.000 0.450 79 A N 2.948 125.881 122.820 0.189 0.000 2.457 79 A HA 0.580 4.900 4.320 -0.000 0.000 0.283 79 A C 0.359 177.998 177.584 0.091 0.000 1.166 79 A CA 0.110 52.263 52.037 0.193 0.000 0.740 79 A CB 0.935 20.114 19.000 0.298 0.000 1.181 79 A HN 1.084 nan 8.150 nan 0.000 0.446 80 G N 1.991 110.831 108.800 0.066 0.000 2.561 80 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.289 80 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.289 80 G C 1.249 176.159 174.900 0.016 0.000 1.169 80 G CA 1.084 46.205 45.100 0.035 0.000 0.980 80 G HN 2.167 nan 8.290 nan 0.000 0.550 81 S N 0.582 116.278 115.700 -0.006 0.000 2.597 81 S HA 0.516 4.986 4.470 -0.000 0.000 0.224 81 S C 0.402 174.952 174.600 -0.084 0.000 0.955 81 S CA 0.973 59.156 58.200 -0.028 0.000 0.933 81 S CB 0.413 63.603 63.200 -0.016 0.000 0.788 81 S HN 0.692 nan 8.310 nan 0.000 0.488 82 E N 1.339 121.462 120.200 -0.129 0.000 2.263 82 E HA 0.649 4.999 4.350 -0.000 0.000 0.264 82 E C -0.931 175.284 176.600 -0.641 0.000 0.923 82 E CA -0.756 55.455 56.400 -0.314 0.000 0.802 82 E CB 2.064 31.614 29.700 -0.249 0.000 1.228 82 E HN 0.419 nan 8.360 nan 0.000 0.417 83 S N 0.859 115.871 115.700 -1.146 0.000 2.546 83 S HA 0.689 5.159 4.470 -0.000 0.000 0.274 83 S C -1.297 172.236 174.600 -1.779 0.000 1.121 83 S CA -0.876 56.250 58.200 -1.791 0.000 0.887 83 S CB 0.684 62.160 63.200 -2.872 0.000 1.094 83 S HN 0.337 nan 8.310 nan 0.000 0.474 84 F N 1.398 120.616 119.950 -1.220 0.000 2.536 84 F HA 0.634 5.161 4.527 -0.000 0.000 0.322 84 F C -0.875 174.523 175.800 -0.670 0.000 1.144 84 F CA -0.838 56.694 58.000 -0.780 0.000 0.924 84 F CB 1.368 39.800 39.000 -0.948 0.000 1.181 84 F HN 0.529 nan 8.300 nan 0.000 0.438 85 F N 2.416 122.252 119.950 -0.191 0.000 2.450 85 F HA 0.473 5.000 4.527 -0.000 0.000 0.332 85 F C 0.057 175.792 175.800 -0.109 0.000 1.093 85 F CA -1.098 56.843 58.000 -0.098 0.000 1.003 85 F CB 1.013 39.991 39.000 -0.037 0.000 1.151 85 F HN 0.282 nan 8.300 nan 0.000 0.474 86 F N 2.857 122.889 119.950 0.136 0.000 2.607 86 F HA 0.046 4.573 4.527 -0.000 0.000 0.374 86 F C 1.934 177.727 175.800 -0.011 0.000 1.104 86 F CA -0.010 57.992 58.000 0.004 0.000 1.296 86 F CB 0.609 39.645 39.000 0.060 0.000 1.085 86 F HN 0.547 nan 8.300 nan 0.000 0.584 87 R N 2.239 122.810 120.500 0.118 0.000 2.211 87 R HA -0.271 4.069 4.340 -0.000 0.000 0.240 87 R C 1.557 177.893 176.300 0.060 0.000 1.144 87 R CA 1.960 58.081 56.100 0.034 0.000 0.992 87 R CB -0.326 29.951 30.300 -0.038 0.000 0.869 87 R HN 0.690 nan 8.270 nan 0.000 0.462 88 N N 0.152 118.906 118.700 0.091 0.000 2.463 88 N HA 0.017 4.757 4.740 -0.000 0.000 0.181 88 N C -0.435 175.124 175.510 0.082 0.000 1.078 88 N CA 0.570 53.650 53.050 0.051 0.000 0.902 88 N CB 0.204 38.678 38.487 -0.022 0.000 0.970 88 N HN 0.319 nan 8.380 nan 0.000 0.451 89 A N 1.326 124.235 122.820 0.147 0.000 2.477 89 A HA 0.318 4.638 4.320 -0.000 0.000 0.246 89 A C -1.948 175.680 177.584 0.075 0.000 1.078 89 A CA -0.878 51.256 52.037 0.161 0.000 0.770 89 A CB -0.272 18.882 19.000 0.257 0.000 1.011 89 A HN 0.352 nan 8.150 nan 0.000 0.494 90 P HA 0.373 nan 4.420 nan 0.000 0.284 90 P C 0.798 178.095 177.300 -0.004 0.000 1.258 90 P CA 0.191 63.323 63.100 0.054 0.000 0.824 90 P CB 1.460 33.226 31.700 0.109 0.000 1.038 91 A N 2.803 125.603 122.820 -0.034 0.000 1.954 91 A HA -0.289 4.031 4.320 -0.000 0.000 0.222 91 A C 2.243 179.765 177.584 -0.104 0.000 1.199 91 A CA 3.006 54.987 52.037 -0.093 0.000 0.657 91 A CB -1.860 17.102 19.000 -0.063 0.000 0.823 91 A HN 0.734 nan 8.150 nan 0.000 0.463 92 S N -0.187 115.534 115.700 0.034 0.000 2.419 92 S HA 0.073 4.543 4.470 -0.000 0.000 0.233 92 S C 2.012 176.664 174.600 0.087 0.000 1.016 92 S CA 1.402 59.698 58.200 0.160 0.000 0.974 92 S CB -0.708 62.747 63.200 0.425 0.000 0.786 92 S HN 1.075 nan 8.310 nan 0.000 0.492 93 A N 2.612 125.368 122.820 -0.106 0.000 1.858 93 A HA -0.070 4.250 4.320 -0.000 0.000 0.216 93 A C 2.599 179.962 177.584 -0.368 0.000 1.190 93 A CA 2.315 54.090 52.037 -0.437 0.000 0.617 93 A CB -1.398 17.532 19.000 -0.116 0.000 0.827 93 A HN 0.882 nan 8.150 nan 0.000 0.443 94 S N -1.258 113.962 115.700 -0.800 0.000 2.428 94 S HA -0.099 4.371 4.470 -0.000 0.000 0.230 94 S C 1.750 176.133 174.600 -0.362 0.000 1.014 94 S CA 1.628 59.318 58.200 -0.850 0.000 0.957 94 S CB -1.025 61.510 63.200 -1.108 0.000 0.784 94 S HN 0.486 nan 8.310 nan 0.000 0.499 95 T N 0.810 115.130 114.554 -0.389 0.000 2.788 95 T HA -0.019 4.331 4.350 -0.000 0.000 0.268 95 T C 0.775 175.119 174.700 -0.592 0.000 1.044 95 T CA 1.468 63.266 62.100 -0.504 0.000 1.139 95 T CB -0.371 68.097 68.868 -0.668 0.000 0.867 95 T HN 0.643 nan 8.240 nan 0.000 0.454 96 Y N -0.865 119.427 120.300 -0.013 0.000 2.453 96 Y HA 0.515 5.065 4.550 -0.000 0.000 0.247 96 Y C 0.213 176.124 175.900 0.018 0.000 1.124 96 Y CA -0.910 57.216 58.100 0.043 0.000 1.243 96 Y CB 0.454 39.007 38.460 0.156 0.000 1.213 96 Y HN 0.074 nan 8.280 nan 0.000 0.523 97 L N -1.064 120.208 121.223 0.081 0.000 2.322 97 L HA 0.392 4.731 4.340 -0.000 0.000 0.269 97 L C -0.164 176.799 176.870 0.155 0.000 1.012 97 L CA -1.078 53.761 54.840 -0.002 0.000 0.815 97 L CB 0.467 42.418 42.059 -0.180 0.000 1.295 97 L HN 0.192 nan 8.230 nan 0.000 0.438 98 F N -0.473 119.518 119.950 0.067 0.000 3.105 98 F HA -0.238 4.289 4.527 -0.000 0.000 0.280 98 F C 0.986 176.790 175.800 0.008 0.000 0.894 98 F CA 0.975 58.989 58.000 0.023 0.000 0.992 98 F CB -2.687 36.327 39.000 0.024 0.000 1.047 98 F HN 0.528 nan 8.300 nan 0.000 0.607 99 T N -1.741 112.899 114.554 0.142 0.000 2.867 99 T HA 0.440 4.790 4.350 -0.000 0.000 0.297 99 T C 1.305 176.033 174.700 0.047 0.000 0.989 99 T CA 0.399 62.535 62.100 0.061 0.000 1.159 99 T CB 1.414 70.300 68.868 0.030 0.000 0.928 99 T HN 1.464 nan 8.240 nan 0.000 0.538 100 G N 2.524 111.330 108.800 0.010 0.000 2.211 100 G HA2 -0.107 3.853 3.960 -0.000 0.000 0.201 100 G HA3 -0.107 3.853 3.960 -0.000 0.000 0.201 100 G C 0.219 175.110 174.900 -0.016 0.000 0.997 100 G CA 0.065 45.165 45.100 