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 3m9u_1_D DATA FIRST_RESID 1 DATA SEQUENCE SLINARLIAF EDQWVPALNA PLKQAILADS QDAQLAAAMT YSVLAGGKRL DATA SEQUENCE RPLLTVATMQ SLGVTFVPER HWRPVMALEL LHTYSLIHDD LPAMDNDALR DATA SEQUENCE RGEPTNHVKF GAGMATLAGD GLLTLAFQWL TATDLPATMQ AALVQALATA DATA SEQUENCE AGPSGMVAGQ AKDIQSEHVN LPLSQLRVLH KEKTGALLHY AVQAGLILGQ DATA SEQUENCE APEAQWPAYL QFADAFGLAF QIYDDILDVV SSPAXXXXXX XXXXXEAKNT DATA SEQUENCE YPGKLGLIGA NQALIDTIHS GQAALQGLPT STQRDDLAAF FSYFDTERV 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 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.614 174.600 0.024 0.000 1.055 1 S CA 0.000 58.231 58.200 0.051 0.000 1.107 1 S CB 0.000 63.228 63.200 0.047 0.000 0.593 2 L N 3.950 125.178 121.223 0.008 0.000 2.728 2 L HA 0.455 4.795 4.340 -0.000 0.000 0.238 2 L C 0.280 177.121 176.870 -0.048 0.000 1.143 2 L CA -0.086 54.747 54.840 -0.012 0.000 0.937 2 L CB 0.025 42.080 42.059 -0.006 0.000 1.225 2 L HN 0.614 nan 8.230 nan 0.000 0.507 3 I N 2.680 123.212 120.570 -0.065 0.000 2.828 3 I HA -0.152 4.018 4.170 -0.000 0.000 0.292 3 I C 0.504 176.553 176.117 -0.112 0.000 1.206 3 I CA 0.173 61.392 61.300 -0.134 0.000 1.420 3 I CB 0.021 37.951 38.000 -0.117 0.000 1.368 3 I HN 0.380 nan 8.210 nan 0.000 0.556 4 N N 5.800 124.416 118.700 -0.141 0.000 2.491 4 N HA 0.397 5.137 4.740 -0.000 0.000 0.279 4 N C 0.630 176.086 175.510 -0.090 0.000 1.236 4 N CA -0.301 52.694 53.050 -0.092 0.000 0.982 4 N CB 0.702 39.146 38.487 -0.072 0.000 1.194 4 N HN 0.509 nan 8.380 nan 0.000 0.582 5 A N 0.174 122.960 122.820 -0.056 0.000 1.902 5 A HA -0.125 4.195 4.320 -0.000 0.000 0.217 5 A C 2.158 179.720 177.584 -0.036 0.000 1.181 5 A CA 1.145 53.158 52.037 -0.040 0.000 0.623 5 A CB -0.689 18.297 19.000 -0.023 0.000 0.818 5 A HN 0.702 nan 8.150 nan 0.000 0.443 6 R N -1.295 119.181 120.500 -0.039 0.000 2.083 6 R HA -0.138 4.202 4.340 -0.000 0.000 0.237 6 R C 2.127 178.403 176.300 -0.040 0.000 1.137 6 R CA 1.551 57.639 56.100 -0.020 0.000 0.951 6 R CB -0.552 29.732 30.300 -0.026 0.000 0.851 6 R HN 0.490 nan 8.270 nan 0.000 0.434 7 L N 0.767 121.897 121.223 -0.156 0.000 2.056 7 L HA -0.110 4.229 4.340 -0.000 0.000 0.207 7 L C 2.068 178.831 176.870 -0.178 0.000 1.078 7 L CA 1.427 56.082 54.840 -0.309 0.000 0.749 7 L CB -0.457 41.261 42.059 -0.567 0.000 0.901 7 L HN 0.070 nan 8.230 nan 0.000 0.433 8 I N -0.260 120.234 120.570 -0.125 0.000 2.286 8 I HA -0.194 3.976 4.170 -0.000 0.000 0.248 8 I C 2.385 178.500 176.117 -0.002 0.000 1.115 8 I CA 1.524 62.789 61.300 -0.058 0.000 1.392 8 I CB -0.599 37.373 38.000 -0.048 0.000 1.065 8 I HN 0.283 nan 8.210 nan 0.000 0.418 9 A N -0.393 122.435 122.820 0.014 0.000 1.898 9 A HA -0.225 4.095 4.320 -0.000 0.000 0.216 9 A C 2.323 179.949 177.584 0.070 0.000 1.181 9 A CA 1.651 53.704 52.037 0.026 0.000 0.620 9 A CB -1.241 17.777 19.000 0.030 0.000 0.819 9 A HN 0.501 nan 8.150 nan 0.000 0.442 10 F N 0.520 120.472 119.950 0.003 0.000 2.102 10 F HA -0.141 4.386 4.527 -0.000 0.000 0.298 10 F C 2.316 178.211 175.800 0.159 0.000 1.105 10 F CA 2.154 60.231 58.000 0.128 0.000 1.239 10 F CB -0.106 38.941 39.000 0.077 0.000 0.991 10 F HN 0.338 nan 8.300 nan 0.000 0.474 11 E N -0.052 120.297 120.200 0.248 0.000 2.077 11 E HA -0.237 4.113 4.350 -0.000 0.000 0.193 11 E C 1.804 178.442 176.600 0.064 0.000 0.989 11 E CA 1.507 58.009 56.400 0.171 0.000 0.800 11 E CB -0.148 29.618 29.700 0.110 0.000 0.746 11 E HN 0.421 nan 8.360 nan 0.000 0.452 12 D N 0.084 120.490 120.400 0.009 0.000 2.117 12 D HA -0.189 4.451 4.640 -0.000 0.000 0.197 12 D C 1.850 178.076 176.300 -0.123 0.000 0.987 12 D CA 0.921 54.896 54.000 -0.042 0.000 0.829 12 D CB -0.242 40.531 40.800 -0.045 0.000 0.961 12 D HN 0.253 nan 8.370 nan 0.000 0.460 13 Q N -0.983 118.685 119.800 -0.221 0.000 2.049 13 Q HA -0.127 4.213 4.340 -0.000 0.000 0.198 13 Q C 1.881 177.527 176.000 -0.590 0.000 0.971 13 Q CA 1.147 56.668 55.803 -0.469 0.000 0.833 13 Q CB -0.073 28.265 28.738 -0.667 0.000 0.896 13 Q HN 0.348 nan 8.270 nan 0.000 0.434 14 W N -0.601 120.521 121.300 -0.296 0.000 2.539 14 W HA 0.015 4.675 4.660 -0.000 0.000 0.281 14 W C 2.118 178.564 176.519 -0.122 0.000 1.220 14 W CA 0.019 57.191 57.345 -0.288 0.000 1.332 14 W CB -0.044 29.126 29.460 -0.484 0.000 1.095 14 W HN -0.049 nan 8.180 nan 0.000 0.571 15 V N 1.590 121.585 119.914 0.136 0.000 2.261 15 V HA -0.241 3.879 4.120 -0.000 0.000 0.246 15 V C -0.504 175.648 176.094 0.097 0.000 1.047 15 V CA 1.968 64.347 62.300 0.131 0.000 1.015 15 V CB -2.013 29.879 31.823 0.116 0.000 0.642 15 V HN -0.034 nan 8.190 nan 0.000 0.446 16 P HA -0.116 nan 4.420 nan 0.000 0.217 16 P C 1.630 178.946 177.300 0.027 0.000 1.150 16 P CA 1.905 65.016 63.100 0.019 0.000 0.832 16 P CB -0.131 31.551 31.700 -0.031 0.000 0.787 17 A N -0.423 122.397 122.820 -0.001 0.000 1.873 17 A HA -0.138 4.182 4.320 -0.000 0.000 0.215 17 A C 2.205 179.909 177.584 0.200 0.000 1.186 17 A CA 1.328 53.379 52.037 0.024 0.000 0.616 17 A CB -1.615 17.322 19.000 -0.105 0.000 0.823 17 A HN 0.098 nan 8.150 nan 0.000 0.442 18 L N -0.257 121.147 121.223 0.301 0.000 2.083 18 L HA -0.196 4.144 4.340 -0.000 0.000 0.209 18 L C 2.157 179.340 176.870 0.522 0.000 1.083 18 L CA 1.234 56.369 54.840 0.491 0.000 0.752 18 L CB -0.653 41.592 42.059 0.309 0.000 0.899 18 L HN 0.363 nan 8.230 nan 0.000 0.433 19 N N 0.172 119.048 118.700 0.293 0.000 2.300 19 N HA -0.062 4.678 4.740 -0.000 0.000 0.179 19 N C 1.917 177.542 175.510 0.192 0.000 1.016 19 N CA 1.235 54.434 53.050 0.248 0.000 0.876 19 N CB -0.189 38.391 38.487 0.154 0.000 0.979 19 N HN 0.262 nan 8.380 nan 0.000 0.432 20 A N 1.640 124.518 122.820 0.097 0.000 1.892 20 A HA -0.100 4.220 4.320 -0.000 0.000 0.218 20 A C -0.332 177.207 177.584 -0.074 0.000 1.188 20 A CA 1.427 53.463 52.037 -0.003 0.000 0.631 20 A CB -1.496 17.474 19.000 -0.050 0.000 0.822 20 A HN 0.265 nan 8.150 nan 0.000 0.447 21 P HA 0.132 nan 4.420 nan 0.000 0.249 21 P C 1.184 178.401 177.300 -0.138 0.000 1.229 21 P CA 0.088 62.924 63.100 -0.439 0.000 0.788 21 P CB 0.042 30.973 31.700 -1.281 0.000 1.072 22 L N 0.192 121.546 121.223 0.219 0.000 1.989 22 L HA -0.203 4.137 4.340 -0.000 0.000 0.211 22 L C 2.578 179.645 176.870 0.329 0.000 1.071 22 L CA 1.767 56.899 54.840 0.486 0.000 0.749 22 L CB -0.628 41.695 42.059 0.440 0.000 0.890 22 L HN -0.027 nan 8.230 nan 0.000 0.431 23 K N -0.359 120.158 120.400 0.196 0.000 2.057 23 K HA -0.265 4.055 4.320 -0.000 0.000 0.207 23 K C 2.272 178.955 176.600 0.139 0.000 1.049 23 K CA 1.607 57.988 56.287 0.155 0.000 0.931 23 K CB -0.147 32.419 32.500 0.110 0.000 0.714 23 K HN 0.216 nan 8.250 nan 0.000 0.440 24 Q N 0.871 120.728 119.800 0.094 0.000 2.119 24 Q HA -0.104 4.236 4.340 -0.000 0.000 0.201 24 Q C 1.793 177.856 176.000 0.105 0.000 0.972 24 Q CA 1.779 57.621 55.803 0.065 0.000 0.847 24 Q CB -0.244 28.495 28.738 0.000 0.000 0.903 24 Q HN 0.375 nan 8.270 nan 0.000 0.433 25 A N 1.207 124.118 122.820 0.151 0.000 1.902 25 A HA -0.095 4.225 4.320 -0.000 0.000 0.217 25 A C 2.289 180.119 177.584 0.410 0.000 1.181 25 A CA 1.378 53.564 52.037 0.249 0.000 0.623 25 A CB -0.652 18.526 19.000 0.298 0.000 0.818 25 A HN 0.420 nan 8.150 nan 0.000 0.443 26 I N -0.705 120.122 120.570 0.428 0.000 2.252 26 I HA -0.235 3.935 4.170 -0.000 0.000 0.245 26 I C 2.478 178.715 176.117 0.199 0.000 1.102 26 I CA 1.019 62.513 61.300 0.323 0.000 1.385 26 I CB -0.290 37.844 38.000 0.224 0.000 1.064 26 I HN 0.299 nan 8.210 nan 0.000 0.414 27 L N 0.546 121.866 121.223 0.162 0.000 2.017 27 L HA -0.227 4.113 4.340 -0.000 0.000 0.208 27 L C 2.793 179.727 176.870 0.107 0.000 1.073 27 L CA 1.514 56.421 54.840 0.112 0.000 0.745 27 L CB -0.448 41.665 42.059 0.090 0.000 0.894 27 L HN 0.250 nan 8.230 nan 0.000 0.432 28 A N -0.947 121.945 122.820 0.119 0.000 1.972 28 A HA -0.221 4.099 4.320 -0.000 0.000 0.219 28 A C 1.563 179.220 177.584 0.122 0.000 1.169 28 A CA 1.926 54.024 52.037 0.102 0.000 0.635 28 A CB -0.361 18.692 19.000 0.088 0.000 0.810 28 A HN 0.398 nan 8.150 nan 0.000 0.446 29 D N -0.337 120.167 120.400 0.174 0.000 2.342 29 D HA 0.205 4.845 4.640 -0.000 0.000 0.221 29 D C -0.229 176.142 176.300 0.118 0.000 1.101 29 D CA 0.271 54.380 54.000 0.182 0.000 0.837 29 D CB 0.366 41.360 40.800 0.324 0.000 0.938 29 D HN 0.233 nan 8.370 nan 0.000 0.508 30 S N 0.048 115.803 115.700 0.093 0.000 2.568 30 S HA 0.361 4.831 4.470 -0.000 0.000 0.302 30 S C 0.551 175.180 174.600 0.049 