0.000 0.000 0.652 100 G HN 1.487 nan 8.290 nan 0.000 0.500 101 T N -1.317 113.221 114.554 -0.027 0.000 2.950 101 T HA 0.689 5.038 4.350 -0.000 0.000 0.288 101 T C -0.298 174.300 174.700 -0.169 0.000 1.035 101 T CA -0.569 61.480 62.100 -0.086 0.000 1.028 101 T CB 2.265 71.065 68.868 -0.114 0.000 1.109 101 T HN 0.082 nan 8.240 nan 0.000 0.514 102 Q N 1.814 121.494 119.800 -0.199 0.000 2.293 102 Q HA 0.301 4.641 4.340 -0.000 0.000 0.263 102 Q C -0.203 175.446 176.000 -0.585 0.000 1.002 102 Q CA 0.288 55.893 55.803 -0.330 0.000 0.910 102 Q CB 0.537 29.179 28.738 -0.161 0.000 1.185 102 Q HN 0.580 nan 8.270 nan 0.000 0.401 103 Q N 2.150 121.541 119.800 -0.682 0.000 2.230 103 Q HA 0.546 4.886 4.340 -0.000 0.000 0.253 103 Q C -0.925 174.500 176.000 -0.959 0.000 0.919 103 Q CA -0.378 55.037 55.803 -0.647 0.000 0.908 103 Q CB 1.199 29.754 28.738 -0.305 0.000 1.245 103 Q HN 0.530 nan 8.270 nan 0.000 0.437 104 Y N -0.669 119.407 120.300 -0.372 0.000 2.605 104 Y HA 0.419 4.969 4.550 -0.000 0.000 0.343 104 Y C -0.140 175.712 175.900 -0.080 0.000 1.036 104 Y CA -1.000 56.967 58.100 -0.221 0.000 1.065 104 Y CB 2.297 40.626 38.460 -0.218 0.000 1.288 104 Y HN 0.474 nan 8.280 nan 0.000 0.481 105 S N 1.509 117.285 115.700 0.126 0.000 2.525 105 S HA 0.623 5.093 4.470 -0.000 0.000 0.290 105 S C -0.736 173.865 174.600 0.002 0.000 1.152 105 S CA -0.742 57.490 58.200 0.053 0.000 1.072 105 S CB 0.525 63.728 63.200 0.005 0.000 1.027 105 S HN 0.379 nan 8.310 nan 0.000 0.500 106 L N 4.233 125.375 121.223 -0.135 0.000 2.357 106 L HA 0.405 4.745 4.340 -0.000 0.000 0.273 106 L C -1.352 175.243 176.870 -0.458 0.000 1.080 106 L CA -1.974 52.613 54.840 -0.422 0.000 0.803 106 L CB 1.095 42.693 42.059 -0.769 0.000 1.174 106 L HN 0.474 nan 8.230 nan 0.000 0.443 107 P HA -0.005 nan 4.420 nan 0.000 0.249 107 P C -0.678 176.232 177.300 -0.651 0.000 1.241 107 P CA 0.536 63.397 63.100 -0.400 0.000 0.781 107 P CB -0.175 31.427 31.700 -0.164 0.000 1.088 108 F N -1.922 117.701 119.950 -0.546 0.000 2.599 108 F HA 0.612 5.139 4.527 -0.000 0.000 0.311 108 F C -0.310 175.432 175.800 -0.096 0.000 1.076 108 F CA -1.976 55.702 58.000 -0.536 0.000 0.937 108 F CB 0.469 38.975 39.000 -0.824 0.000 1.282 108 F HN -0.388 nan 8.300 nan 0.000 0.460 109 D N 0.709 121.170 120.400 0.102 0.000 2.358 109 D HA 0.236 4.876 4.640 -0.000 0.000 0.244 109 D C 1.022 177.043 176.300 -0.464 0.000 1.163 109 D CA 0.052 54.011 54.000 -0.069 0.000 0.945 109 D CB 1.419 42.174 40.800 -0.075 0.000 1.152 109 D HN 0.970 nan 8.370 nan 0.000 0.451 110 G N 0.515 108.690 108.800 -1.041 0.000 2.956 110 G HA2 -0.098 3.862 3.960 -0.000 0.000 0.207 110 G HA3 -0.098 3.862 3.960 -0.000 0.000 0.207 110 G C 0.605 175.036 174.900 -0.782 0.000 1.162 110 G CA -0.107 43.946 45.100 -1.745 0.000 0.796 110 G HN 0.273 nan 8.290 nan 0.000 0.527 111 N N -0.322 118.089 118.700 -0.481 0.000 2.493 111 N HA 0.175 4.915 4.740 -0.000 0.000 0.275 111 N C 0.417 175.808 175.510 -0.198 0.000 1.186 111 N CA -0.513 52.328 53.050 -0.349 0.000 0.978 111 N CB 0.757 39.131 38.487 -0.189 0.000 1.184 111 N HN -0.044 nan 8.380 nan 0.000 0.487 112 Y N 0.643 120.935 120.300 -0.012 0.000 2.293 112 Y HA -0.100 4.450 4.550 -0.000 0.000 0.291 112 Y C 1.771 177.676 175.900 0.009 0.000 1.137 112 Y CA 0.789 58.895 58.100 0.011 0.000 1.202 112 Y CB -0.196 38.286 38.460 0.038 0.000 0.990 112 Y HN 0.468 nan 8.280 nan 0.000 0.537 113 D N -0.054 120.437 120.400 0.153 0.000 2.097 113 D HA -0.177 4.463 4.640 -0.000 0.000 0.195 113 D C 1.780 178.142 176.300 0.104 0.000 0.989 113 D CA 1.609 55.672 54.000 0.104 0.000 0.827 113 D CB -0.321 40.526 40.800 0.078 0.000 0.966 113 D HN 0.281 nan 8.370 nan 0.000 0.456 114 D N 0.037 120.504 120.400 0.113 0.000 2.097 114 D HA -0.045 4.595 4.640 -0.000 0.000 0.197 114 D C 2.383 178.782 176.300 0.165 0.000 0.984 114 D CA 0.362 54.481 54.000 0.198 0.000 0.826 114 D CB -0.217 40.690 40.800 0.178 0.000 0.973 114 D HN 0.109 nan 8.370 nan 0.000 0.460 115 L N 0.597 121.851 121.223 0.053 0.000 2.013 115 L HA -0.188 4.152 4.340 -0.000 0.000 0.212 115 L C 2.397 179.269 176.870 0.004 0.000 1.073 115 L CA 1.355 56.168 54.840 -0.045 0.000 0.753 115 L CB -0.414 41.689 42.059 0.073 0.000 0.890 115 L HN 0.108 nan 8.230 nan 0.000 0.432 116 E N -0.133 120.104 120.200 0.061 0.000 2.110 116 E HA -0.271 4.079 4.350 -0.000 0.000 0.193 116 E C 2.152 178.734 176.600 -0.031 0.000 0.988 116 E CA 1.116 57.529 56.400 0.022 0.000 0.804 116 E CB -0.055 29.662 29.700 0.028 0.000 0.745 116 E HN 0.363 nan 8.360 nan 0.000 0.458 117 K N 0.469 120.862 120.400 -0.012 0.000 2.026 117 K HA -0.169 4.151 4.320 -0.000 0.000 0.208 117 K C 1.825 178.273 176.600 -0.253 0.000 1.048 117 K CA 1.215 57.429 56.287 -0.122 0.000 0.929 117 K CB -0.073 32.419 32.500 -0.013 0.000 0.713 117 K HN 0.232 nan 8.250 nan 0.000 0.439 118 W N 0.324 121.481 121.300 -0.238 0.000 2.678 118 W HA 0.057 4.717 4.660 -0.000 0.000 0.256 118 W C 1.641 178.105 176.519 -0.091 0.000 1.280 118 W CA 0.887 58.115 57.345 -0.195 0.000 1.345 118 W CB 0.244 29.529 29.460 -0.293 0.000 1.118 118 W HN 0.261 nan 8.180 nan 0.000 0.629 119 A N -1.139 121.719 122.820 0.064 0.000 2.275 119 A HA 0.006 4.326 4.320 -0.000 0.000 0.212 119 A C 0.147 177.820 177.584 0.149 0.000 1.201 119 A CA 0.474 52.570 52.037 0.098 0.000 0.843 119 A CB -0.812 18.205 19.000 0.028 0.000 0.873 119 A HN 0.445 nan 8.150 nan 0.000 0.492 120 H N -1.202 117.853 119.070 -0.025 0.000 2.741 120 H HA -0.167 4.389 4.556 -0.000 0.000 0.305 120 H C 0.047 175.355 175.328 -0.033 0.000 1.169 120 H CA 1.571 57.594 56.048 -0.041 0.000 1.144 120 H CB -1.624 28.109 29.762 -0.049 0.000 1.397 120 H HN 0.710 nan 8.280 nan 0.000 0.409 121 Q N -0.307 119.504 119.800 0.019 0.000 2.468 121 Q HA 0.357 4.697 4.340 -0.000 0.000 0.263 121 Q C -0.660 175.331 176.000 -0.017 0.000 0.979 121 Q CA -0.086 55.720 55.803 0.005 0.000 0.932 121 Q CB 1.663 30.407 28.738 0.009 0.000 1.462 121 Q HN 0.314 nan 8.270 nan 0.000 0.403 122 S N 1.385 117.069 115.700 -0.026 0.000 2.632 