0.000 1.082 30 S CA -0.631 57.604 58.200 0.058 0.000 1.009 30 S CB 2.525 65.756 63.200 0.051 0.000 1.069 30 S HN -0.090 nan 8.310 nan 0.000 0.500 31 Q N 1.193 121.014 119.800 0.035 0.000 2.112 31 Q HA 0.300 4.640 4.340 -0.000 0.000 0.222 31 Q C -1.211 174.804 176.000 0.026 0.000 0.798 31 Q CA 0.077 55.899 55.803 0.031 0.000 1.060 31 Q CB 0.705 29.460 28.738 0.028 0.000 1.184 31 Q HN 0.719 nan 8.270 nan 0.000 0.475 32 D N -1.045 119.370 120.400 0.025 0.000 2.855 32 D HA 0.478 5.118 4.640 -0.000 0.000 0.241 32 D C 0.522 176.838 176.300 0.026 0.000 1.277 32 D CA -0.115 53.898 54.000 0.023 0.000 0.918 32 D CB 1.370 42.181 40.800 0.017 0.000 1.462 32 D HN -0.026 nan 8.370 nan 0.000 0.559 33 A N 3.177 126.017 122.820 0.034 0.000 1.865 33 A HA -0.226 4.094 4.320 -0.000 0.000 0.217 33 A C 1.886 179.498 177.584 0.047 0.000 1.191 33 A CA 1.852 53.915 52.037 0.043 0.000 0.623 33 A CB -0.635 18.393 19.000 0.047 0.000 0.826 33 A HN 0.628 nan 8.150 nan 0.000 0.444 34 Q N -0.834 118.996 119.800 0.050 0.000 2.084 34 Q HA -0.123 4.217 4.340 -0.000 0.000 0.202 34 Q C 1.881 177.868 176.000 -0.021 0.000 0.978 34 Q CA 1.680 57.523 55.803 0.066 0.000 0.844 34 Q CB -0.459 28.334 28.738 0.092 0.000 0.898 34 Q HN 0.532 nan 8.270 nan 0.000 0.426 35 L N 0.072 121.278 121.223 -0.029 0.000 2.012 35 L HA -0.092 4.248 4.340 -0.000 0.000 0.210 35 L C 2.098 178.914 176.870 -0.090 0.000 1.073 35 L CA 2.332 57.129 54.840 -0.073 0.000 0.748 35 L CB -1.111 40.928 42.059 -0.033 0.000 0.891 35 L HN 0.258 nan 8.230 nan 0.000 0.431 36 A N -0.570 122.231 122.820 -0.032 0.000 1.908 36 A HA -0.140 4.180 4.320 -0.000 0.000 0.218 36 A C 2.454 180.030 177.584 -0.012 0.000 1.181 36 A CA 1.932 53.965 52.037 -0.006 0.000 0.627 36 A CB -1.220 17.800 19.000 0.033 0.000 0.818 36 A HN 0.597 nan 8.150 nan 0.000 0.445 37 A N -0.164 122.651 122.820 -0.008 0.000 1.902 37 A HA 0.131 4.451 4.320 -0.000 0.000 0.217 37 A C 2.510 179.997 177.584 -0.161 0.000 1.181 37 A CA 2.201 54.260 52.037 0.035 0.000 0.623 37 A CB -1.011 18.092 19.000 0.172 0.000 0.818 37 A HN 1.073 nan 8.150 nan 0.000 0.443 38 A N -0.645 121.815 122.820 -0.600 0.000 1.898 38 A HA -0.089 4.231 4.320 -0.000 0.000 0.216 38 A C 2.275 179.653 177.584 -0.344 0.000 1.181 38 A CA 1.776 53.158 52.037 -1.091 0.000 0.620 38 A CB -0.516 17.814 19.000 -1.118 0.000 0.819 38 A HN 0.534 nan 8.150 nan 0.000 0.442 39 M N -0.914 118.577 119.600 -0.183 0.000 2.132 39 M HA -0.112 4.368 4.480 -0.000 0.000 0.263 39 M C 2.212 178.510 176.300 -0.003 0.000 1.065 39 M CA 1.939 57.195 55.300 -0.072 0.000 1.122 39 M CB -0.690 31.871 32.600 -0.065 0.000 1.365 39 M HN 0.408 nan 8.290 nan 0.000 0.411 40 T N -0.377 114.196 114.554 0.031 0.000 2.821 40 T HA -0.182 4.168 4.350 -0.000 0.000 0.267 40 T C 1.531 176.307 174.700 0.126 0.000 1.046 40 T CA 1.153 63.306 62.100 0.089 0.000 1.139 40 T CB -0.480 68.453 68.868 0.109 0.000 0.871 40 T HN 0.363 nan 8.240 nan 0.000 0.454 41 Y N 2.205 122.533 120.300 0.048 0.000 2.114 41 Y HA -0.223 4.326 4.550 -0.000 0.000 0.282 41 Y C 2.584 178.539 175.900 0.091 0.000 1.165 41 Y CA 1.577 59.750 58.100 0.122 0.000 1.148 41 Y CB -0.498 38.127 38.460 0.275 0.000 0.972 41 Y HN 0.110 nan 8.280 nan 0.000 0.504 42 S N -1.153 114.556 115.700 0.016 0.000 2.425 42 S HA -0.083 4.387 4.470 -0.000 0.000 0.225 42 S C 2.078 176.636 174.600 -0.069 0.000 1.024 42 S CA 0.914 59.069 58.200 -0.075 0.000 0.951 42 S CB -0.326 62.896 63.200 0.036 0.000 0.796 42 S HN 0.303 nan 8.310 nan 0.000 0.498 43 V N 1.972 121.875 119.914 -0.017 0.000 2.358 43 V HA -0.016 4.104 4.120 -0.000 0.000 0.246 43 V C 1.445 177.552 176.094 0.022 0.000 1.047 43 V CA 1.338 63.646 62.300 0.014 0.000 1.035 43 V CB -0.496 31.357 31.823 0.049 0.000 0.658 43 V HN 0.445 nan 8.190 nan 0.000 0.452 44 L N 0.445 121.673 121.223 0.008 0.000 2.737 44 L HA 0.327 4.666 4.340 -0.000 0.000 0.236 44 L C 1.395 178.235 176.870 -0.050 0.000 1.219 44 L CA 0.087 54.935 54.840 0.015 0.000 1.021 44 L CB -0.315 41.772 42.059 0.047 0.000 1.291 44 L HN 0.242 nan 8.230 nan 0.000 0.470 45 A N 0.012 122.772 122.820 -0.101 0.000 2.579 45 A HA 0.471 4.791 4.320 -0.000 0.000 0.273 45 A C 1.567 179.117 177.584 -0.057 0.000 1.363 45 A CA 0.392 52.339 52.037 -0.150 0.000 0.953 45 A CB -0.495 18.354 19.000 -0.252 0.000 1.034 45 A HN 0.560 nan 8.150 nan 0.000 0.536 46 G N -1.050 107.743 108.800 -0.011 0.000 2.147 46 G HA2 -0.055 3.905 3.960 -0.000 0.000 0.244 46 G HA3 -0.055 3.905 3.960 -0.000 0.000 0.244 46 G C 0.751 175.674 174.900 0.039 0.000 1.005 46 G CA 0.218 45.330 45.100 0.019 0.000 0.713 46 G HN 1.529 nan 8.290 nan 0.000 0.515 47 G N -0.386 108.444 108.800 0.049 0.000 2.474 47 G HA2 0.361 4.321 3.960 -0.000 0.000 0.233 47 G HA3 0.361 4.321 3.960 -0.000 0.000 0.233 47 G C 0.898 175.846 174.900 0.080 0.000 1.278 47 G CA 0.269 45.418 45.100 0.080 0.000 0.861 47 G HN 0.391 nan 8.290 nan 0.000 0.567 48 K N 1.170 121.614 120.400 0.074 0.000 2.459 48 K HA -0.000 4.320 4.320 -0.000 0.000 0.193 48 K C 0.629 177.272 176.600 0.071 0.000 1.030 48 K CA -0.150 56.174 56.287 0.061 0.000 1.026 48 K CB 0.166 32.675 32.500 0.015 0.000 0.809 48 K HN 0.468 nan 8.250 nan 0.000 0.504 49 R N 0.139 120.681 120.500 0.069 0.000 3.651 49 R HA -0.177 4.162 4.340 -0.000 0.000 0.292 49 R C 1.081 177.416 176.300 0.058 0.000 1.161 49 R CA 0.369 56.511 56.100 0.071 0.000 0.787 49 R CB -2.673 27.693 30.300 0.110 0.000 1.249 49 R HN 0.272 nan 8.270 nan 0.000 0.476 50 L N 0.839 122.066 121.223 0.006 0.000 2.043 50 L HA -0.164 4.176 4.340 -0.000 0.000 0.212 50 L C 2.402 179.275 176.870 0.004 0.000 1.075 50 L CA 2.261 57.124 54.840 0.038 0.000 0.752 50 L CB -0.209 41.818 42.059 -0.053 0.000 0.891 50 L HN 0.278 nan 8.230 nan 0.000 0.432 51 R N -0.060 120.372 120.500 -0.113 0.000 2.062 51 R HA -0.062 4.278 4.340 -0.000 0.000 0.231 51 R C -0.354 175.887 176.300 -0.098 0.000 1.136 51 R CA 1.827 57.846 56.100 -0.136 0.000 0.948 51 R CB -1.809 28.386 30.300 -0.174 0.000 0.845 51 R HN 0.454 nan 8.270 nan 0.000 0.430 52 P HA -0.134 nan 4.420 nan 0.000 0.221 52 P C 1.184 178.441 177.300 -0.071 0.000 1.150 52 P CA 1.230 64.294 63.100 -0.061 0.000 0.800 52 P CB 0.013 31.694 31.700 -0.032 0.000 0.787 53 L N -0.892 120.355 121.223 0.039 0.000 2.042 53 L HA -0.159 4.181 4.340 -0.000 0.000 0.210 53 L C 2.850 179.722 176.870 0.003 0.000 1.076 53 L CA 1.252 56.206 54.840 0.191 0.000 0.749 53 L CB -0.996 41.348 42.059 0.475 0.000 0.893 53 L HN -0.083 nan 8.230 nan 0.000 0.432 54 L N -0.795 120.292 121.223 -0.227 0.000 2.046 54 L HA -0.226 4.114 4.340 -0.000 0.000 0.208 54 L C 2.626 179.198 176.870 -0.496 0.000 1.077 54 L CA 1.584 56.032 54.840 -0.654 0.000 0.747 54 L CB -0.560 41.139 42.059 -0.600 0.000 0.896 54 L HN 0.309 nan 8.230 nan 0.000 0.432 55 T N -0.985 113.364 114.554 -0.343 0.000 2.708 55 T HA -0.169 4.181 4.350 -0.000 0.000 0.266 55 T C 1.931 176.441 174.700 -0.317 0.000 1.037 55 T CA 1.445 63.351 62.100 -0.324 0.000 1.146 55 T CB -0.276 68.446 68.868 -0.244 0.000 0.865 55 T HN 0.082 nan 8.240 nan 0.000 0.435 56 V N 1.791 121.516 119.914 -0.314 0.000 2.343 56 V HA -0.171 3.949 4.120 -0.000 0.000 0.247 56 V C 2.913 178.839 176.094 -0.280 0.000 1.051 56 V CA 1.696 63.750 62.300 -0.411 0.000 1.036 56 V CB -1.252 30.062 31.823 -0.848 0.000 0.654 56 V HN 0.539 nan 8.190 nan 0.000 0.451 57 A N -0.226 122.444 122.820 -0.250 0.000 1.902 57 A HA -0.212 4.108 4.320 -0.000 0.000 0.217 57 A C 2.403 179.776 177.584 -0.351 0.000 1.181 57 A CA 2.451 54.261 52.037 -0.378 0.000 0.623 57 A CB -0.956 17.526 19.000 -0.862 0.000 0.818 57 A HN 0.508 nan 8.150 nan 0.000 0.443 58 T N 0.296 114.606 114.554 -0.406 0.000 2.674 58 T HA -0.189 4.161 4.350 -0.000 0.000 0.265 58 T C 1.972 176.466 174.700 -0.344 0.000 1.039 58 T CA 1.871 63.739 62.100 -0.387 0.000 1.150 58 T CB -0.369 68.226 68.868 -0.455 0.000 0.864 58 T HN 0.456 nan 8.240 nan 0.000 0.427 59 M N 1.013 120.427 119.600 -0.310 0.000 2.082 59 M HA -0.204 4.276 4.480 -0.000 0.000 0.258 59 M C 2.611 178.815 176.300 -0.160 0.000 1.069 59 M CA 1.794 56.945 55.300 -0.248 0.000 1.102 59 M CB -0.573 31.886 32.600 -0.235 0.000 1.336 59 M HN 0.270 nan 8.290 nan 0.000 0.404 60 Q N -0.293 119.439 119.800 -0.113 0.000 2.170 60 Q HA -0.140 4.200 4.340 -0.000 0.000 0.203 60 Q C 2.148 178.131 176.000 -0.029 0.000 0.976 60 Q CA 1.820 57.611 55.803 -0.021 0.000 0.858 60 Q CB -0.271 28.512 28.738 0.076 0.000 0.907 60 Q HN 0.650 nan 8.270 nan 0.000 0.433 