122 S HA 0.372 4.842 4.470 -0.000 0.000 0.267 122 S C 0.837 175.400 174.600 -0.061 0.000 1.276 122 S CA -0.551 57.626 58.200 -0.039 0.000 0.998 122 S CB 1.496 64.674 63.200 -0.037 0.000 0.953 122 S HN 0.763 nan 8.310 nan 0.000 0.547 123 R N 0.966 121.406 120.500 -0.101 0.000 2.112 123 R HA -0.244 4.096 4.340 -0.000 0.000 0.242 123 R C 2.620 178.855 176.300 -0.109 0.000 1.137 123 R CA 2.231 58.244 56.100 -0.144 0.000 0.944 123 R CB -0.735 29.408 30.300 -0.263 0.000 0.857 123 R HN 0.960 nan 8.270 nan 0.000 0.435 124 Q N 0.291 120.039 119.800 -0.086 0.000 2.376 124 Q HA -0.166 4.174 4.340 -0.000 0.000 0.211 124 Q C 1.178 177.147 176.000 -0.051 0.000 0.986 124 Q CA 1.443 57.211 55.803 -0.058 0.000 0.886 124 Q CB 0.092 28.807 28.738 -0.039 0.000 0.927 124 Q HN 0.142 nan 8.270 nan 0.000 0.457 125 R N -0.076 120.391 120.500 -0.055 0.000 2.397 125 R HA 0.359 4.699 4.340 -0.000 0.000 0.241 125 R C -0.069 176.195 176.300 -0.061 0.000 0.914 125 R CA 0.008 56.080 56.100 -0.047 0.000 1.071 125 R CB 0.613 30.893 30.300 -0.033 0.000 1.116 125 R HN 0.300 nan 8.270 nan 0.000 0.524 126 I N 1.797 122.319 120.570 -0.080 0.000 2.315 126 I HA 0.101 4.271 4.170 -0.000 0.000 0.291 126 I C 0.241 176.273 176.117 -0.141 0.000 1.006 126 I CA -0.140 61.106 61.300 -0.091 0.000 1.265 126 I CB 1.566 39.519 38.000 -0.077 0.000 1.387 126 I HN -0.159 nan 8.210 nan 0.000 0.475 127 S N 6.856 122.472 115.700 -0.139 0.000 2.585 127 S HA 0.533 5.003 4.470 -0.000 0.000 0.273 127 S C -0.159 174.280 174.600 -0.268 0.000 1.339 127 S CA -0.390 57.688 58.200 -0.203 0.000 1.028 127 S CB 0.713 63.838 63.200 -0.126 0.000 0.906 127 S HN 0.333 nan 8.310 nan 0.000 0.528 128 L N 1.148 122.085 121.223 -0.476 0.000 2.354 128 L HA 0.911 5.251 4.340 -0.000 0.000 0.264 128 L C 0.424 177.138 176.870 -0.261 0.000 1.008 128 L CA -0.591 53.962 54.840 -0.479 0.000 0.819 128 L CB 2.130 43.641 42.059 -0.914 0.000 1.339 128 L HN 0.882 nan 8.230 nan 0.000 0.420 129 G N 0.200 108.975 108.800 -0.043 0.000 2.352 129 G HA2 0.165 4.125 3.960 -0.000 0.000 0.302 129 G HA3 0.165 4.125 3.960 -0.000 0.000 0.302 129 G C -0.559 174.368 174.900 0.046 0.000 1.370 129 G CA -0.543 44.600 45.100 0.072 0.000 0.918 129 G HN 0.445 nan 8.290 nan 0.000 0.610 130 L N 0.220 121.468 121.223 0.043 0.000 2.017 130 L HA 0.148 4.488 4.340 -0.000 0.000 0.208 130 L C 2.562 179.445 176.870 0.022 0.000 1.073 130 L CA 2.889 57.748 54.840 0.031 0.000 0.745 130 L CB -0.501 41.567 42.059 0.015 0.000 0.894 130 L HN 0.762 nan 8.230 nan 0.000 0.432 131 E N -0.740 119.471 120.200 0.019 0.000 2.204 131 E HA -0.178 4.172 4.350 -0.000 0.000 0.194 131 E C 2.074 178.690 176.600 0.027 0.000 0.989 131 E CA 0.891 57.303 56.400 0.021 0.000 0.824 131 E CB -0.183 29.525 29.700 0.015 0.000 0.756 131 E HN 0.660 nan 8.360 nan 0.000 0.477 132 A N 1.177 124.007 122.820 0.016 0.000 1.898 132 A HA -0.106 4.214 4.320 -0.000 0.000 0.214 132 A C 2.129 179.733 177.584 0.033 0.000 1.183 132 A CA 0.623 52.664 52.037 0.007 0.000 0.622 132 A CB -0.431 18.554 19.000 -0.024 0.000 0.824 132 A HN 0.208 nan 8.150 nan 0.000 0.444 133 L N 0.112 121.365 121.223 0.050 0.000 1.989 133 L HA -0.149 4.191 4.340 -0.000 0.000 0.211 133 L C 2.401 179.322 176.870 0.085 0.000 1.071 133 L CA 2.131 57.018 54.840 0.078 0.000 0.749 133 L CB -0.616 41.508 42.059 0.108 0.000 0.890 133 L HN 0.347 nan 8.230 nan 0.000 0.431 134 R N -0.971 119.581 120.500 0.088 0.000 2.115 134 R HA -0.180 4.159 4.340 -0.000 0.000 0.230 134 R C 2.301 178.737 176.300 0.226 0.000 1.111 134 R CA 1.459 57.670 56.100 0.185 0.000 0.976 134 R CB -0.379 29.994 30.300 0.121 0.000 0.870 134 R HN 0.639 nan 8.270 nan 0.000 0.445 135 Q N 0.120 119.997 119.800 0.127 0.000 2.079 135 Q HA -0.113 4.227 4.340 -0.000 0.000 0.200 135 Q C 1.944 177.986 176.000 0.071 0.000 0.974 135 Q CA 1.749 57.599 55.803 0.078 0.000 0.840 135 Q CB -0.162 28.595 28.738 0.032 0.000 0.898 135 Q HN 0.381 nan 8.270 nan 0.000 0.430 136 G N 1.403 110.248 108.800 0.074 0.000 2.418 136 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.217 136 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.217 136 G C 1.456 176.401 174.900 0.075 0.000 1.158 136 G CA 0.914 46.071 45.100 0.095 0.000 0.771 136 G HN 0.373 nan 8.290 nan 0.000 0.545 137 I N 0.520 121.122 120.570 0.054 0.000 2.179 137 I HA -0.176 3.994 4.170 -0.000 0.000 0.242 137 I C 2.682 178.767 176.117 -0.052 0.000 1.088 137 I CA 1.584 62.894 61.300 0.016 0.000 1.357 137 I CB -0.237 37.808 38.000 0.075 0.000 1.051 137 I HN 0.156 nan 8.210 nan 0.000 0.409 138 K N 0.827 121.155 120.400 -0.120 0.000 2.097 138 K HA -0.240 4.080 4.320 -0.000 0.000 0.206 138 K C 2.247 178.787 176.600 -0.099 0.000 1.049 138 K CA 1.603 57.727 56.287 -0.271 0.000 0.933 138 K CB -0.197 32.001 32.500 -0.503 0.000 0.717 138 K HN 0.174 nan 8.250 nan 0.000 0.442 139 F N 1.512 121.374 119.950 -0.148 0.000 2.146 139 F HA -0.083 4.444 4.527 -0.000 0.000 0.298 139 F C 1.559 177.288 175.800 -0.119 0.000 1.096 139 F CA 1.226 59.156 58.000 -0.117 0.000 1.275 139 F CB -0.173 38.770 39.000 -0.095 0.000 1.008 139 F HN -0.054 nan 8.300 nan 0.000 0.480 140 L N -0.134 120.908 121.223 -0.303 0.000 2.141 140 L HA -0.138 4.202 4.340 -0.000 0.000 0.209 140 L C 2.520 179.254 176.870 -0.227 0.000 1.094 140 L CA 1.169 55.753 54.840 -0.428 0.000 0.763 140 L CB -0.650 41.132 42.059 -0.462 0.000 0.908 140 L HN 0.068 nan 8.230 nan 0.000 0.437 141 R N 1.020 121.433 120.500 -0.146 0.000 2.115 141 R HA -0.074 4.266 4.340 -0.000 0.000 0.230 141 R C 1.784 178.027 176.300 -0.095 0.000 1.111 141 R CA 1.123 57.181 56.100 -0.070 0.000 0.976 141 R CB -0.386 29.875 30.300 -0.064 0.000 0.870 141 R HN 0.526 nan 8.270 nan 0.000 0.445 142 S N -2.285 113.316 115.700 -0.165 0.000 2.423 142 S HA 0.294 4.764 4.470 -0.000 0.000 0.244 142 S C 1.276 175.767 174.600 -0.181 0.000 1.267 142 S CA -0.116 57.996 58.200 -0.147 0.000 0.988 142 S CB 0.227 63.345 63.200 -0.136 0.000 0.978 142 S HN 0.287 nan 8.310 nan 0.000 0.506 143 G N -1.127 107.566 108.800 -0.179 0.000 3.443 