61 S N -0.115 115.539 115.700 -0.076 0.000 2.515 61 S HA 0.001 4.471 4.470 -0.000 0.000 0.231 61 S C 1.565 176.153 174.600 -0.019 0.000 0.987 61 S CA 0.425 58.599 58.200 -0.044 0.000 0.936 61 S CB -0.037 63.139 63.200 -0.041 0.000 0.766 61 S HN 0.291 nan 8.310 nan 0.000 0.528 62 L N 0.661 121.836 121.223 -0.080 0.000 2.640 62 L HA 0.414 4.754 4.340 -0.000 0.000 0.230 62 L C 1.654 178.500 176.870 -0.041 0.000 1.123 62 L CA 0.267 55.060 54.840 -0.078 0.000 0.900 62 L CB -0.116 41.838 42.059 -0.174 0.000 1.146 62 L HN 0.521 nan 8.230 nan 0.000 0.484 63 G N 0.503 109.289 108.800 -0.024 0.000 2.136 63 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.242 63 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.242 63 G C 0.045 174.947 174.900 0.002 0.000 0.989 63 G CA 0.063 45.163 45.100 -0.000 0.000 0.682 63 G HN 0.115 nan 8.290 nan 0.000 0.522 64 V N 1.425 121.327 119.914 -0.020 0.000 2.398 64 V HA 0.539 4.658 4.120 -0.000 0.000 0.286 64 V C 0.837 176.938 176.094 0.012 0.000 1.026 64 V CA -0.166 62.125 62.300 -0.016 0.000 0.868 64 V CB 1.617 33.400 31.823 -0.067 0.000 0.982 64 V HN 0.300 nan 8.190 nan 0.000 0.443 65 T N 5.731 120.324 114.554 0.066 0.000 2.851 65 T HA 0.264 4.614 4.350 -0.000 0.000 0.298 65 T C -0.238 174.576 174.700 0.190 0.000 0.977 65 T CA 0.071 62.256 62.100 0.142 0.000 1.126 65 T CB 0.143 69.099 68.868 0.146 0.000 0.916 65 T HN 0.436 nan 8.240 nan 0.000 0.529 66 F N 4.570 124.578 119.950 0.097 0.000 2.543 66 F HA 0.338 4.865 4.527 -0.000 0.000 0.375 66 F C -0.251 175.749 175.800 0.333 0.000 1.075 66 F CA -0.266 57.839 58.000 0.175 0.000 1.225 66 F CB 0.361 39.446 39.000 0.142 0.000 1.099 66 F HN 0.207 nan 8.300 nan 0.000 0.561 67 V N 9.785 129.720 119.914 0.035 0.000 2.350 67 V HA 0.195 4.315 4.120 -0.000 0.000 0.285 67 V C -1.697 174.151 176.094 -0.409 0.000 1.014 67 V CA -1.358 60.873 62.300 -0.114 0.000 0.831 67 V CB 1.404 33.145 31.823 -0.137 0.000 1.000 67 V HN 0.650 nan 8.190 nan 0.000 0.433 68 P HA -0.144 nan 4.420 nan 0.000 0.215 68 P C 1.260 178.487 177.300 -0.122 0.000 1.157 68 P CA 1.180 64.216 63.100 -0.108 0.000 0.874 68 P CB 0.442 32.179 31.700 0.063 0.000 0.790 69 E N -1.124 118.990 120.200 -0.143 0.000 2.268 69 E HA -0.113 4.237 4.350 -0.000 0.000 0.195 69 E C 1.983 178.473 176.600 -0.183 0.000 0.995 69 E CA 0.925 57.245 56.400 -0.134 0.000 0.836 69 E CB -0.331 29.299 29.700 -0.117 0.000 0.763 69 E HN 0.260 nan 8.360 nan 0.000 0.491 70 R N -1.416 118.888 120.500 -0.326 0.000 2.146 70 R HA 0.163 4.503 4.340 -0.000 0.000 0.206 70 R C 1.214 177.229 176.300 -0.475 0.000 1.049 70 R CA 0.810 56.628 56.100 -0.469 0.000 1.029 70 R CB 0.133 29.978 30.300 -0.758 0.000 0.949 70 R HN 0.322 nan 8.270 nan 0.000 0.471 71 H N -2.483 116.416 119.070 -0.284 0.000 2.855 71 H HA 0.022 4.578 4.556 -0.000 0.000 0.259 71 H C 1.175 176.425 175.328 -0.129 0.000 0.972 71 H CA -0.264 55.606 56.048 -0.296 0.000 1.213 71 H CB 0.277 29.698 29.762 -0.569 0.000 1.451 71 H HN 0.165 nan 8.280 nan 0.000 0.484 72 W N 2.560 123.767 121.300 -0.156 0.000 2.333 72 W HA -0.138 4.522 4.660 -0.000 0.000 0.316 72 W C 2.086 178.637 176.519 0.053 0.000 1.215 72 W CA 1.571 58.998 57.345 0.136 0.000 1.278 72 W CB -0.005 29.522 29.460 0.110 0.000 1.154 72 W HN -0.082 nan 8.180 nan 0.000 0.486 73 R N -0.368 120.110 120.500 -0.037 0.000 2.083 73 R HA -0.174 4.166 4.340 -0.000 0.000 0.237 73 R C -0.338 175.926 176.300 -0.059 0.000 1.137 73 R CA 2.362 58.254 56.100 -0.347 0.000 0.951 73 R CB -1.817 28.243 30.300 -0.399 0.000 0.851 73 R HN 0.180 nan 8.270 nan 0.000 0.434 74 P HA -0.102 nan 4.420 nan 0.000 0.217 74 P C 1.274 178.609 177.300 0.057 0.000 1.150 74 P CA 1.033 64.177 63.100 0.073 0.000 0.832 74 P CB 0.113 31.863 31.700 0.083 0.000 0.787 75 V N -1.013 118.921 119.914 0.033 0.000 2.379 75 V HA -0.182 3.938 4.120 -0.000 0.000 0.245 75 V C 2.182 178.244 176.094 -0.054 0.000 1.044 75 V CA 1.566 63.880 62.300 0.022 0.000 1.036 75 V CB -0.963 30.942 31.823 0.135 0.000 0.664 75 V HN 0.103 nan 8.190 nan 0.000 0.453 76 M N -0.391 119.091 119.600 -0.198 0.000 2.562 76 M HA 0.111 4.591 4.480 -0.000 0.000 0.257 76 M C 2.285 178.594 176.300 0.015 0.000 1.099 76 M CA 1.095 56.277 55.300 -0.195 0.000 1.099 76 M CB -1.448 30.776 32.600 -0.627 0.000 1.427 76 M HN 0.377 nan 8.290 nan 0.000 0.489 77 A N 0.575 123.449 122.820 0.090 0.000 1.948 77 A HA -0.203 4.117 4.320 -0.000 0.000 0.220 77 A C 2.162 179.674 177.584 -0.121 0.000 1.177 77 A CA 1.536 53.554 52.037 -0.032 0.000 0.636 77 A CB -0.863 18.113 19.000 -0.040 0.000 0.815 77 A HN 0.434 nan 8.150 nan 0.000 0.449 78 L N -0.379 120.822 121.223 -0.038 0.000 2.093 78 L HA -0.090 4.250 4.340 -0.000 0.000 0.208 78 L C 2.163 179.032 176.870 -0.002 0.000 1.085 78 L CA 2.676 57.507 54.840 -0.014 0.000 0.755 78 L CB -0.618 41.510 42.059 0.114 0.000 0.904 78 L HN 0.484 nan 8.230 nan 0.000 0.435 79 E N -0.535 119.665 120.200 -0.001 0.000 2.107 79 E HA -0.151 4.199 4.350 -0.000 0.000 0.191 79 E C 2.153 178.763 176.600 0.018 0.000 0.982 79 E CA 1.281 57.706 56.400 0.042 0.000 0.809 79 E CB -0.323 29.403 29.700 0.043 0.000 0.756 79 E HN 0.543 nan 8.360 nan 0.000 0.459 80 L N 0.192 121.364 121.223 -0.084 0.000 2.013 80 L HA -0.203 4.137 4.340 -0.000 0.000 0.212 80 L C 2.653 179.475 176.870 -0.079 0.000 1.073 80 L CA 1.402 56.144 54.840 -0.163 0.000 0.753 80 L CB -0.642 41.178 42.059 -0.397 0.000 0.890 80 L HN 0.265 nan 8.230 nan 0.000 0.432 81 L N -0.778 120.408 121.223 -0.061 0.000 2.056 81 L HA -0.260 4.080 4.340 -0.000 0.000 0.207 81 L C 2.751 179.680 176.870 0.098 0.000 1.078 81 L CA 1.311 56.194 54.840 0.071 0.000 0.749 81 L CB -0.330 41.707 42.059 -0.036 0.000 0.901 81 L HN 0.303 nan 8.230 nan 0.000 0.433 82 H N -0.583 118.459 119.070 -0.047 0.000 2.352 82 H HA -0.186 4.370 4.556 -0.000 0.000 0.299 82 H C 1.992 177.268 175.328 -0.087 0.000 1.097 82 H CA 2.383 58.385 56.048 -0.076 0.000 1.311 82 H CB -0.383 29.344 29.762 -0.058 0.000 1.377 82 H HN 0.284 nan 8.280 nan 0.000 0.504 83 T N 0.260 114.704 114.554 -0.182 0.000 2.708 83 T HA -0.236 4.114 4.350 -0.000 0.000 0.266 83 T C 1.707 176.304 174.700 -0.172 0.000 1.037 83 T CA 1.585 63.561 62.100 -0.206 0.000 1.146 83 T CB -0.858 67.963 68.868 -0.079 0.000 0.865 83 T HN 0.627 nan 8.240 nan 0.000 0.435 84 Y N 3.247 123.426 120.300 -0.202 0.000 2.151 84 Y HA -0.228 4.322 4.550 -0.000 0.000 0.284 84 Y C 2.562 178.311 175.900 -0.252 0.000 1.166 84 Y CA 1.540 59.489 58.100 -0.251 0.000 1.163 84 Y CB -1.038 37.250 38.460 -0.286 0.000 0.974 84 Y HN 0.280 nan 8.280 nan 0.000 0.511 85 S N 0.639 115.756 115.700 -0.972 0.000 2.382 85 S HA -0.185 4.285 4.470 -0.000 0.000 0.228 85 S C 1.940 176.302 174.600 -0.396 0.000 1.027 85 S CA 1.505 59.187 58.200 -0.864 0.000 0.991 85 S CB -1.106 61.746 63.200 -0.580 0.000 0.823 85 S HN 0.589 nan 8.310 nan 0.000 0.469 86 L N 0.772 121.795 121.223 -0.333 0.000 2.027 86 L HA 0.004 4.344 4.340 -0.000 0.000 0.206 86 L C 2.688 179.524 176.870 -0.058 0.000 1.074 86 L CA 1.270 56.000 54.840 -0.183 0.000 0.745 86 L CB -0.766 41.163 42.059 -0.217 0.000 0.898 86 L HN 0.294 nan 8.230 nan 0.000 0.433 87 I N -0.510 120.040 120.570 -0.034 0.000 2.118 87 I HA -0.387 3.783 4.170 -0.000 0.000 0.241 87 I C 2.554 178.798 176.117 0.211 0.000 1.070 87 I CA 1.754 63.121 61.300 0.113 0.000 1.327 87 I CB -0.636 37.451 38.000 0.144 0.000 1.034 87 I HN 0.336 nan 8.210 nan 0.000 0.405 88 H N -0.057 119.001 119.070 -0.020 0.000 2.389 88 H HA -0.147 4.409 4.556 0.000 0.000 0.299 88 H C 1.802 177.109 175.328 -0.034 0.000 1.081 88 H CA 0.842 56.885 56.048 -0.009 0.000 1.345 88 H CB 0.078 29.843 29.762 0.006 0.000 1.393 88 H HN 0.316 nan 8.280 nan 0.000 0.520 89 D N 0.619 121.054 120.400 0.058 0.000 2.149 89 D HA -0.134 4.506 4.640 -0.000 0.000 0.198 89 D C 1.531 177.850 176.300 0.031 0.000 0.990 89 D CA 1.113 55.124 54.000 0.018 0.000 0.839 89 D CB -0.291 40.503 40.800 -0.010 0.000 0.948 89 D HN 0.374 nan 8.370 nan 0.000 0.460 90 D N -0.167 120.274 120.400 0.068 0.000 2.317 90 D HA 0.004 4.644 4.640 -0.000 0.000 0.211 90 D C 0.773 177.097 176.300 0.041 0.000 0.966 90 D CA 0.006 54.077 54.000 0.118 0.000 0.876 90 D CB 0.101 41.026 40.800 0.207 0.000 0.927 90 D HN 0.245 nan 8.370 nan 0.000 0.519 91 L N 1.262 122.446 121.223 -0.064 0.000 2.506 91 L HA -0.033 4.307 4.340 -0.000 0.000 0.281 91 L C -1.030 175.640 176.870 -0.333 0.000 1.228 91 L CA -1.010 53.648 54.840 -0.302 0.000 0.850 91 L CB 