143 G HA2 0.515 4.475 3.960 -0.000 0.000 0.252 143 G HA3 0.515 4.475 3.960 -0.000 0.000 0.252 143 G C 0.260 175.035 174.900 -0.209 0.000 1.015 143 G CA 0.112 45.104 45.100 -0.180 0.000 0.891 143 G HN 1.112 nan 8.290 nan 0.000 0.510 144 A N 1.007 123.701 122.820 -0.209 0.000 2.522 144 A HA 0.324 4.644 4.320 -0.000 0.000 0.275 144 A C 1.031 178.558 177.584 -0.094 0.000 1.058 144 A CA 0.526 52.521 52.037 -0.070 0.000 0.880 144 A CB -0.202 18.894 19.000 0.160 0.000 0.946 144 A HN 0.294 nan 8.150 nan 0.000 0.526 145 S N 2.541 118.212 115.700 -0.047 0.000 4.175 145 S HA 0.090 4.560 4.470 -0.000 0.000 0.193 145 S C 0.010 174.644 174.600 0.057 0.000 1.373 145 S CA 0.042 58.217 58.200 -0.042 0.000 0.908 145 S CB -0.476 62.697 63.200 -0.046 0.000 1.547 145 S HN 0.726 nan 8.310 nan 0.000 0.440 146 D N 1.392 121.881 120.400 0.148 0.000 2.461 146 D HA 0.177 4.817 4.640 -0.000 0.000 0.240 146 D C 0.281 176.744 176.300 0.271 0.000 1.094 146 D CA -0.526 53.606 54.000 0.219 0.000 0.868 146 D CB 0.829 41.785 40.800 0.260 0.000 1.062 146 D HN 0.048 nan 8.370 nan 0.000 0.530 147 D N 2.339 122.904 120.400 0.274 0.000 2.149 147 D HA -0.190 4.450 4.640 -0.000 0.000 0.198 147 D C 1.443 177.981 176.300 0.395 0.000 0.990 147 D CA 0.849 55.089 54.000 0.400 0.000 0.839 147 D CB 0.293 41.393 40.800 0.500 0.000 0.948 147 D HN 0.663 nan 8.370 nan 0.000 0.460 148 E N 0.410 120.808 120.200 0.329 0.000 2.085 148 E HA -0.232 4.118 4.350 -0.000 0.000 0.194 148 E C 1.788 178.473 176.600 0.141 0.000 0.994 148 E CA 1.110 57.658 56.400 0.247 0.000 0.801 148 E CB 0.155 29.952 29.700 0.162 0.000 0.743 148 E HN 0.012 nan 8.360 nan 0.000 0.453 149 E N 0.414 120.684 120.200 0.117 0.000 2.158 149 E HA -0.067 4.283 4.350 -0.000 0.000 0.191 149 E C 1.902 178.608 176.600 0.178 0.000 0.982 149 E CA 0.705 57.097 56.400 -0.014 0.000 0.823 149 E CB -0.077 29.434 29.700 -0.315 0.000 0.766 149 E HN 0.360 nan 8.360 nan 0.000 0.468 150 I N 0.146 120.942 120.570 0.376 0.000 2.202 150 I HA -0.230 3.939 4.170 -0.000 0.000 0.242 150 I C 2.309 178.587 176.117 0.268 0.000 1.091 150 I CA 0.984 62.513 61.300 0.380 0.000 1.368 150 I CB -0.478 37.723 38.000 0.335 0.000 1.058 150 I HN 0.171 nan 8.210 nan 0.000 0.410 151 A N 0.857 123.758 122.820 0.135 0.000 1.877 151 A HA -0.255 4.065 4.320 -0.000 0.000 0.216 151 A C 2.465 180.064 177.584 0.024 0.000 1.186 151 A CA 1.749 53.708 52.037 -0.131 0.000 0.620 151 A CB -0.704 17.963 19.000 -0.556 0.000 0.822 151 A HN 0.314 nan 8.150 nan 0.000 0.443 152 R N -1.035 119.483 120.500 0.031 0.000 2.083 152 R HA -0.161 4.179 4.340 -0.000 0.000 0.237 152 R C 2.471 178.796 176.300 0.041 0.000 1.137 152 R CA 2.178 58.292 56.100 0.023 0.000 0.951 152 R CB -0.652 29.640 30.300 -0.012 0.000 0.851 152 R HN 0.566 nan 8.270 nan 0.000 0.434 153 T N 0.172 114.760 114.554 0.056 0.000 2.788 153 T HA -0.076 4.273 4.350 -0.000 0.000 0.268 153 T C 1.923 176.680 174.700 0.094 0.000 1.044 153 T CA 1.095 63.236 62.100 0.068 0.000 1.139 153 T CB -0.087 68.855 68.868 0.123 0.000 0.867 153 T HN 0.248 nan 8.240 nan 0.000 0.454 154 L N 0.107 121.410 121.223 0.134 0.000 2.201 154 L HA 0.089 4.429 4.340 -0.000 0.000 0.212 154 L C 2.509 179.522 176.870 0.238 0.000 1.105 154 L CA 0.916 55.874 54.840 0.198 0.000 0.775 154 L CB -0.327 41.929 42.059 0.329 0.000 0.913 154 L HN 0.357 nan 8.230 nan 0.000 0.440 155 I N -1.267 119.422 120.570 0.199 0.000 2.394 155 I HA -0.229 3.941 4.170 -0.000 0.000 0.251 155 I C 2.344 178.556 176.117 0.158 0.000 1.136 155 I CA 0.742 62.171 61.300 0.216 0.000 1.425 155 I CB -0.066 38.017 38.000 0.139 0.000 1.079 155 I HN 0.027 nan 8.210 nan 0.000 0.425 156 V N 1.250 121.224 119.914 0.101 0.000 2.270 156 V HA -0.274 3.846 4.120 -0.000 0.000 0.245 156 V C 2.290 178.456 176.094 0.120 0.000 1.043 156 V CA 1.889 64.229 62.300 0.066 0.000 1.014 156 V CB -0.337 31.508 31.823 0.036 0.000 0.645 156 V HN 0.302 nan 8.190 nan 0.000 0.447 157 I N -0.448 120.208 120.570 0.144 0.000 2.226 157 I HA -0.244 3.926 4.170 -0.000 0.000 0.245 157 I C 2.283 178.529 176.117 0.215 0.000 1.100 157 I CA 1.672 63.078 61.300 0.177 0.000 1.374 157 I CB -0.316 37.776 38.000 0.152 0.000 1.057 157 I HN 0.235 nan 8.210 nan 0.000 0.413 158 I N 0.370 121.083 120.570 0.238 0.000 2.163 158 I HA -0.330 3.840 4.170 -0.000 0.000 0.243 158 I C 2.548 178.810 176.117 0.242 0.000 1.085 158 I CA 1.609 63.064 61.300 0.259 0.000 1.347 158 I CB -0.339 37.853 38.000 0.320 0.000 1.044 158 I HN 0.309 nan 8.210 nan 0.000 0.408 159 Q N -0.217 119.731 119.800 0.247 0.000 2.172 159 Q HA -0.085 4.255 4.340 -0.000 0.000 0.200 159 Q C 2.156 178.288 176.000 0.221 0.000 0.964 159 Q CA 1.152 57.088 55.803 0.222 0.000 0.855 159 Q CB -0.015 28.819 28.738 0.159 0.000 0.918 159 Q HN 0.545 nan 8.270 nan 0.000 0.444 160 M N -0.624 119.111 119.600 0.226 0.000 2.558 160 M HA -0.031 4.449 4.480 -0.000 0.000 0.255 160 M C 1.297 177.809 176.300 0.353 0.000 1.113 160 M CA 0.578 56.048 55.300 0.284 0.000 1.097 160 M CB 0.624 33.375 32.600 0.253 0.000 1.426 160 M HN 0.039 nan 8.290 nan 0.000 0.488 161 V N -1.225 118.854 119.914 0.275 0.000 3.097 161 V HA 0.204 4.324 4.120 -0.000 0.000 0.223 161 V C 2.188 178.332 176.094 0.084 0.000 1.199 161 V CA 1.050 63.493 62.300 0.238 0.000 1.260 161 V CB -0.707 31.293 31.823 0.295 0.000 1.155 161 V HN 0.309 nan 8.190 nan 0.000 0.509 162 A N 0.323 123.189 122.820 0.077 0.000 1.845 162 A HA -0.192 4.128 4.320 -0.000 0.000 0.215 162 A C 2.024 179.546 177.584 -0.104 0.000 1.195 162 A CA 1.935 53.949 52.037 -0.039 0.000 0.616 162 A CB -0.566 18.422 19.000 -0.021 0.000 0.832 162 A HN 0.541 nan 8.150 nan 0.000 0.443 163 E N 0.023 120.233 120.200 0.017 0.000 2.153 163 E HA -0.113 4.237 4.350 -0.000 0.000 0.194 163 E C 2.271 178.949 176.600 0.131 0.000 0.988 163 E CA 1.148 57.598 56.400 0.084 0.000 0.811 163 E CB -0.677 29.171 29.700 0.247 0.000 0.746 163 E HN 0.584 nan 8.360 nan 0.000 0.466 164 A N 1.587 124.487 122.820 0.134 0.000 1.933 164 A HA -0.090 4.230 4.320 -0.000 0.000 0.218 164 A C 2.411 180.002 177.584 0.011 0.000 1.175 164 A CA 2.004 54.129 52.037 0.148 0.000 0.628 164 A CB -0.465 18.666 19.000 0.218 0.000 0.814 164 A HN 0.273 nan 8.150 nan 0.000 0.444 165 A N -0.530 122.232 122.820 -0.096 0.000 1.968 165 A HA -0.052 4.268 4.320 -0.000 0.000 0.217 165 A C 2.229 179.689 177.584 -0.206 0.000 1.169 165 A CA 1.246 53.177 52.037 -0.177 0.000 0.638 165 A CB -0.330 18.541 19.000 -0.216 0.000 0.812 165 A HN 0.541 nan 8.150 nan 0.000 0.446 166 R N -1.960 118.344 120.500 -0.327 0.000 2.093 166 R HA 0.091 4.431 4.340 -0.000 0.000 0.224 166 R C -0.620 175.292 176.300 -0.647 0.000 1.101 166 R CA 0.595 56.327 56.100 -0.613 0.000 0.979 166 R CB -0.052 29.533 30.300 -1.192 0.000 0.877 166 R HN 0.459 nan 8.270 nan 0.000 0.441 167 F N -0.217 119.734 119.950 0.002 0.000 2.467 167 F HA 0.350 4.877 4.527 -0.000 0.000 0.336 167 F C 1.248 177.114 175.800 0.110 0.000 1.123 167 F CA -1.123 56.931 58.000 0.091 0.000 0.964 167 F CB 1.450 40.528 39.000 0.131 0.000 1.136 167 F HN -0.242 nan 8.300 nan 0.000 0.447 168 R N 2.039 122.716 120.500 0.295 0.000 2.189 168 R HA -0.181 4.159 4.340 -0.000 0.000 0.223 168 R C 1.479 177.911 176.300 0.221 0.000 1.092 168 R CA 1.430 57.647 56.100 0.196 0.000 0.989 168 R CB -0.303 30.090 30.300 0.155 0.000 0.876 168 R HN 0.818 nan 8.270 nan 0.000 0.457 169 Y N 0.381 120.790 120.300 0.182 0.000 2.163 169 Y HA -0.169 4.381 4.550 -0.000 0.000 0.288 169 Y C 1.899 177.861 175.900 0.103 0.000 1.136 169 Y CA 1.715 59.881 58.100 0.110 0.000 1.147 169 Y CB -0.079 38.421 38.460 0.067 0.000 0.987 169 Y HN -0.133 nan 8.280 nan 0.000 0.509 170 V N 0.318 120.463 119.914 0.386 0.000 2.307 170 V HA -0.295 3.825 4.120 -0.000 0.000 0.245 170 V C 2.590 178.797 176.094 0.189 0.000 1.045 170 V CA 2.114 64.593 62.300 0.298 0.000 1.024 170 V CB -1.090 30.953 31.823 0.366 0.000 0.651 170 V HN 0.648 nan 8.190 nan 0.000 0.449 171 S N 0.804 116.632 115.700 0.213 0.000 2.399 171 S HA -0.279 4.191 4.470 -0.000 0.000 0.231 171 S C 1.927 176.626 174.600 0.164 0.000 1.022 171 S CA 1.703 60.063 58.200 0.267 0.000 0.983 171 S CB -0.407 62.901 63.200 0.180 0.000 0.803 171 S HN 0.514 nan 8.310 nan 0.000 0.480 172 K N 1.738 122.158 120.400 0.033 0.000 2.025 172 K HA 0.125 4.445 4.320 -0.000 0.000 0.207 172 K C 2.016 178.510 176.600 -0.177 0.000 1.049 172 K CA 1.069 57.317 56.287 -0.065 0.000 0.933 172 K CB -1.005 31.428 32.500 -0.112 0.000 0.714 172 K HN 0.327 nan 8.250 nan 0.000 0.438 173 L N 0.828 121.874 121.223 -0.294 0.000 2.083 173 L HA -0.109 4.231 4.340 -0.000 0.000 0.209 173 L C 2.288 178.867 176.870 -0.484 0.000 1.083 173 L CA 1.226 55.766 54.840 -0.499 0.000 0.752 173 L CB -0.752 40.969 42.059 -0.562 0.000 0.899 173 L HN 0.083 nan 8.230 nan 0.000 0.433 174 V N -1.115 118.702 119.914 -0.163 0.000 2.427 174 V HA -0.211 3.909 4.120 -0.000 0.000 0.248 174 V C 2.587 178.561 176.094 -0.200 0.000 1.051 174 V CA 1.025 63.262 62.300 -0.105 0.000 1.048 174 V CB -0.216 31.513 31.823 -0.156 0.000 0.666 174 V HN 0.190 nan 8.190 nan 0.000 0.456 175 V N 0.842 120.678 119.914 -0.130 0.000 2.358 175 V HA -0.242 3.878 4.120 -0.000 0.000 0.246 175 V C 2.319 178.354 176.094 -0.099 0.000 1.047 175 V CA 2.298 64.554 62.300 -0.073 0.000 1.035 175 V CB -0.600 31.237 31.823 0.024 0.000 0.658 175 V HN 0.680 nan 8.190 nan 0.000 0.452 176 I N -0.777 119.699 120.570 -0.156 0.000 2.361 176 I HA -0.192 3.978 4.170 -0.000 0.000 0.251 176 I C 2.510 178.542 176.117 -0.143 0.000 1.133 176 I CA 2.139 63.348 61.300 -0.151 0.000 1.413 176 I CB -0.367 37.517 38.000 -0.194 0.000 1.073 176 I HN 0.280 nan 8.210 nan 0.000 0.424 177 S N 1.373 116.959 115.700 -0.189 0.000 2.359 177 S HA -0.161 4.309 4.470 -0.000 0.000 0.224 177 S C 2.021 176.606 174.600 -0.025 0.000 1.035 177 S CA 1.843 59.996 58.200 -0.079 0.000 1.018 177 S CB -0.594 62.633 63.200 0.046 0.000 0.876 177 S HN 0.587 nan 8.310 nan 0.000 0.448 178 L N 0.956 122.154 121.223 -0.043 0.000 2.012 178 L HA -0.105 4.235 4.340 -0.000 0.000 0.210 178 L C 2.815 179.679 176.870 -0.011 0.000 1.073 178 L CA 1.605 56.433 54.840 -0.020 0.000 0.748 178 L CB -0.688 41.357 42.059 -0.023 0.000 0.891 178 L HN 0.304 nan 8.230 nan 0.000 0.431 179 S N -0.163 115.524 115.700 -0.021 0.000 2.382 179 S HA -0.147 4.323 4.470 -0.000 0.000 0.228 179 S C 1.689 176.279 174.600 -0.016 0.000 1.027 179 S CA 1.308 59.498 58.200 -0.015 0.000 0.991 179 S CB -0.332 62.855 63.200 -0.022 0.000 0.823 179 S HN 0.429 nan 8.310 nan 0.000 0.469 180 N N 0.590 119.275 118.700 -0.025 0.000 2.409 180 N HA 0.058 4.798 4.740 -0.000 0.000 0.179 180 N C 0.540 176.049 175.510 -0.003 0.000 1.032 180 N CA 0.283 53.323 53.050 -0.017 0.000 0.898 180 N CB -0.235 38.236 38.487 -0.027 0.000 0.971 180 N HN 0.161 nan 8.380 nan 0.000 0.441 181 R N -0.517 119.984 120.500 0.002 0.000 3.422 181 R HA -0.196 4.144 4.340 -0.000 0.000 0.267 181 R C -1.315 174.996 176.300 0.019 0.000 1.074 181 R CA 0.753 56.858 56.100 0.010 0.000 0.718 181 R CB -1.787 28.515 30.300 0.004 0.000 1.157 181 R HN 0.256 nan 8.270 nan 0.000 0.440 182 A N -0.432 122.408 122.820 0.033 0.000 2.427 182 A HA 0.843 5.163 4.320 -0.000 0.000 0.298 182 A C 0.108 177.755 177.584 0.105 0.000 1.036 182 A CA -0.208 51.859 52.037 0.050 0.000 0.701 182 A CB 1.446 20.468 19.000 0.037 0.000 1.250 182 A HN 0.589 nan 8.150 nan 0.000 0.412 183 A N 1.215 124.093 122.820 0.096 0.000 2.387 183 A HA 0.755 5.075 4.320 -0.000 0.000 0.251 183 A C -0.126 177.595 177.584 0.228 0.000 1.113 183 A CA 0.762 52.871 52.037 0.121 0.000 0.794 183 A CB -0.106 18.910 19.000 0.027 0.000 1.069 183 A HN 2.041 nan 8.150 nan 0.000 0.506 184 F N -2.830 117.112 119.950 -0.013 0.000 2.725 184 F HA 0.614 5.141 4.527 -0.000 0.000 0.309 184 F C -1.101 174.696 175.800 -0.005 0.000 1.132 184 F CA -0.917 57.077 58.000 -0.010 0.000 0.957 184 F CB 0.873 39.864 39.000 -0.016 0.000 1.286 184 F HN 0.583 nan 8.300 nan 0.000 0.440 185 Q N 2.022 121.832 119.800 0.017 0.000 2.301 185 Q HA 0.574 4.914 4.340 -0.000 0.000 0.267 185 Q C -2.750 173.302 176.000 0.086 0.000 