0.173 42.120 42.059 -0.187 0.000 1.110 91 L HN -0.170 nan 8.230 nan 0.000 0.496 92 P HA -0.215 nan 4.420 nan 0.000 0.217 92 P C 1.043 178.267 177.300 -0.127 0.000 1.148 92 P CA 1.575 64.537 63.100 -0.231 0.000 0.828 92 P CB 0.166 31.751 31.700 -0.191 0.000 0.783 93 A N -2.605 120.139 122.820 -0.126 0.000 2.119 93 A HA -0.053 4.267 4.320 -0.000 0.000 0.217 93 A C 1.761 179.307 177.584 -0.063 0.000 1.153 93 A CA 1.220 53.208 52.037 -0.081 0.000 0.692 93 A CB -0.700 18.250 19.000 -0.084 0.000 0.799 93 A HN 0.064 nan 8.150 nan 0.000 0.458 94 M N -1.529 118.028 119.600 -0.071 0.000 2.371 94 M HA 0.191 4.671 4.480 -0.000 0.000 0.183 94 M C 0.406 176.686 176.300 -0.033 0.000 1.550 94 M CA 0.277 55.550 55.300 -0.044 0.000 1.726 94 M CB -1.092 31.487 32.600 -0.034 0.000 0.963 94 M HN 0.080 nan 8.290 nan 0.000 0.795 95 D N 0.492 120.879 120.400 -0.022 0.000 2.348 95 D HA 0.021 4.660 4.640 -0.000 0.000 0.211 95 D C -0.023 176.280 176.300 0.006 0.000 0.998 95 D CA 0.378 54.375 54.000 -0.005 0.000 0.873 95 D CB -0.374 40.431 40.800 0.009 0.000 0.925 95 D HN 0.433 nan 8.370 nan 0.000 0.524 96 N N 2.101 120.794 118.700 -0.012 0.000 2.671 96 N HA -0.155 4.585 4.740 -0.000 0.000 0.261 96 N C -1.570 173.997 175.510 0.094 0.000 1.053 96 N CA 0.389 53.440 53.050 0.002 0.000 0.732 96 N CB -0.807 37.677 38.487 -0.006 0.000 0.887 96 N HN 0.034 nan 8.380 nan 0.000 0.546 97 D N -0.168 120.335 120.400 0.172 0.000 2.193 97 D HA 0.496 5.136 4.640 -0.000 0.000 0.244 97 D C 0.983 177.408 176.300 0.208 0.000 1.064 97 D CA 0.150 54.247 54.000 0.162 0.000 0.845 97 D CB 1.421 42.291 40.800 0.117 0.000 1.148 97 D HN 0.377 nan 8.370 nan 0.000 0.464 98 A N 2.773 125.654 122.820 0.102 0.000 2.095 98 A HA 0.202 4.522 4.320 -0.000 0.000 0.212 98 A C 0.636 178.221 177.584 0.003 0.000 1.162 98 A CA 0.499 52.554 52.037 0.029 0.000 0.753 98 A CB 0.222 19.241 19.000 0.031 0.000 0.840 98 A HN 0.512 nan 8.150 nan 0.000 0.468 99 L N -0.911 120.331 121.223 0.032 0.000 2.388 99 L HA 0.580 4.920 4.340 -0.000 0.000 0.264 99 L C -0.250 176.643 176.870 0.039 0.000 0.998 99 L CA -0.739 54.119 54.840 0.031 0.000 0.817 99 L CB 2.262 44.337 42.059 0.026 0.000 1.338 99 L HN 0.213 nan 8.230 nan 0.000 0.414 100 R N 2.001 122.524 120.500 0.037 0.000 2.514 100 R HA 0.424 4.764 4.340 -0.000 0.000 0.296 100 R C -0.390 175.923 176.300 0.022 0.000 1.012 100 R CA -0.655 55.464 56.100 0.031 0.000 0.897 100 R CB 1.223 31.542 30.300 0.032 0.000 1.184 100 R HN 0.619 nan 8.270 nan 0.000 0.440 101 R N 2.879 123.391 120.500 0.020 0.000 3.405 101 R HA -0.214 4.126 4.340 -0.000 0.000 0.258 101 R C 0.415 176.726 176.300 0.019 0.000 1.030 101 R CA 1.046 57.156 56.100 0.018 0.000 0.691 101 R CB -1.524 28.786 30.300 0.017 0.000 1.093 101 R HN 1.192 nan 8.270 nan 0.000 0.448 102 G N -0.684 108.129 108.800 0.021 0.000 2.166 102 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.260 102 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.260 102 G C -0.096 174.821 174.900 0.028 0.000 0.986 102 G CA 0.900 46.013 45.100 0.022 0.000 0.683 102 G HN 0.455 nan 8.290 nan 0.000 0.527 103 E N -0.103 120.118 120.200 0.035 0.000 2.312 103 E HA 0.436 4.786 4.350 -0.000 0.000 0.267 103 E C -2.655 173.994 176.600 0.081 0.000 0.894 103 E CA -2.049 54.386 56.400 0.058 0.000 0.773 103 E CB 2.012 31.745 29.700 0.055 0.000 1.241 103 E HN -0.009 nan 8.360 nan 0.000 0.432 104 P HA -0.025 nan 4.420 nan 0.000 0.265 104 P C -0.097 177.297 177.300 0.157 0.000 1.193 104 P CA 0.228 63.377 63.100 0.082 0.000 0.765 104 P CB 0.183 31.906 31.700 0.038 0.000 0.823 105 T N -0.478 114.100 114.554 0.040 0.000 2.813 105 T HA 0.029 4.379 4.350 -0.000 0.000 0.297 105 T C 1.374 176.142 174.700 0.114 0.000 1.036 105 T CA -0.502 61.639 62.100 0.069 0.000 1.044 105 T CB 0.366 69.224 68.868 -0.017 0.000 0.993 105 T HN 0.344 nan 8.240 nan 0.000 0.535 106 N N 1.196 120.051 118.700 0.260 0.000 2.061 106 N HA -0.258 4.482 4.740 -0.000 0.000 0.193 106 N C 1.840 177.508 175.510 0.262 0.000 1.030 106 N CA 2.329 55.600 53.050 0.368 0.000 0.856 106 N CB -0.514 38.173 38.487 0.334 0.000 1.023 106 N HN 0.967 nan 8.380 nan 0.000 0.424 107 H N -0.945 118.237 119.070 0.187 0.000 2.423 107 H HA 0.055 4.611 4.556 -0.000 0.000 0.297 107 H C 2.139 177.516 175.328 0.082 0.000 1.075 107 H CA 1.141 57.268 56.048 0.131 0.000 1.342 107 H CB -0.464 29.350 29.762 0.086 0.000 1.395 107 H HN -0.047 nan 8.280 nan 0.000 0.530 108 V N 0.812 120.458 119.914 -0.447 0.000 2.343 108 V HA -0.236 3.884 4.120 -0.000 0.000 0.247 108 V C 2.607 178.592 176.094 -0.181 0.000 1.051 108 V CA 2.281 64.423 62.300 -0.263 0.000 1.036 108 V CB -0.531 31.124 31.823 -0.280 0.000 0.654 108 V HN 0.450 nan 8.190 nan 0.000 0.451 109 K N -1.025 119.235 120.400 -0.234 0.000 2.116 109 K HA -0.041 4.279 4.320 -0.000 0.000 0.203 109 K C 1.683 177.924 176.600 -0.598 0.000 1.052 109 K CA 1.547 57.533 56.287 -0.501 0.000 0.952 109 K CB -0.010 31.983 32.500 -0.846 0.000 0.729 109 K HN 0.448 nan 8.250 nan 0.000 0.446 110 F N -0.335 119.552 119.950 -0.105 0.000 2.724 110 F HA 0.334 4.861 4.527 0.000 0.000 0.306 110 F C 0.536 176.334 175.800 -0.002 0.000 1.100 110 F CA 0.241 58.209 58.000 -0.053 0.000 1.255 110 F CB 1.506 40.485 39.000 -0.035 0.000 1.072 110 F HN 0.137 nan 8.300 nan 0.000 0.589 111 G N 0.519 109.414 108.800 0.159 0.000 2.675 111 G HA2 0.103 4.063 3.960 -0.000 0.000 0.686 111 G HA3 0.103 4.063 3.960 -0.000 0.000 0.686 111 G C 0.605 175.614 174.900 0.181 0.000 1.215 111 G CA -0.596 44.588 45.100 0.139 0.000 0.777 111 G HN 0.382 nan 8.290 nan 0.000 0.638 112 A N 0.449 123.357 122.820 0.147 0.000 1.972 112 A HA 0.256 4.576 4.320 -0.000 0.000 0.219 112 A C 2.811 180.433 177.584 0.063 0.000 1.169 112 A CA 2.769 54.865 52.037 0.099 0.000 0.635 112 A CB -0.833 18.176 19.000 0.015 0.000 0.810 112 A HN 2.383 nan 8.150 nan 0.000 0.446 113 G N -0.698 108.137 108.800 0.059 0.000 2.433 113 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.216 113 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.216 113 G C 1.515 176.450 174.900 0.059 0.000 1.186 113 G CA 1.502 46.629 45.100 0.044 0.000 0.779 113 G HN 0.421 nan 8.290 nan 0.000 0.543 114 M N 1.532 121.182 119.600 0.084 0.000 2.159 114 M HA 0.181 4.661 4.480 -0.000 0.000 0.263 114 M C 2.645 178.987 176.300 0.069 0.000 1.063 114 M CA 1.415 56.760 55.300 0.075 0.000 1.110 114 M CB -0.496 32.172 32.600 0.114 0.000 1.374 114 M HN 0.250 nan 8.290 nan 0.000 0.411 115 A N -1.264 121.632 122.820 0.126 0.000 1.902 115 A HA -0.162 4.158 4.320 -0.000 0.000 0.217 115 A C 2.190 179.873 177.584 0.164 0.000 1.181 115 A CA 2.328 54.458 52.037 0.154 0.000 0.623 115 A CB -1.392 17.747 19.000 0.232 0.000 0.818 115 A HN 0.546 nan 8.150 nan 0.000 0.443 116 T N 0.747 115.363 114.554 0.103 0.000 2.652 116 T HA -0.133 4.217 4.350 -0.000 0.000 0.267 116 T C 1.834 176.659 174.700 0.209 0.000 1.039 116 T CA 1.565 63.711 62.100 0.078 0.000 1.153 116 T CB -0.476 68.360 68.868 -0.053 0.000 0.863 116 T HN 0.374 nan 8.240 nan 0.000 0.428 117 L N 0.854 122.139 121.223 0.102 0.000 2.042 117 L HA -0.156 4.184 4.340 -0.000 0.000 0.210 117 L C 3.122 180.021 176.870 0.049 0.000 1.076 117 L CA 1.351 56.231 54.840 0.067 0.000 0.749 117 L CB -0.866 41.210 42.059 0.028 0.000 0.893 117 L HN 0.265 nan 8.230 nan 0.000 0.432 118 A N 0.512 123.353 122.820 0.035 0.000 1.917 118 A HA -0.192 4.128 4.320 -0.000 0.000 0.219 118 A C 2.409 179.999 177.584 0.010 0.000 1.182 118 A CA 2.037 54.068 52.037 -0.010 0.000 0.633 118 A CB -1.318 17.652 19.000 -0.050 0.000 0.819 118 A HN 0.473 nan 8.150 nan 0.000 0.448 119 G N -0.374 108.487 108.800 0.102 0.000 2.404 119 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.215 119 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.215 119 G C 1.132 175.926 174.900 -0.176 0.000 1.174 119 G CA 1.192 46.281 45.100 -0.018 0.000 0.780 119 G HN 0.470 nan 8.290 nan 0.000 0.537 120 D N 0.790 121.170 120.400 -0.033 0.000 2.117 120 D HA -0.071 4.569 4.640 -0.000 0.000 0.197 120 D C 2.645 178.851 176.300 -0.157 0.000 0.987 120 D CA 1.327 55.257 54.000 -0.117 0.000 0.829 120 D CB -0.860 39.941 40.800 0.002 0.000 0.961 120 D HN 0.307 nan 8.370 nan 0.000 0.460 121 G N 0.692 109.432 108.800 -0.100 0.000 2.418 121 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.217 121 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.217 121 G C 1.795 176.596 174.900 -0.164 0.000 1.158 121 G CA 0.354 45.390 45.100 -0.107 