1.035 185 Q CA -2.153 53.590 55.803 -0.099 0.000 0.856 185 Q CB 2.193 30.906 28.738 -0.041 0.000 1.337 185 Q HN 0.408 nan 8.270 nan 0.000 0.450 186 P HA -0.023 nan 4.420 nan 0.000 0.271 186 P C -1.176 176.185 177.300 0.101 0.000 1.226 186 P CA -0.188 62.989 63.100 0.128 0.000 0.765 186 P CB 0.416 32.134 31.700 0.030 0.000 0.835 187 D N 4.829 125.318 120.400 0.148 0.000 2.383 187 D HA 0.098 4.738 4.640 -0.000 0.000 0.248 187 D C -1.738 174.584 176.300 0.037 0.000 1.170 187 D CA -2.027 52.028 54.000 0.092 0.000 0.977 187 D CB -0.384 40.487 40.800 0.119 0.000 1.120 187 D HN 0.153 nan 8.370 nan 0.000 0.481 188 P HA -0.168 nan 4.420 nan 0.000 0.221 188 P C 1.195 178.456 177.300 -0.065 0.000 1.145 188 P CA 1.329 64.414 63.100 -0.024 0.000 0.795 188 P CB -0.018 31.673 31.700 -0.014 0.000 0.775 189 S N -1.293 114.360 115.700 -0.078 0.000 2.414 189 S HA -0.042 4.428 4.470 -0.000 0.000 0.227 189 S C 2.112 176.488 174.600 -0.373 0.000 1.022 189 S CA 0.437 58.517 58.200 -0.200 0.000 0.958 189 S CB -1.152 61.940 63.200 -0.180 0.000 0.797 189 S HN 0.029 nan 8.310 nan 0.000 0.493 190 M N 1.206 120.659 119.600 -0.245 0.000 2.175 190 M HA 0.102 4.582 4.480 -0.000 0.000 0.264 190 M C 1.811 177.990 176.300 -0.203 0.000 1.063 190 M CA 1.382 56.549 55.300 -0.223 0.000 1.119 190 M CB -0.305 32.389 32.600 0.157 0.000 1.377 190 M HN 0.313 nan 8.290 nan 0.000 0.415 191 L N -1.325 119.820 121.223 -0.131 0.000 2.156 191 L HA -0.140 4.200 4.340 -0.000 0.000 0.208 191 L C 2.612 179.416 176.870 -0.109 0.000 1.095 191 L CA 0.992 55.766 54.840 -0.110 0.000 0.770 191 L CB -0.854 41.156 42.059 -0.082 0.000 0.914 191 L HN 0.355 nan 8.230 nan 0.000 0.439 192 S N 0.486 116.102 115.700 -0.141 0.000 2.356 192 S HA -0.146 4.324 4.470 -0.000 0.000 0.223 192 S C 2.020 176.525 174.600 -0.158 0.000 1.032 192 S CA 1.272 59.400 58.200 -0.120 0.000 1.005 192 S CB -0.186 62.937 63.200 -0.129 0.000 0.867 192 S HN 0.291 nan 8.310 nan 0.000 0.449 193 L N 1.005 122.021 121.223 -0.345 0.000 2.017 193 L HA -0.100 4.240 4.340 -0.000 0.000 0.208 193 L C 2.690 179.352 176.870 -0.345 0.000 1.073 193 L CA 1.655 56.153 54.840 -0.569 0.000 0.745 193 L CB -0.660 40.639 42.059 -1.266 0.000 0.894 193 L HN 0.373 nan 8.230 nan 0.000 0.432 194 E N 0.229 120.300 120.200 -0.214 0.000 2.058 194 E HA -0.199 4.151 4.350 -0.000 0.000 0.194 194 E C 1.634 178.394 176.600 0.267 0.000 0.997 194 E CA 1.294 57.784 56.400 0.150 0.000 0.801 194 E CB -0.196 29.594 29.700 0.150 0.000 0.746 194 E HN 0.472 nan 8.360 nan 0.000 0.450 195 N N -0.064 118.731 118.700 0.159 0.000 2.571 195 N HA -0.035 4.705 4.740 -0.000 0.000 0.189 195 N C 0.520 176.136 175.510 0.177 0.000 1.154 195 N CA 0.808 53.965 53.050 0.178 0.000 0.907 195 N CB 0.444 38.993 38.487 0.103 0.000 0.977 195 N HN 0.056 nan 8.380 nan 0.000 0.449 196 T N -1.559 113.115 114.554 0.199 0.000 3.170 196 T HA 0.032 4.382 4.350 -0.000 0.000 0.288 196 T C 1.011 175.882 174.700 0.285 0.000 0.992 196 T CA -0.625 61.584 62.100 0.181 0.000 0.909 196 T CB 0.302 69.225 68.868 0.092 0.000 1.133 196 T HN 0.240 nan 8.240 nan 0.000 0.530 197 W N 2.924 124.360 121.300 0.227 0.000 2.317 197 W HA -0.161 4.499 4.660 -0.000 0.000 0.318 197 W C 1.945 178.514 176.519 0.084 0.000 1.227 197 W CA 1.750 59.236 57.345 0.236 0.000 1.269 197 W CB -0.196 29.398 29.460 0.223 0.000 1.155 197 W HN 0.386 nan 8.180 nan 0.000 0.484 198 E N -0.099 120.113 120.200 0.021 0.000 2.031 198 E HA -0.234 4.116 4.350 -0.000 0.000 0.193 198 E C -0.144 176.342 176.600 -0.189 0.000 0.994 198 E CA 2.143 58.416 56.400 -0.212 0.000 0.800 198 E CB -0.987 28.697 29.700 -0.026 0.000 0.752 198 E HN 0.112 nan 8.360 nan 0.000 0.447 199 P HA -0.164 nan 4.420 nan 0.000 0.217 199 P C 1.764 178.962 177.300 -0.170 0.000 1.150 199 P CA 1.011 64.047 63.100 -0.108 0.000 0.832 199 P CB -0.095 31.573 31.700 -0.052 0.000 0.787 200 L N -0.191 120.952 121.223 -0.132 0.000 2.012 200 L HA -0.161 4.179 4.340 -0.000 0.000 0.210 200 L C 2.527 179.237 176.870 -0.267 0.000 1.073 200 L CA 1.725 56.464 54.840 -0.169 0.000 0.748 200 L CB -0.701 41.363 42.059 0.008 0.000 0.891 200 L HN 0.000 nan 8.230 nan 0.000 0.431 201 S N -0.712 114.802 115.700 -0.310 0.000 2.370 201 S HA -0.247 4.223 4.470 -0.000 0.000 0.226 201 S C 1.960 176.385 174.600 -0.292 0.000 1.033 201 S CA 1.389 59.373 58.200 -0.360 0.000 1.011 201 S CB -0.331 62.526 63.200 -0.572 0.000 0.852 201 S HN 0.382 nan 8.310 nan 0.000 0.457 202 R N 1.118 121.468 120.500 -0.251 0.000 2.092 202 R HA -0.047 4.293 4.340 -0.000 0.000 0.231 202 R C 2.377 178.615 176.300 -0.103 0.000 1.119 202 R CA 1.193 57.217 56.100 -0.126 0.000 0.970 202 R CB -0.446 29.786 30.300 -0.112 0.000 0.864 202 R HN 0.389 nan 8.270 nan 0.000 0.440 203 A N 0.509 123.130 122.820 -0.331 0.000 1.845 203 A HA -0.130 4.190 4.320 -0.000 0.000 0.215 203 A C 2.272 179.493 177.584 -0.605 0.000 1.195 203 A CA 1.731 53.378 52.037 -0.650 0.000 0.616 203 A CB -0.904 17.327 19.000 -1.283 0.000 0.832 203 A HN 0.197 nan 8.150 nan 0.000 0.443 204 V N 0.199 119.780 119.914 -0.556 0.000 2.231 204 V HA -0.387 3.733 4.120 -0.000 0.000 0.250 204 V C 2.660 178.825 176.094 0.118 0.000 1.058 204 V CA 2.522 64.778 62.300 -0.074 0.000 1.022 204 V CB -1.075 30.744 31.823 -0.007 0.000 0.640 204 V HN 0.685 nan 8.190 nan 0.000 0.445 205 Q N -1.358 118.408 119.800 -0.056 0.000 2.364 205 Q HA -0.166 4.174 4.340 -0.000 0.000 0.209 205 Q C 1.910 177.808 176.000 -0.170 0.000 0.977 205 Q CA 1.090 56.802 55.803 -0.151 0.000 0.885 205 Q CB -0.130 28.402 28.738 -0.343 0.000 0.941 205 Q HN 0.728 nan 8.270 nan 0.000 0.464 206 H N -0.446 118.630 119.070 0.011 0.000 2.551 206 H HA 0.125 4.681 4.556 -0.000 0.000 0.271 206 H C 0.140 175.547 175.328 0.132 0.000 0.984 206 H CA 0.192 56.265 56.048 0.042 0.000 1.164 206 H CB 0.494 30.247 29.762 -0.016 0.000 1.437 206 H HN 0.083 nan 8.280 nan 0.000 0.550 207 T N 2.090 116.821 114.554 0.294 0.000 2.891 207 T HA 0.119 4.469 4.350 -0.000 0.000 0.296 207 T C 0.258 175.029 174.700 0.119 0.000 1.025 207 T CA 0.396 