0.000 0.771 121 G HN 0.248 nan 8.290 nan 0.000 0.545 122 L N -0.383 120.733 121.223 -0.180 0.000 2.056 122 L HA 0.007 4.347 4.340 -0.000 0.000 0.207 122 L C 2.673 179.376 176.870 -0.280 0.000 1.078 122 L CA 0.499 55.205 54.840 -0.223 0.000 0.749 122 L CB -0.366 41.612 42.059 -0.135 0.000 0.901 122 L HN 0.252 nan 8.230 nan 0.000 0.433 123 L N -0.553 120.445 121.223 -0.375 0.000 2.017 123 L HA -0.192 4.148 4.340 -0.000 0.000 0.208 123 L C 2.395 179.165 176.870 -0.167 0.000 1.073 123 L CA 2.196 56.767 54.840 -0.448 0.000 0.745 123 L CB -0.874 40.601 42.059 -0.973 0.000 0.894 123 L HN 0.163 nan 8.230 nan 0.000 0.432 124 T N -0.221 114.245 114.554 -0.146 0.000 2.777 124 T HA -0.154 4.196 4.350 -0.000 0.000 0.266 124 T C 1.817 176.493 174.700 -0.040 0.000 1.040 124 T CA 1.496 63.581 62.100 -0.024 0.000 1.141 124 T CB -0.434 68.400 68.868 -0.057 0.000 0.868 124 T HN 0.275 nan 8.240 nan 0.000 0.444 125 L N 1.439 122.552 121.223 -0.184 0.000 2.131 125 L HA 0.125 4.465 4.340 -0.000 0.000 0.210 125 L C 2.581 179.177 176.870 -0.456 0.000 1.092 125 L CA 1.337 55.987 54.840 -0.317 0.000 0.759 125 L CB -0.971 40.801 42.059 -0.478 0.000 0.903 125 L HN 0.235 nan 8.230 nan 0.000 0.435 126 A N -0.788 121.774 122.820 -0.430 0.000 1.908 126 A HA -0.240 4.080 4.320 -0.000 0.000 0.218 126 A C 2.065 179.425 177.584 -0.373 0.000 1.181 126 A CA 2.141 53.901 52.037 -0.462 0.000 0.627 126 A CB -1.063 17.621 19.000 -0.525 0.000 0.818 126 A HN 0.454 nan 8.150 nan 0.000 0.445 127 F N -0.364 119.531 119.950 -0.093 0.000 2.259 127 F HA -0.101 4.426 4.527 -0.000 0.000 0.298 127 F C 2.564 178.385 175.800 0.036 0.000 1.088 127 F CA 1.461 59.447 58.000 -0.025 0.000 1.358 127 F CB -0.467 38.506 39.000 -0.047 0.000 1.040 127 F HN 0.337 nan 8.300 nan 0.000 0.505 128 Q N -0.402 119.504 119.800 0.176 0.000 2.061 128 Q HA -0.232 4.108 4.340 -0.000 0.000 0.204 128 Q C 2.008 178.206 176.000 0.330 0.000 0.984 128 Q CA 2.049 57.979 55.803 0.211 0.000 0.846 128 Q CB -0.312 28.540 28.738 0.190 0.000 0.902 128 Q HN 0.425 nan 8.270 nan 0.000 0.421 129 W N 0.697 121.999 121.300 0.003 0.000 2.363 129 W HA -0.082 4.578 4.660 0.000 0.000 0.296 129 W C 1.935 178.447 176.519 -0.012 0.000 1.212 129 W CA 0.531 57.870 57.345 -0.011 0.000 1.260 129 W CB -0.704 28.718 29.460 -0.064 0.000 1.131 129 W HN 0.223 nan 8.180 nan 0.000 0.530 130 L N -0.079 121.266 121.223 0.203 0.000 2.131 130 L HA -0.166 4.174 4.340 -0.000 0.000 0.210 130 L C 1.955 178.901 176.870 0.127 0.000 1.092 130 L CA 1.968 56.886 54.840 0.130 0.000 0.759 130 L CB -0.979 41.136 42.059 0.093 0.000 0.903 130 L HN 0.048 nan 8.230 nan 0.000 0.435 131 T N -5.031 109.608 114.554 0.141 0.000 3.174 131 T HA 0.376 4.726 4.350 -0.000 0.000 0.269 131 T C 1.091 175.845 174.700 0.089 0.000 1.017 131 T CA 0.297 62.463 62.100 0.110 0.000 0.899 131 T CB 0.721 69.658 68.868 0.115 0.000 1.077 131 T HN 0.168 nan 8.240 nan 0.000 0.552 132 A N 1.562 124.436 122.820 0.090 0.000 2.238 132 A HA 0.429 4.749 4.320 -0.000 0.000 0.210 132 A C 1.436 179.027 177.584 0.011 0.000 1.179 132 A CA 0.537 52.611 52.037 0.061 0.000 0.827 132 A CB -0.236 18.804 19.000 0.067 0.000 0.856 132 A HN 0.665 nan 8.150 nan 0.000 0.488 133 T N -3.725 110.828 114.554 -0.002 0.000 2.883 133 T HA 0.471 4.821 4.350 -0.000 0.000 0.284 133 T C -0.615 174.065 174.700 -0.035 0.000 1.041 133 T CA -0.215 61.862 62.100 -0.038 0.000 1.007 133 T CB 1.438 70.261 68.868 -0.074 0.000 1.220 133 T HN -0.056 nan 8.240 nan 0.000 0.552 134 D N 0.420 120.785 120.400 -0.059 0.000 3.057 134 D HA 0.317 4.957 4.640 -0.000 0.000 0.246 134 D C -0.247 176.025 176.300 -0.048 0.000 1.238 134 D CA -0.323 53.650 54.000 -0.045 0.000 0.949 134 D CB -0.948 39.822 40.800 -0.049 0.000 1.086 134 D HN 0.416 nan 8.370 nan 0.000 0.487 135 L N 1.044 122.249 121.223 -0.030 0.000 2.399 135 L HA 0.484 4.824 4.340 -0.000 0.000 0.265 135 L C -1.729 175.146 176.870 0.008 0.000 1.089 135 L CA -2.203 52.630 54.840 -0.012 0.000 0.802 135 L CB 0.748 42.814 42.059 0.012 0.000 1.180 135 L HN 0.085 nan 8.230 nan 0.000 0.454 136 P HA -0.010 nan 4.420 nan 0.000 0.266 136 P C 0.057 177.375 177.300 0.030 0.000 1.195 136 P CA 0.002 63.114 63.100 0.021 0.000 0.768 136 P CB 0.782 32.497 31.700 0.025 0.000 0.838 137 A N 3.194 126.030 122.820 0.027 0.000 1.940 137 A HA -0.198 4.122 4.320 -0.000 0.000 0.219 137 A C 2.014 179.622 177.584 0.040 0.000 1.176 137 A CA 2.414 54.471 52.037 0.034 0.000 0.631 137 A CB -1.898 17.118 19.000 0.027 0.000 0.814 137 A HN 0.638 nan 8.150 nan 0.000 0.446 138 T N -2.217 112.358 114.554 0.035 0.000 2.720 138 T HA -0.242 4.108 4.350 -0.000 0.000 0.268 138 T C 1.908 176.640 174.700 0.054 0.000 1.037 138 T CA 1.785 63.908 62.100 0.039 0.000 1.144 138 T CB -0.448 68.439 68.868 0.030 0.000 0.864 138 T HN 0.437 nan 8.240 nan 0.000 0.444 139 M N 0.870 120.503 119.600 0.056 0.000 2.099 139 M HA -0.119 4.361 4.480 -0.000 0.000 0.262 139 M C 2.614 178.964 176.300 0.083 0.000 1.067 139 M CA 1.588 56.931 55.300 0.071 0.000 1.124 139 M CB -0.294 32.344 32.600 0.064 0.000 1.353 139 M HN 0.280 nan 8.290 nan 0.000 0.410 140 Q N 0.069 119.915 119.800 0.076 0.000 2.061 140 Q HA -0.185 4.155 4.340 -0.000 0.000 0.204 140 Q C 2.126 178.188 176.000 0.104 0.000 0.984 140 Q CA 1.980 57.836 55.803 0.089 0.000 0.846 140 Q CB -0.416 28.367 28.738 0.075 0.000 0.902 140 Q HN 0.711 nan 8.270 nan 0.000 0.421 141 A N 0.995 123.867 122.820 0.087 0.000 1.930 141 A HA -0.083 4.237 4.320 -0.000 0.000 0.217 141 A C 2.309 179.957 177.584 0.107 0.000 1.175 141 A CA 1.475 53.565 52.037 0.088 0.000 0.627 141 A CB -0.783 18.254 19.000 0.062 0.000 0.815 141 A HN 0.401 nan 8.150 nan 0.000 0.443 142 A N -0.201 122.683 122.820 0.107 0.000 1.902 142 A HA -0.062 4.258 4.320 -0.000 0.000 0.217 142 A C 2.172 179.863 177.584 0.179 0.000 1.181 142 A CA 1.533 53.648 52.037 0.130 0.000 0.623 142 A CB -0.588 18.486 19.000 0.125 0.000 0.818 142 A HN 0.474 nan 8.150 nan 0.000 0.443 143 L N -0.714 120.617 121.223 0.181 0.000 2.017 143 L HA -0.157 4.183 4.340 -0.000 0.000 0.208 143 L C 2.558 179.586 176.870 0.263 0.000 1.073 143 L CA 1.110 56.098 54.840 0.247 0.000 0.745 143 L CB -0.546 41.634 42.059 0.202 0.000 0.894 143 L HN 0.249 nan 8.230 nan 0.000 0.432 144 V N -0.406 119.642 119.914 0.224 0.000 2.295 144 V HA -0.324 3.796 4.120 -0.000 0.000 0.246 144 V C 2.461 178.707 176.094 0.253 0.000 1.049 144 V CA 2.006 64.481 62.300 0.292 0.000 1.024 144 V CB -0.503 31.476 31.823 0.259 0.000 0.648 144 V HN 0.466 nan 8.190 nan 0.000 0.447 145 Q N 0.580 120.485 119.800 0.176 0.000 2.084 145 Q HA -0.149 4.191 4.340 -0.000 0.000 0.202 145 Q C 2.078 178.177 176.000 0.164 0.000 0.978 145 Q CA 2.303 58.188 55.803 0.137 0.000 0.844 145 Q CB -0.564 28.238 28.738 0.106 0.000 0.898 145 Q HN 0.593 nan 8.270 nan 0.000 0.426 146 A N -0.050 122.905 122.820 0.226 0.000 1.873 146 A HA -0.101 4.218 4.320 -0.000 0.000 0.215 146 A C 1.993 179.703 177.584 0.209 0.000 1.186 146 A CA 1.412 53.628 52.037 0.298 0.000 0.616 146 A CB -0.821 18.442 19.000 0.438 0.000 0.823 146 A HN 0.464 nan 8.150 nan 0.000 0.442 147 L N -0.238 120.999 121.223 0.023 0.000 2.027 147 L HA 0.015 4.355 4.340 -0.000 0.000 0.206 147 L C 2.699 179.549 176.870 -0.034 0.000 1.074 147 L CA 2.087 56.646 54.840 -0.467 0.000 0.745 147 L CB -0.902 40.751 42.059 -0.678 0.000 0.898 147 L HN 0.343 nan 8.230 nan 0.000 0.433 148 A N -1.016 121.947 122.820 0.238 0.000 1.908 148 A HA -0.264 4.056 4.320 -0.000 0.000 0.218 148 A C 2.351 179.991 177.584 0.094 0.000 1.181 148 A CA 2.664 54.828 52.037 0.212 0.000 0.627 148 A CB -1.417 17.620 19.000 0.062 0.000 0.818 148 A HN 0.629 nan 8.150 nan 0.000 0.445 149 T N -2.131 112.472 114.554 0.082 0.000 2.821 149 T HA 0.087 4.437 4.350 -0.000 0.000 0.267 149 T C 1.936 176.670 174.700 0.056 0.000 1.046 149 T CA 1.624 63.762 62.100 0.064 0.000 1.139 149 T CB -0.578 68.334 68.868 0.074 0.000 0.871 149 T HN 0.579 nan 8.240 nan 0.000 0.454 150 A N 1.571 124.425 122.820 0.058 0.000 1.930 150 A HA 0.502 4.822 4.320 -0.000 0.000 0.217 150 A C 2.619 180.223 177.584 0.035 0.000 1.175 150 A CA 1.484 53.551 52.037 0.051 0.000 0.627 150 A CB -1.021 18.023 19.000 0.072 0.000 0.815 150 A HN 0.751 nan 8.150 nan 0.000 0.443 151 A N -0.981 121.859 122.820 0.033 0.000 2.147 151 A HA 0.497 4.817 4.320 -0.000 0.000 0.211 151 A C 1.540 179.182 177.584 0.097 0.000 1.160 151 A CA 0.978 53.056 52.037 0.069 0.000 0.781 151 A CB -0.536 18.518 19.000 