62.646 62.100 0.251 0.000 1.149 207 T CB 0.655 69.618 68.868 0.158 0.000 1.007 207 T HN -0.054 nan 8.240 nan 0.000 0.528 208 V N 4.692 124.649 119.914 0.072 0.000 2.733 208 V HA 0.328 4.448 4.120 -0.000 0.000 0.306 208 V C -0.088 176.000 176.094 -0.011 0.000 1.084 208 V CA -1.017 61.301 62.300 0.030 0.000 0.905 208 V CB 1.976 33.833 31.823 0.056 0.000 1.010 208 V HN 0.849 nan 8.190 nan 0.000 0.424 209 Q N 2.485 122.264 119.800 -0.035 0.000 2.453 209 Q HA -0.245 4.095 4.340 -0.000 0.000 0.294 209 Q C 0.626 176.581 176.000 -0.076 0.000 1.295 209 Q CA 1.221 56.996 55.803 -0.047 0.000 0.853 209 Q CB -1.174 27.548 28.738 -0.028 0.000 1.193 209 Q HN 1.169 nan 8.270 nan 0.000 0.461 210 D N -1.846 118.487 120.400 -0.112 0.000 3.018 210 D HA -0.158 4.482 4.640 -0.000 0.000 0.224 210 D C -0.824 175.365 176.300 -0.185 0.000 1.185 210 D CA 2.021 55.930 54.000 -0.151 0.000 0.858 210 D CB -0.251 40.471 40.800 -0.131 0.000 1.112 210 D HN 0.471 nan 8.370 nan 0.000 0.415 211 T N 0.313 114.791 114.554 -0.126 0.000 2.863 211 T HA 0.535 4.885 4.350 -0.000 0.000 0.285 211 T C -0.113 174.598 174.700 0.018 0.000 1.009 211 T CA -0.690 61.318 62.100 -0.153 0.000 0.989 211 T CB 0.801 69.621 68.868 -0.081 0.000 1.004 211 T HN -0.078 nan 8.240 nan 0.000 0.455 212 F N 2.751 122.703 119.950 0.003 0.000 2.418 212 F HA 0.343 4.870 4.527 -0.000 0.000 0.341 212 F C -1.305 174.499 175.800 0.007 0.000 1.120 212 F CA -2.501 55.508 58.000 0.015 0.000 1.232 212 F CB 0.041 39.045 39.000 0.008 0.000 1.175 212 F HN 0.388 nan 8.300 nan 0.000 0.569 213 P HA -0.086 nan 4.420 nan 0.000 0.219 213 P C -0.756 176.580 177.300 0.061 0.000 1.150 213 P CA 1.389 64.542 63.100 0.089 0.000 0.814 213 P CB 0.284 32.002 31.700 0.030 0.000 0.787 214 Q N -0.731 119.114 119.800 0.075 0.000 2.331 214 Q HA 0.306 4.646 4.340 -0.000 0.000 0.272 214 Q C -0.620 175.439 176.000 0.099 0.000 1.062 214 Q CA -0.775 55.056 55.803 0.047 0.000 0.806 214 Q CB 1.174 29.907 28.738 -0.008 0.000 1.312 214 Q HN -0.108 nan 8.270 nan 0.000 0.431 215 N N 0.407 119.157 118.700 0.084 0.000 2.381 215 N HA 0.186 4.926 4.740 -0.000 0.000 0.241 215 N C -0.885 174.678 175.510 0.087 0.000 1.279 215 N CA 0.210 53.324 53.050 0.107 0.000 0.896 215 N CB 0.667 39.187 38.487 0.054 0.000 1.118 215 N HN 0.248 nan 8.380 nan 0.000 0.438 216 V N 0.864 120.843 119.914 0.108 0.000 2.531 216 V HA 0.292 4.412 4.120 -0.000 0.000 0.301 216 V C 0.009 176.119 176.094 0.027 0.000 1.034 216 V CA -0.694 61.636 62.300 0.050 0.000 0.865 216 V CB 1.932 33.778 31.823 0.037 0.000 0.995 216 V HN 0.579 nan 8.190 nan 0.000 0.424 217 T N 6.581 121.140 114.554 0.009 0.000 2.795 217 T HA 0.697 5.047 4.350 -0.000 0.000 0.282 217 T C -0.350 174.342 174.700 -0.014 0.000 0.980 217 T CA -0.195 61.902 62.100 -0.005 0.000 1.012 217 T CB 0.737 69.604 68.868 -0.001 0.000 0.936 217 T HN 0.340 nan 8.240 nan 0.000 0.457 218 L N 3.285 124.491 121.223 -0.029 0.000 2.319 218 L HA 0.680 5.020 4.340 -0.000 0.000 0.267 218 L C -0.564 176.285 176.870 -0.036 0.000 1.011 218 L CA -1.190 53.626 54.840 -0.041 0.000 0.818 218 L CB 1.866 43.892 42.059 -0.055 0.000 1.316 218 L HN 0.480 nan 8.230 nan 0.000 0.432 219 I N 1.245 121.786 120.570 -0.048 0.000 2.465 219 I HA 0.296 4.466 4.170 -0.000 0.000 0.291 219 I C -0.289 175.800 176.117 -0.047 0.000 1.014 219 I CA -0.428 60.850 61.300 -0.036 0.000 1.093 219 I CB 1.959 39.940 38.000 -0.032 0.000 1.267 219 I HN 0.747 nan 8.210 nan 0.000 0.431 220 N N 4.157 122.843 118.700 -0.022 0.000 2.643 220 N HA 0.345 5.085 4.740 -0.000 0.000 0.305 220 N C 0.962 176.473 175.510 0.001 0.000 1.283 220 N CA -0.868 52.175 53.050 -0.012 0.000 0.946 220 N CB 1.241 39.735 38.487 0.011 0.000 1.149 220 N HN 0.278 nan 8.380 nan 0.000 0.600 221 V N -1.395 118.532 119.914 0.022 0.000 2.324 221 V HA -0.193 3.927 4.120 -0.000 0.000 0.250 221 V C 2.073 178.179 176.094 0.021 0.000 1.060 221 V CA 1.493 63.811 62.300 0.030 0.000 1.042 221 V CB -1.060 30.790 31.823 0.044 0.000 0.650 221 V HN 0.581 nan 8.190 nan 0.000 0.450 222 R N -0.280 120.231 120.500 0.018 0.000 2.328 222 R HA 0.168 4.508 4.340 -0.000 0.000 0.200 222 R C 0.951 177.256 176.300 0.009 0.000 0.983 222 R CA 0.195 56.303 56.100 0.014 0.000 1.062 222 R CB -0.580 29.728 30.300 0.014 0.000 0.956 222 R HN 0.699 nan 8.270 nan 0.000 0.479 223 Q N -0.464 119.339 119.800 0.006 0.000 2.503 223 Q HA -0.224 4.115 4.340 -0.000 0.000 0.267 223 Q C -1.066 174.935 176.000 0.001 0.000 1.030 223 Q CA 1.008 56.812 55.803 0.001 0.000 1.041 223 Q CB -1.396 27.343 28.738 0.001 0.000 1.406 223 Q HN 0.542 nan 8.270 nan 0.000 0.524 224 E N 0.947 121.150 120.200 0.004 0.000 2.313 224 E HA 0.291 4.641 4.350 -0.000 0.000 0.272 224 E C -0.009 176.593 176.600 0.004 0.000 1.038 224 E CA -0.752 55.652 56.400 0.006 0.000 0.863 224 E CB 0.716 30.423 29.700 0.012 0.000 1.060 224 E HN 0.022 nan 8.360 nan 0.000 0.402 225 R N 1.788 122.290 120.500 0.004 0.000 2.288 225 R HA 0.148 4.488 4.340 -0.000 0.000 0.330 225 R C -0.793 175.510 176.300 0.005 0.000 1.069 225 R CA -0.241 55.860 56.100 0.001 0.000 0.941 225 R CB 0.134 30.435 30.300 0.002 0.000 0.998 225 R HN 0.278 nan 8.270 nan 0.000 0.452 226 V N 4.868 124.781 119.914 -0.001 0.000 2.304 226 V HA 0.117 4.237 4.120 -0.000 0.000 0.269 226 V C 0.356 176.431 176.094 -0.031 0.000 1.036 226 V CA -0.710 61.592 62.300 0.003 0.000 0.840 226 V CB 1.499 33.331 31.823 0.016 0.000 1.036 226 V HN 0.371 nan 8.190 nan 0.000 0.466 227 V N 6.569 126.470 119.914 -0.021 0.000 2.372 227 V HA 0.219 4.339 4.120 -0.000 0.000 0.261 227 V C 0.294 176.340 176.094 -0.081 0.000 1.055 227 V CA -0.252 62.029 62.300 -0.032 0.000 0.930 227 V CB 1.108 32.928 31.823 -0.005 0.000 1.031 227 V HN 0.577 nan 8.190 nan 0.000 0.479 228 V N 4.305 124.145 119.914 -0.122 0.000 2.509 228 V HA 0.412 4.532 4.120 -0.000 0.000 0.284 228 V C 0.890 176.977 176.094 -0.010 0.000 1.047 228 V CA 0.365 62.541 62.300 -0.206 0.000 0.952 228 V CB 1.591 33.267 31.823 -0.244 0.000 0.988 228 V HN 0.913 nan 8.190 nan 0.000 0.469 229 S N 2.105 