0.090 0.000 0.842 151 A HN 0.628 nan 8.150 nan 0.000 0.475 152 G N -0.326 108.520 108.800 0.077 0.000 2.714 152 G HA2 0.405 4.365 3.960 -0.000 0.000 0.197 152 G HA3 0.405 4.365 3.960 -0.000 0.000 0.197 152 G C -1.607 173.324 174.900 0.052 0.000 1.449 152 G CA -0.132 45.007 45.100 0.066 0.000 1.065 152 G HN 0.063 nan 8.290 nan 0.000 0.575 153 P HA 0.115 nan 4.420 nan 0.000 0.245 153 P C 0.910 178.225 177.300 0.025 0.000 1.212 153 P CA 0.721 63.839 63.100 0.031 0.000 0.774 153 P CB 0.678 32.391 31.700 0.021 0.000 0.999 154 S N -1.430 114.285 115.700 0.025 0.000 2.523 154 S HA 0.333 4.803 4.470 -0.000 0.000 0.217 154 S C 1.257 175.871 174.600 0.024 0.000 0.996 154 S CA 0.225 58.438 58.200 0.021 0.000 0.921 154 S CB 0.468 63.678 63.200 0.017 0.000 0.829 154 S HN 0.289 nan 8.310 nan 0.000 0.495 155 G N 0.771 109.590 108.800 0.032 0.000 3.387 155 G HA2 0.336 4.296 3.960 -0.000 0.000 0.194 155 G HA3 0.336 4.296 3.960 -0.000 0.000 0.194 155 G C 0.792 175.719 174.900 0.045 0.000 1.417 155 G CA -0.176 44.946 45.100 0.036 0.000 0.777 155 G HN 0.189 nan 8.290 nan 0.000 0.721 156 M N 0.121 119.751 119.600 0.050 0.000 2.089 156 M HA -0.152 4.328 4.480 -0.000 0.000 0.257 156 M C 2.437 178.766 176.300 0.049 0.000 1.071 156 M CA 1.818 57.147 55.300 0.050 0.000 1.096 156 M CB -0.278 32.349 32.600 0.044 0.000 1.330 156 M HN 0.142 nan 8.290 nan 0.000 0.403 157 V N 0.416 120.368 119.914 0.064 0.000 2.427 157 V HA -0.210 3.910 4.120 -0.000 0.000 0.248 157 V C 2.622 178.745 176.094 0.049 0.000 1.051 157 V CA 1.694 64.035 62.300 0.068 0.000 1.048 157 V CB -1.438 30.441 31.823 0.094 0.000 0.666 157 V HN 0.645 nan 8.190 nan 0.000 0.456 158 A N 0.770 123.615 122.820 0.042 0.000 1.908 158 A HA -0.114 4.206 4.320 -0.000 0.000 0.218 158 A C 2.427 180.029 177.584 0.031 0.000 1.181 158 A CA 2.017 54.073 52.037 0.032 0.000 0.627 158 A CB -1.210 17.807 19.000 0.027 0.000 0.818 158 A HN 0.517 nan 8.150 nan 0.000 0.445 159 G N -0.913 107.910 108.800 0.038 0.000 2.421 159 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.216 159 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.216 159 G C 1.605 176.528 174.900 0.038 0.000 1.171 159 G CA 1.018 46.145 45.100 0.044 0.000 0.775 159 G HN 0.635 nan 8.290 nan 0.000 0.543 160 Q N 0.212 120.033 119.800 0.035 0.000 2.124 160 Q HA 0.001 4.341 4.340 -0.000 0.000 0.202 160 Q C 3.003 179.014 176.000 0.020 0.000 0.977 160 Q CA 1.226 57.045 55.803 0.026 0.000 0.850 160 Q CB -0.274 28.478 28.738 0.024 0.000 0.901 160 Q HN 0.481 nan 8.270 nan 0.000 0.429 161 A N 1.546 124.379 122.820 0.023 0.000 1.877 161 A HA -0.227 4.093 4.320 -0.000 0.000 0.216 161 A C 1.918 179.506 177.584 0.007 0.000 1.186 161 A CA 1.550 53.596 52.037 0.016 0.000 0.620 161 A CB -0.321 18.690 19.000 0.019 0.000 0.822 161 A HN 0.181 nan 8.150 nan 0.000 0.443 162 K N -0.761 119.644 120.400 0.007 0.000 2.097 162 K HA -0.177 4.143 4.320 -0.000 0.000 0.206 162 K C 1.778 178.373 176.600 -0.010 0.000 1.049 162 K CA 1.417 57.702 56.287 -0.002 0.000 0.933 162 K CB -0.224 32.274 32.500 -0.003 0.000 0.717 162 K HN 0.514 nan 8.250 nan 0.000 0.442 163 D N 1.182 121.581 120.400 -0.002 0.000 2.097 163 D HA -0.129 4.511 4.640 -0.000 0.000 0.195 163 D C 1.738 178.022 176.300 -0.026 0.000 0.989 163 D CA 1.058 55.053 54.000 -0.008 0.000 0.827 163 D CB -0.007 40.798 40.800 0.009 0.000 0.966 163 D HN 0.079 nan 8.370 nan 0.000 0.456 164 I N 0.151 120.710 120.570 -0.019 0.000 2.163 164 I HA -0.293 3.877 4.170 -0.000 0.000 0.243 164 I C 2.222 178.320 176.117 -0.032 0.000 1.085 164 I CA 1.263 62.547 61.300 -0.027 0.000 1.347 164 I CB -0.398 37.595 38.000 -0.012 0.000 1.044 164 I HN 0.139 nan 8.210 nan 0.000 0.408 165 Q N -0.138 119.651 119.800 -0.019 0.000 2.500 165 Q HA -0.061 4.279 4.340 -0.000 0.000 0.213 165 Q C 1.685 177.672 176.000 -0.022 0.000 0.974 165 Q CA 0.815 56.610 55.803 -0.013 0.000 0.918 165 Q CB 0.099 28.834 28.738 -0.006 0.000 0.980 165 Q HN 0.355 nan 8.270 nan 0.000 0.505 166 S N -0.023 115.651 115.700 -0.043 0.000 2.539 166 S HA 0.049 4.519 4.470 -0.000 0.000 0.221 166 S C 1.022 175.566 174.600 -0.093 0.000 0.987 166 S CA -0.286 57.883 58.200 -0.052 0.000 0.929 166 S CB 0.351 63.522 63.200 -0.049 0.000 0.832 166 S HN 0.267 nan 8.310 nan 0.000 0.492 167 E N 1.700 121.803 120.200 -0.161 0.000 2.114 167 E HA -0.170 4.180 4.350 -0.000 0.000 0.199 167 E C 0.428 176.731 176.600 -0.496 0.000 1.008 167 E CA 1.209 57.395 56.400 -0.357 0.000 0.810 167 E CB -0.125 29.278 29.700 -0.495 0.000 0.739 167 E HN 0.605 nan 8.360 nan 0.000 0.456 168 H N -1.312 117.753 119.070 -0.008 0.000 2.510 168 H HA 0.289 4.845 4.556 0.000 0.000 0.266 168 H C -0.412 174.908 175.328 -0.012 0.000 1.146 168 H CA -0.085 55.958 56.048 -0.009 0.000 0.993 168 H CB 0.544 30.301 29.762 -0.008 0.000 1.727 168 H HN -0.157 nan 8.280 nan 0.000 0.590 169 V N 1.721 121.657 119.914 0.036 0.000 2.495 169 V HA 0.136 4.256 4.120 -0.000 0.000 0.298 169 V C 0.273 176.362 176.094 -0.008 0.000 1.031 169 V CA -1.028 61.281 62.300 0.016 0.000 0.871 169 V CB 2.379 34.202 31.823 0.000 0.000 0.988 169 V HN 0.236 nan 8.190 nan 0.000 0.432 170 N N 4.505 123.200 118.700 -0.009 0.000 2.469 170 N HA 0.366 5.106 4.740 -0.000 0.000 0.239 170 N C -0.631 174.857 175.510 -0.038 0.000 1.053 170 N CA -0.146 52.890 53.050 -0.024 0.000 0.937 170 N CB 0.245 38.721 38.487 -0.018 0.000 1.163 170 N HN 0.623 nan 8.380 nan 0.000 0.509 171 L N 4.223 125.413 121.223 -0.055 0.000 2.417 171 L HA 0.388 4.728 4.340 -0.000 0.000 0.268 171 L C -1.593 175.229 176.870 -0.079 0.000 1.158 171 L CA -1.690 53.109 54.840 -0.068 0.000 0.819 171 L CB 0.463 42.468 42.059 -0.091 0.000 1.112 171 L HN 0.386 nan 8.230 nan 0.000 0.458 172 P HA -0.036 nan 4.420 nan 0.000 0.269 172 P C 0.548 177.780 177.300 -0.113 0.000 1.209 172 P CA -0.433 62.619 63.100 -0.079 0.000 0.776 172 P CB 0.895 32.559 31.700 -0.059 0.000 0.876 173 L N 3.343 124.487 121.223 -0.133 0.000 2.081 173 L HA -0.253 4.087 4.340 -0.000 0.000 0.212 173 L C 2.356 179.141 176.870 -0.142 0.000 1.080 173 L CA 2.652 57.380 54.840 -0.186 0.000 0.754 173 L CB -1.460 40.481 42.059 -0.197 0.000 0.893 173 L HN 0.479 nan 8.230 nan 0.000 0.433 174 S N -1.591 114.056 115.700 -0.088 0.000 2.370 174 S HA -0.276 4.194 4.470 -0.000 0.000 0.226 174 S C 1.888 176.452 174.600 -0.061 0.000 1.033 174 S CA 1.417 59.583 58.200 -0.056 0.000 1.011 174 S CB -0.678 62.500 63.200 -0.037 0.000 0.852 174 S HN 0.690 nan 8.310 nan 0.000 0.457 175 Q N 0.139 119.894 119.800 -0.076 0.000 2.137 175 Q HA 0.146 4.486 4.340 -0.000 0.000 0.198 175 Q C 2.216 178.143 176.000 -0.121 0.000 0.960 175 Q CA 0.953 56.710 55.803 -0.077 0.000 0.847 175 Q CB -0.310 28.388 28.738 -0.067 0.000 0.915 175 Q HN 0.490 nan 8.270 nan 0.000 0.448 176 L N 1.049 122.161 121.223 -0.184 0.000 2.083 176 L HA -0.170 4.170 4.340 -0.000 0.000 0.209 176 L C 2.130 178.781 176.870 -0.366 0.000 1.083 176 L CA 1.634 56.275 54.840 -0.332 0.000 0.752 176 L CB -0.199 41.621 42.059 -0.398 0.000 0.899 176 L HN 0.027 nan 8.230 nan 0.000 0.433 177 R N -1.288 119.112 120.500 -0.166 0.000 2.083 177 R HA -0.153 4.187 4.340 -0.000 0.000 0.237 177 R C 2.134 178.449 176.300 0.026 0.000 1.137 177 R CA 1.744 57.844 56.100 0.001 0.000 0.951 177 R CB -0.718 29.608 30.300 0.044 0.000 0.851 177 R HN 0.301 nan 8.270 nan 0.000 0.434 178 V N 1.705 121.612 119.914 -0.011 0.000 2.343 178 V HA -0.249 3.871 4.120 -0.000 0.000 0.247 178 V C 2.327 178.432 176.094 0.017 0.000 1.051 178 V CA 1.711 64.016 62.300 0.009 0.000 1.036 178 V CB -0.478 31.342 31.823 -0.005 0.000 0.654 178 V HN 0.338 nan 8.190 nan 0.000 0.451 179 L N -0.755 120.453 121.223 -0.026 0.000 2.012 179 L HA -0.256 4.084 4.340 -0.000 0.000 0.210 179 L C 2.521 179.452 176.870 0.103 0.000 1.073 179 L CA 2.000 56.839 54.840 -0.002 0.000 0.748 179 L CB -0.446 41.574 42.059 -0.067 0.000 0.891 179 L HN 0.437 nan 8.230 nan 0.000 0.431 180 H N -0.881 118.225 119.070 0.060 0.000 2.357 180 H HA -0.201 4.355 4.556 -0.000 0.000 0.301 180 H C 2.194 177.566 175.328 0.074 0.000 1.082 180 H CA 1.316 57.413 56.048 0.082 0.000 1.342 180 H CB 0.165 29.999 29.762 0.120 0.000 1.389 180 H HN 0.268 nan 8.280 nan 0.000 0.511 181 K N 0.950 121.469 120.400 0.199 0.000 2.103 181 K HA -0.182 4.137 4.320 -0.000 0.000 0.207 181 K C 1.750 178.403 176.600 0.089 0.000 1.048 181 K CA 1.600 57.961 56.287 0.122 0.000 0.930 181 K CB 0.179 32.731 32.500 0.087 0.000 0.716 181 K HN 0.399 nan 8.250 nan 0.000 0.444 182 E N 0.038 120.288 120.200 0.083 0.000 2.033 182 E HA -0.159 4.191 4.350 -0.000 0.000 0.189 182 E C 2.013 178.658 176.600 0.075 0.000 0.979 182 E CA 0.996 57.434 56.400 0.063 0.000 0.802 182 E CB 0.027 29.757 29.700 0.049 0.000 0.763 182 E HN 0.177 nan 8.360 nan 0.000 0.449 183 K N 0.190 120.648 120.400 0.097 0.000 2.057 183 K HA -0.125 4.195 4.320 -0.000 0.000 0.207 183 K C 1.927 178.586 176.600 0.098 0.000 1.049 183 K CA 1.968 58.313 56.287 0.096 0.000 0.931 183 K CB 0.120 32.691 32.500 0.119 0.000 0.714 183 K HN 0.233 nan 8.250 nan 0.000 0.440 184 T N -4.833 109.791 114.554 0.116 0.000 2.964 184 T HA 0.190 4.540 4.350 -0.000 0.000 0.250 184 T C 1.913 176.651 174.700 0.063 0.000 0.982 184 T CA 0.209 62.369 62.100 0.101 0.000 0.959 184 T CB 0.287 69.271 68.868 0.194 0.000 1.141 184 T HN 0.194 nan 8.240 nan 0.000 0.494 185 G N 1.669 110.523 108.800 0.089 0.000 2.418 185 G HA2 0.079 4.039 3.960 -0.000 0.000 0.217 185 G HA3 0.079 4.039 3.960 -0.000 0.000 0.217 185 G C 1.801 176.756 174.900 0.091 0.000 1.158 185 G CA 0.874 46.025 45.100 0.085 0.000 0.771 185 G HN 0.697 nan 8.290 nan 0.000 0.545 186 A N 0.574 123.440 122.820 0.077 0.000 1.902 186 A HA 0.107 4.427 4.320 -0.000 0.000 0.217 186 A C 2.412 180.079 177.584 0.138 0.000 1.181 186 A CA 1.185 53.272 52.037 0.083 0.000 0.623 186 A CB -0.388 18.642 19.000 0.051 0.000 0.818 186 A HN 0.343 nan 8.150 nan 0.000 0.443 187 L N -0.867 120.410 121.223 0.091 0.000 2.141 187 L HA -0.116 4.224 4.340 -0.000 0.000 0.209 187 L C 2.448 179.373 176.870 0.092 0.000 1.094 187 L CA 0.861 55.759 54.840 0.096 0.000 0.763 187 L CB -0.478 41.595 42.059 0.024 0.000 0.908 187 L HN 0.381 nan 8.230 nan 0.000 0.437 188 L N -1.244 119.995 121.223 0.026 0.000 2.156 188 L HA -0.199 4.141 4.340 -0.000 0.000 0.208 188 L C 2.536 179.418 176.870 0.019 0.000 1.095 188 L CA 0.826 55.658 54.840 -0.014 0.000 0.770 188 L CB -0.539 41.506 42.059 -0.024 0.000 0.914 188 L HN 0.292 nan 8.230 nan 0.000 0.439 189 H N -0.775 118.295 119.070 0.001 0.000 2.293 189 H HA -0.305 4.251 4.556 -0.000 0.000 0.300 189 H C 2.249 177.570 175.328 -0.011 0.000 1.082 189 H CA 2.239 58.289 56.048 0.004 0.000 1.308 189 H CB -0.166 29.627 29.762 0.052 0.000 1.375 189 H HN 0.306 nan 8.280 nan 0.000 0.495 190 Y N 0.766 121.151 120.300 0.141 0.000 2.165 190 Y HA -0.256 4.294 4.550 -0.000 0.000 0.286 190 Y C 2.545 178.398 175.900 -0.079 0.000 1.155 190 Y CA 1.700 59.833 58.100 0.056 0.000 1.164 190 Y CB -0.921 37.574 38.460 0.058 0.000 0.978 190 Y HN 0.361 nan 8.280 nan 0.000 0.513 191 A N -0.419 122.304 122.820 -0.162 0.000 1.917 191 A HA -0.219 4.101 4.320 -0.000 0.000 0.219 191 A C 2.337 179.663 177.584 -0.430 0.000 1.182 191 A CA 2.462 54.322 52.037 -0.295 0.000 0.633 191 A CB -1.371 17.511 19.000 -0.197 0.000 0.819 191 A HN 0.373 nan 8.150 nan 0.000 0.448 192 V N -0.451 119.225 119.914 -0.396 0.000 2.407 192 V HA -0.243 3.877 4.120 -0.000 0.000 0.245 192 V C 2.652 178.423 176.094 -0.538 0.000 1.041 192 V CA 2.004 64.054 62.300 -0.416 0.000 1.040 192 V CB -0.744 30.909 31.823 -0.283 0.000 0.671 192 V HN 0.742 nan 8.190 nan 0.000 0.455 193 Q N 0.121 119.588 119.800 -0.555 0.000 2.112 193 Q HA -0.263 4.077 4.340 -0.000 0.000 0.206 193 Q C 2.257 177.925 176.000 -0.553 0.000 0.987 193 Q CA 2.139 57.604 55.803 -0.564 0.000 0.858 193 Q CB -0.277 28.279 28.738 -0.302 0.000 0.905 193 Q HN 0.642 nan 8.270 nan 0.000 0.420 194 A N 0.222 122.623 122.820 -0.700 0.000 1.940 194 A HA -0.138 4.182 4.320 -0.000 0.000 0.219 194 A C 2.218 179.561 177.584 -0.401 0.000 1.176 194 A CA 1.669 53.363 52.037 -0.572 0.000 0.631 194 A CB -1.185 17.345 19.000 -0.785 0.000 0.814 194 A HN 0.605 nan 8.150 nan 0.000 0.446 195 G N -0.226 108.300 108.800 -0.456 0.000 2.408 195 G HA2 -0.120 3.840 3.960 -0.000 0.000 0.217 195 G HA3 -0.120 3.840 3.960 -0.000 0.000 0.217 195 G C 1.515 176.134 174.900 -0.469 0.000 1.150 195 G CA 0.981 45.826 45.100 -0.425 0.000 0.776 195 G HN 0.454 nan 8.290 nan 0.000 0.542 196 L N -0.056 120.794 121.223 -0.622 0.000 2.093 196 L HA 0.030 4.370 4.340 -0.000 0.000 0.208 196 L C 2.795 179.480 176.870 -0.308 0.000 1.085 196 L CA 0.556 54.963 54.840 -0.721 0.000 0.755 196 L CB -0.388 40.802 42.059 -1.449 0.000 0.904 196 L HN 0.186 nan 8.230 nan 0.000 0.435 197 I N -0.165 120.290 120.570 -0.193 0.000 2.163 197 I HA -0.290 3.880 4.170 -0.000 0.000 0.240 197 I C 2.403 178.510 176.117 -0.017 0.000 1.081 197 I CA 1.395 62.712 61.300 0.028 0.000 1.353 197 I CB -0.227 37.811 38.000 0.063 0.000 1.054 197 I HN 0.173 nan 8.210 nan 0.000 0.407 198 L N 0.250 121.417 121.223 -0.095 0.000 2.141 198 L HA -0.077 4.263 4.340 -0.000 0.000 0.209 198 L C 2.325 179.135 176.870 -0.099 0.000 1.094 198 L CA 1.275 56.069 54.840 -0.078 0.000 0.763 198 L CB -0.723 41.248 42.059 -0.147 0.000 0.908 198 L HN 0.326 nan 8.230 nan 0.000 0.437 199 G N -1.807 106.901 108.800 -0.153 0.000 3.042 199 G HA2 -0.004 3.956 3.960 -0.000 0.000 0.212 199 G HA3 -0.004 3.956 3.960 -0.000 0.000 0.212 199 G C 0.542 175.397 174.900 -0.075 0.000 1.166 199 G CA -0.259 44.756 45.100 -0.142 0.000 0.767 199 G HN 0.445 nan 8.290 nan 0.000 0.546 200 Q N -0.670 119.116 119.800 -0.024 0.000 2.452 200 Q HA -0.193 4.147 4.340 -0.000 0.000 0.318 200 Q C 0.636 176.679 176.000 0.071 0.000 1.386 200 Q CA -0.112 55.723 55.803 0.053 0.000 0.872 200 Q CB -1.877 26.887 28.738 0.044 0.000 1.151 200 Q HN 0.611 nan 8.270 nan 0.000 0.417 201 A N 0.997 123.853 122.820 0.059 0.000 2.511 201 A HA 0.380 4.700 4.320 -0.000 0.000 0.242 201 A C -1.791 175.961 177.584 0.280 0.000 1.069 201 A CA -0.843 51.230 52.037 0.059 0.000 0.763 201 A CB 0.136 19.006 19.000 -0.216 0.000 1.001 201 A HN 0.123 nan 8.150 nan 0.000 0.498 202 P HA 0.029 nan 4.420 nan 0.000 0.266 202 P C 0.776 178.248 177.300 0.285 0.000 1.195 202 P CA -0.037 63.170 63.100 0.179 0.000 0.768 202 P CB 0.551 32.324 31.700 0.122 0.000 0.838 203 E N 2.918 123.194 120.200 0.127 0.000 2.130 203 E HA -0.283 4.067 4.350 -0.000 0.000 0.196 203 E C 1.693 178.385 176.600 0.153 0.000 0.998 203 E CA 1.534 57.936 56.400 0.004 0.000 0.806 203 E CB -0.310 29.315 29.700 -0.125 0.000 0.738 203 E HN 0.515 nan 8.360 nan 0.000 0.459 204 A N 0.415 123.314 122.820 0.132 0.000 2.076 204 A HA -0.211 4.109 4.320 -0.000 0.000 0.220 204 A C 1.886 179.575 177.584 0.174 0.000 1.160 204 A CA 1.387 53.497 52.037 0.122 0.000 0.653 204 A CB -0.280 18.768 19.000 0.080 0.000 0.801 204 A HN 0.352 nan 8.150 nan 0.000 0.455 205 Q N -2.383 117.572 119.800 0.258 0.000 2.408 205 Q HA -0.073 4.267 4.340 -0.000 0.000 0.205 205 Q C 1.460 177.677 176.000 0.363 0.000 0.919 205 Q CA 0.229 56.196 55.803 0.274 0.000 0.932 205 Q CB -0.041 28.880 28.738 0.304 0.000 1.058 205 Q HN 0.865 nan 8.270 nan 0.000 0.517 206 W N 1.354 122.725 121.300 0.118 0.000 2.338 206 W HA -0.090 4.570 4.660 -0.000 0.000 0.304 206 W C -0.815 175.772 176.519 0.114 0.000 1.212 206 W CA 0.911 58.320 57.345 0.107 0.000 1.264 206 W CB -1.627 27.863 29.460 0.050 0.000 1.142 206 W HN 0.203 nan 8.180 nan 0.000 0.512 207 P HA -0.186 nan 4.420 nan 0.000 0.215 207 P C 1.587 178.973 177.300 0.142 0.000 1.153 207 P CA 3.055 66.273 63.100 0.196 0.000 0.853 207 P CB -0.343 31.443 31.700 0.143 0.000 0.788 208 A N -1.681 121.197 122.820 0.096 0.000 1.898 208 A HA -0.203 4.117 4.320 -0.000 0.000 0.216 208 A C 2.128 179.713 177.584 0.002 0.000 1.181 208 A CA 1.394 53.433 52.037 0.004 0.000 0.620 208 A CB -1.890 17.045 19.000 -0.109 0.000 0.819 208 A HN 0.140 nan 8.150 nan 0.000 0.442 209 Y N 0.005 120.296 120.300 -0.014 0.000 2.224 209 Y HA -0.108 4.442 4.550 -0.000 0.000 0.289 209 Y C 2.164 178.070 175.900 0.010 0.000 1.146 209 Y CA 1.500 59.570 58.100 -0.050 0.000 1.182 209 Y CB -0.162 38.159 38.460 -0.232 0.000 0.983 209 Y HN 0.179 nan 8.280 nan 0.000 0.524 210 L N -0.784 120.516 121.223 0.128 0.000 2.240 210 L HA -0.157 4.183 4.340 -0.000 0.000 0.211 210 L C 2.123 179.059 176.870 0.110 0.000 1.106 210 L CA 0.841 55.698 54.840 0.029 0.000 0.793 210 L CB -0.433 41.656 42.059 0.051 0.000 0.927 210 L HN 0.252 nan 8.230 nan 0.000 0.446 211 Q N -0.440 119.447 119.800 0.145 0.000 2.079 211 Q HA -0.211 4.129 4.340 -0.000 0.000 0.200 211 Q C 2.092 178.192 176.000 0.166 0.000 0.974 211 Q CA 1.683 57.571 55.803 0.142 0.000 0.840 211 Q CB -0.199 28.610 28.738 0.119 0.000 0.898 211 Q HN 0.415 nan 8.270 nan 0.000 0.430 212 F N 1.263 121.249 119.950 0.061 0.000 2.095 212 F HA -0.246 