117.725 115.700 -0.134 0.000 2.820 229 S HA 0.166 4.636 4.470 -0.000 0.000 0.265 229 S C 0.283 174.482 174.600 -0.669 0.000 1.043 229 S CA 0.326 58.407 58.200 -0.198 0.000 1.245 229 S CB 0.264 63.418 63.200 -0.077 0.000 1.187 229 S HN 0.785 nan 8.310 nan 0.000 0.673 230 S N 1.130 116.391 115.700 -0.731 0.000 2.500 230 S HA 0.546 5.016 4.470 -0.000 0.000 0.301 230 S C 0.516 174.659 174.600 -0.762 0.000 1.092 230 S CA -0.704 57.081 58.200 -0.691 0.000 1.030 230 S CB 1.368 64.424 63.200 -0.240 0.000 1.031 230 S HN 0.314 nan 8.310 nan 0.000 0.483 231 L N 5.056 125.925 121.223 -0.591 0.000 2.275 231 L HA 0.133 4.473 4.340 -0.000 0.000 0.215 231 L C 1.824 178.694 176.870 -0.000 0.000 1.119 231 L CA 2.300 57.087 54.840 -0.089 0.000 0.790 231 L CB -0.653 41.414 42.059 0.013 0.000 0.919 231 L HN 0.826 nan 8.230 nan 0.000 0.443 232 S N -1.997 113.664 115.700 -0.065 0.000 2.622 232 S HA 0.064 4.534 4.470 -0.000 0.000 0.236 232 S C 0.713 175.319 174.600 0.010 0.000 0.956 232 S CA -0.613 57.578 58.200 -0.016 0.000 0.971 232 S CB -0.953 62.218 63.200 -0.048 0.000 0.782 232 S HN 0.486 nan 8.310 nan 0.000 0.468 233 H N 2.789 121.828 119.070 -0.051 0.000 2.722 233 H HA 0.234 4.790 4.556 -0.000 0.000 0.328 233 H C -1.947 173.397 175.328 0.027 0.000 1.067 233 H CA -1.351 54.684 56.048 -0.022 0.000 1.447 233 H CB 1.525 31.271 29.762 -0.027 0.000 1.469 233 H HN 0.049 nan 8.280 nan 0.000 0.544 234 P HA -0.219 nan 4.420 nan 0.000 0.217 234 P C 1.590 178.994 177.300 0.172 0.000 1.151 234 P CA 2.157 65.270 63.100 0.021 0.000 0.849 234 P CB 0.091 31.745 31.700 -0.077 0.000 0.787 235 S N -1.181 114.741 115.700 0.370 0.000 2.419 235 S HA -0.127 4.343 4.470 -0.000 0.000 0.235 235 S C 1.907 176.649 174.600 0.236 0.000 1.019 235 S CA 1.304 59.679 58.200 0.291 0.000 0.982 235 S CB -1.776 61.584 63.200 0.268 0.000 0.789 235 S HN -0.005 nan 8.310 nan 0.000 0.490 236 V N 3.089 123.159 119.914 0.259 0.000 2.720 236 V HA -0.137 3.983 4.120 -0.000 0.000 0.256 236 V C 2.874 179.090 176.094 0.203 0.000 1.082 236 V CA 1.692 64.133 62.300 0.236 0.000 1.101 236 V CB -1.261 30.717 31.823 0.258 0.000 0.693 236 V HN 0.830 nan 8.190 nan 0.000 0.479 237 S N 0.815 116.622 115.700 0.178 0.000 2.507 237 S HA 0.003 4.473 4.470 -0.000 0.000 0.235 237 S C 1.887 176.596 174.600 0.182 0.000 0.988 237 S CA 0.899 59.191 58.200 0.153 0.000 0.944 237 S CB -0.292 62.980 63.200 0.119 0.000 0.762 237 S HN 0.572 nan 8.310 nan 0.000 0.526 238 A N 0.514 123.470 122.820 0.227 0.000 2.167 238 A HA 0.375 4.695 4.320 -0.000 0.000 0.214 238 A C 0.820 178.641 177.584 0.395 0.000 1.151 238 A CA 0.107 52.323 52.037 0.298 0.000 0.735 238 A CB -0.344 18.818 19.000 0.270 0.000 0.802 238 A HN 0.508 nan 8.150 nan 0.000 0.467 239 L N -0.176 121.237 121.223 0.316 0.000 2.278 239 L HA 0.570 4.910 4.340 -0.000 0.000 0.287 239 L C 0.982 177.927 176.870 0.127 0.000 1.072 239 L CA 0.356 55.345 54.840 0.249 0.000 0.819 239 L CB 1.111 43.299 42.059 0.215 0.000 1.176 239 L HN 0.122 nan 8.230 nan 0.000 0.435 240 A N 5.757 128.604 122.820 0.045 0.000 2.140 240 A HA 0.387 4.707 4.320 -0.000 0.000 0.209 240 A C 0.336 177.916 177.584 -0.006 0.000 1.181 240 A CA 0.193 52.240 52.037 0.018 0.000 0.824 240 A CB 0.203 19.203 19.000 -0.001 0.000 0.879 240 A HN 0.549 nan 8.150 nan 0.000 0.480 241 L N 0.497 121.711 121.223 -0.016 0.000 2.543 241 L HA 0.478 4.818 4.340 -0.000 0.000 0.265 241 L C -1.398 175.592 176.870 0.199 0.000 0.945 241 L CA -0.386 54.482 54.840 0.046 0.000 0.869 241 L CB 2.104 44.161 42.059 -0.003 0.000 1.294 241 L HN 0.273 nan 8.230 nan 0.000 0.405 242 M N 4.291 123.955 119.600 0.106 0.000 2.537 242 M HA 0.405 4.885 4.480 -0.000 0.000 0.324 242 M C -0.640 175.583 176.300 -0.128 0.000 1.187 242 M CA -0.858 54.408 55.300 -0.057 0.000 0.993 242 M CB 2.195 34.711 32.600 -0.140 0.000 1.666 242 M HN 0.336 nan 8.290 nan 0.000 0.461 243 L N 2.339 123.170 121.223 -0.653 0.000 2.397 243 L HA 0.349 4.689 4.340 -0.000 0.000 0.271 243 L C -1.009 175.706 176.870 -0.258 0.000 1.148 243 L CA -0.041 54.457 54.840 -0.570 0.000 0.825 243 L CB 0.631 42.002 42.059 -1.146 0.000 1.117 243 L HN 0.662 nan 8.230 nan 0.000 0.456 244 F N 4.835 124.670 119.950 -0.192 0.000 2.484 244 F HA 0.254 4.781 4.527 -0.000 0.000 0.360 244 F C 0.349 176.063 175.800 -0.143 0.000 1.101 244 F CA 0.065 57.975 58.000 -0.149 0.000 1.251 244 F CB 0.869 39.809 39.000 -0.100 0.000 1.132 244 F HN 0.329 nan 8.300 nan 0.000 0.570 245 V N 3.666 122.961 119.914 -1.032 0.000 3.103 245 V HA 0.132 4.252 4.120 -0.000 0.000 0.229 245 V C -0.172 175.411 176.094 -0.852 0.000 1.304 245 V CA 0.732 62.631 62.300 -0.670 0.000 1.298 245 V CB 0.482 32.076 31.823 -0.382 0.000 1.093 245 V HN 1.001 nan 8.190 nan 0.000 0.489 246 C N -0.607 118.016 119.300 -1.128 0.000 3.283 246 C HA 0.563 5.023 4.460 -0.000 0.000 0.359 246 C C -1.107 173.548 174.990 -0.558 0.000 1.160 246 C CA -1.360 57.245 59.018 -0.689 0.000 1.232 246 C CB 0.187 27.690 27.740 -0.395 0.000 1.571 246 C HN 0.415 nan 8.230 nan 0.000 0.522 247 N N 2.559 121.136 118.700 -0.204 0.000 2.444 247 N HA 0.659 5.399 4.740 -0.000 0.000 0.271 247 N C -2.322 173.101 175.510 -0.145 0.000 1.069 247 N CA -0.535 52.453 53.050 -0.102 0.000 0.965 247 N CB 1.046 39.564 38.487 0.052 0.000 1.092 247 N HN 0.693 nan 8.380 nan 0.000 0.476 248 P HA 0.159 nan 4.420 nan 0.000 0.279 248 P C -0.144 177.119 177.300 -0.061 0.000 1.239 248 P CA -0.233 62.788 63.100 -0.131 0.000 0.789 248 P CB 1.795 33.403 31.700 -0.154 0.000 0.933 249 L N 1.002 122.211 121.223 -0.023 0.000 1.268 249 L HA 0.155 4.495 4.340 -0.000 0.000 0.077 249 L C -0.137 176.739 176.870 0.011 0.000 1.481 249 L CA 0.014 54.853 54.840 -0.001 0.000 1.138 249 L CB -0.400 41.655 42.059 -0.007 0.000 2.323 249 L HN 0.257 nan 8.230 nan 0.000 0.449 250 N N 0.000 118.703 118.700 0.006 0.000 1.763 250 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 250 N CA 0.000 53.058 53.050 0.013 0.000 0.885 250 N CB 0.000 38.494 38.487 0.011 0.000 1.341 250 N HN 0.000 nan 8.380 nan 0.000 0.667