4.281 4.527 0.000 0.000 0.298 212 F C 2.055 177.943 175.800 0.145 0.000 1.104 212 F CA 1.563 59.630 58.000 0.112 0.000 1.232 212 F CB -0.500 38.505 39.000 0.009 0.000 0.987 212 F HN 0.004 nan 8.300 nan 0.000 0.475 213 A N 0.127 122.838 122.820 -0.182 0.000 1.902 213 A HA -0.185 4.135 4.320 -0.000 0.000 0.217 213 A C 1.975 179.503 177.584 -0.093 0.000 1.181 213 A CA 1.968 53.828 52.037 -0.294 0.000 0.623 213 A CB -1.068 17.802 19.000 -0.216 0.000 0.818 213 A HN 0.492 nan 8.150 nan 0.000 0.443 214 D N 0.008 120.433 120.400 0.042 0.000 2.117 214 D HA -0.019 4.621 4.640 -0.000 0.000 0.198 214 D C 2.222 178.569 176.300 0.078 0.000 0.982 214 D CA 1.478 55.546 54.000 0.115 0.000 0.828 214 D CB -0.412 40.483 40.800 0.159 0.000 0.967 214 D HN 0.421 nan 8.370 nan 0.000 0.464 215 A N 0.234 123.104 122.820 0.083 0.000 1.898 215 A HA -0.139 4.181 4.320 -0.000 0.000 0.216 215 A C 2.092 179.781 177.584 0.175 0.000 1.181 215 A CA 0.791 52.906 52.037 0.131 0.000 0.620 215 A CB -0.932 18.183 19.000 0.193 0.000 0.819 215 A HN 0.218 nan 8.150 nan 0.000 0.442 216 F N 1.125 121.040 119.950 -0.059 0.000 2.102 216 F HA -0.047 4.480 4.527 0.000 0.000 0.298 216 F C 2.365 178.159 175.800 -0.009 0.000 1.105 216 F CA 1.635 59.541 58.000 -0.158 0.000 1.239 216 F CB -0.643 37.891 39.000 -0.777 0.000 0.991 216 F HN 0.219 nan 8.300 nan 0.000 0.474 217 G N 0.250 109.070 108.800 0.033 0.000 2.422 217 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.218 217 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.218 217 G C 1.566 176.459 174.900 -0.012 0.000 1.146 217 G CA 0.986 46.100 45.100 0.023 0.000 0.769 217 G HN 0.416 nan 8.290 nan 0.000 0.547 218 L N 1.365 122.567 121.223 -0.035 0.000 2.027 218 L HA 0.215 4.555 4.340 -0.000 0.000 0.206 218 L C 3.041 179.756 176.870 -0.258 0.000 1.074 218 L CA 2.160 56.946 54.840 -0.090 0.000 0.745 218 L CB -0.862 41.178 42.059 -0.032 0.000 0.898 218 L HN 0.220 nan 8.230 nan 0.000 0.433 219 A N -0.813 121.829 122.820 -0.295 0.000 1.902 219 A HA -0.275 4.045 4.320 -0.000 0.000 0.217 219 A C 2.301 179.291 177.584 -0.991 0.000 1.181 219 A CA 1.823 53.524 52.037 -0.558 0.000 0.623 219 A CB -1.272 17.512 19.000 -0.360 0.000 0.818 219 A HN 0.584 nan 8.150 nan 0.000 0.443 220 F N 0.692 120.033 119.950 -1.015 0.000 2.065 220 F HA -0.297 4.230 4.527 0.000 0.000 0.298 220 F C 2.394 177.935 175.800 -0.432 0.000 1.112 220 F CA 2.601 60.172 58.000 -0.714 0.000 1.212 220 F CB -0.376 38.421 39.000 -0.338 0.000 0.975 220 F HN 0.326 nan 8.300 nan 0.000 0.476 221 Q N 0.792 120.355 119.800 -0.396 0.000 2.079 221 Q HA -0.106 4.234 4.340 -0.000 0.000 0.200 221 Q C 2.064 177.741 176.000 -0.539 0.000 0.974 221 Q CA 2.214 57.724 55.803 -0.489 0.000 0.840 221 Q CB -0.534 27.934 28.738 -0.450 0.000 0.898 221 Q HN 0.654 nan 8.270 nan 0.000 0.430 222 I N -0.427 119.798 120.570 -0.574 0.000 2.226 222 I HA -0.258 3.912 4.170 -0.000 0.000 0.245 222 I C 1.920 177.815 176.117 -0.370 0.000 1.100 222 I CA 1.229 62.176 61.300 -0.589 0.000 1.374 222 I CB -0.372 37.199 38.000 -0.716 0.000 1.057 222 I HN 0.261 nan 8.210 nan 0.000 0.413 223 Y N 1.667 121.629 120.300 -0.564 0.000 2.200 223 Y HA -0.302 4.248 4.550 0.000 0.000 0.290 223 Y C 2.111 177.803 175.900 -0.346 0.000 1.137 223 Y CA 1.873 59.723 58.100 -0.418 0.000 1.163 223 Y CB -0.466 37.706 38.460 -0.480 0.000 0.988 223 Y HN 0.216 nan 8.280 nan 0.000 0.518 224 D N -0.404 119.679 120.400 -0.528 0.000 2.123 224 D HA -0.200 4.440 4.640 -0.000 0.000 0.196 224 D C 1.631 177.720 176.300 -0.353 0.000 0.992 224 D CA 1.857 55.550 54.000 -0.512 0.000 0.833 224 D CB -0.126 40.322 40.800 -0.586 0.000 0.954 224 D HN 0.328 nan 8.370 nan 0.000 0.455 225 D N -0.454 119.779 120.400 -0.278 0.000 2.117 225 D HA -0.107 4.533 4.640 -0.000 0.000 0.197 225 D C 2.149 178.367 176.300 -0.137 0.000 0.987 225 D CA 0.605 54.524 54.000 -0.134 0.000 0.829 225 D CB -0.199 40.598 40.800 -0.005 0.000 0.961 225 D HN 0.356 nan 8.370 nan 0.000 0.460 226 I N 0.413 120.870 120.570 -0.189 0.000 2.179 226 I HA -0.241 3.929 4.170 -0.000 0.000 0.242 226 I C 2.376 178.360 176.117 -0.222 0.000 1.088 226 I CA 0.691 61.891 61.300 -0.167 0.000 1.357 226 I CB -0.158 37.757 38.000 -0.141 0.000 1.051 226 I HN 0.009 nan 8.210 nan 0.000 0.409 227 L N 0.243 121.237 121.223 -0.382 0.000 2.042 227 L HA -0.283 4.057 4.340 -0.000 0.000 0.210 227 L C 2.239 178.995 176.870 -0.189 0.000 1.076 227 L CA 1.578 56.218 54.840 -0.333 0.000 0.749 227 L CB -0.759 41.034 42.059 -0.443 0.000 0.893 227 L HN 0.308 nan 8.230 nan 0.000 0.432 228 D N -0.372 119.927 120.400 -0.168 0.000 2.190 228 D HA -0.159 4.481 4.640 -0.000 0.000 0.200 228 D C 1.947 178.205 176.300 -0.070 0.000 0.992 228 D CA 1.050 54.990 54.000 -0.100 0.000 0.854 228 D CB 0.244 40.994 40.800 -0.082 0.000 0.936 228 D HN 0.079 nan 8.370 nan 0.000 0.462 229 V N -0.384 119.487 119.914 -0.071 0.000 2.795 229 V HA -0.044 4.076 4.120 -0.000 0.000 0.243 229 V C 2.286 178.355 176.094 -0.042 0.000 1.069 229 V CA 1.122 63.395 62.300 -0.044 0.000 1.089 229 V CB 0.625 32.430 31.823 -0.031 0.000 0.756 229 V HN 0.294 nan 8.190 nan 0.000 0.471 230 V N -1.201 118.679 119.914 -0.057 0.000 3.506 230 V HA 0.273 4.393 4.120 -0.000 0.000 0.263 230 V C 0.793 176.865 176.094 -0.037 0.000 1.203 230 V CA 0.699 62.974 62.300 -0.041 0.000 1.133 230 V CB -0.152 31.649 31.823 -0.038 0.000 0.802 230 V HN 0.506 nan 8.190 nan 0.000 0.459 231 S N 0.882 116.552 115.700 -0.049 0.000 2.566 231 S HA 0.783 5.253 4.470 -0.000 0.000 0.298 231 S C -0.287 174.295 174.600 -0.030 0.000 1.083 231 S CA 0.127 58.304 58.200 -0.038 0.000 0.978 231 S CB 1.999 65.170 63.200 -0.049 0.000 1.073 231 S HN 0.916 nan 8.310 nan 0.000 0.491 232 S N 1.444 117.134 115.700 -0.018 0.000 2.501 232 S HA 0.745 5.215 4.470 -0.000 0.000 0.301 232 S C -2.478 172.116 174.600 -0.009 0.000 1.096 232 S CA -1.116 57.077 58.200 -0.012 0.000 1.063 232 S CB 0.170 63.366 63.200 -0.006 0.000 1.042 232 S HN 0.813 nan 8.310 nan 0.000 0.494 233 P HA 0.316 nan 4.420 nan 0.000 0.269 233 P C 0.331 177.632 177.300 0.003 0.000 1.215 233 P CA -0.374 62.725 63.100 -0.003 0.000 0.780 233 P CB 0.094 31.794 31.700 0.000 0.000 0.898 247 A N 2.047 124.865 122.820 -0.003 0.000 2.370 247 A HA 0.074 4.394 4.320 -0.000 0.000 0.238 247 A C 1.505 179.087 177.584 -0.004 0.000 1.289 247 A CA 0.267 52.302 52.037 -0.003 0.000 0.885 247 A CB -0.534 18.463 19.000 -0.005 0.000 0.961 247 A HN 0.243 nan 8.150 nan 0.000 0.499 248 K N -0.231 120.164 120.400 -0.008 0.000 2.097 248 K HA -0.074 4.246 4.320 -0.000 0.000 0.206 248 K C 0.117 176.700 176.600 -0.028 0.000 1.049 248 K CA 1.310 57.587 56.287 -0.017 0.000 0.933 248 K CB -0.222 32.270 32.500 -0.015 0.000 0.717 248 K HN 0.223 nan 8.250 nan 0.000 0.442 249 N N 1.932 120.619 118.700 -0.022 0.000 2.994 249 N HA 0.059 4.799 4.740 -0.000 0.000 0.306 249 N C -0.933 174.587 175.510 0.017 0.000 1.348 249 N CA 0.228 53.258 53.050 -0.033 0.000 1.109 249 N CB 0.894 39.356 38.487 -0.042 0.000 1.415 249 N HN 0.431 nan 8.380 nan 0.000 0.529 250 T N -4.173 110.395 114.554 0.024 0.000 2.896 250 T HA 0.318 4.668 4.350 -0.000 0.000 0.297 250 T C 1.027 175.774 174.700 0.079 0.000 1.108 250 T CA -0.620 61.545 62.100 0.108 0.000 1.004 250 T CB 1.101 70.012 68.868 0.072 0.000 1.159 250 T HN -0.038 nan 8.240 nan 0.000 0.499 251 Y N 1.450 121.781 120.300 0.051 0.000 2.102 251 Y HA 0.009 4.559 4.550 -0.000 0.000 0.280 251 Y C -0.731 175.169 175.900 -0.001 0.000 1.178 251 Y CA 1.854 59.969 58.100 0.024 0.000 1.146 251 Y CB -1.780 36.688 38.460 0.013 0.000 0.968 251 Y HN 0.558 nan 8.280 nan 0.000 0.504 252 P HA -0.088 nan 4.420 nan 0.000 0.217 252 P C 1.760 179.072 177.300 0.019 0.000 1.151 252 P CA 2.018 65.152 63.100 0.056 0.000 0.828 252 P CB -0.289 31.430 31.700 0.032 0.000 0.788 253 G N 0.431 109.236 108.800 0.008 0.000 2.469 253 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.220 253 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.220 253 G C 1.506 176.385 174.900 -0.035 0.000 1.136 253 G CA 0.956 46.047 45.100 -0.014 0.000 0.759 253 G HN 0.230 nan 8.290 nan 0.000 0.562 254 K N -0.316 120.046 120.400 -0.063 0.000 2.202 254 K HA 0.294 4.614 4.320 -0.000 0.000 0.201 254 K C 2.150 178.714 176.600 -0.060 0.000 1.051 254 K CA 0.330 56.563 56.287 -0.090 0.000 0.977 254 K CB 0.039 32.432 32.500 -0.179 0.000 0.792 254 K HN 0.369 nan 8.250 nan 0.000 0.469 255 L N -0.400 120.803 121.223 -0.033 0.000 2.781 255 L HA 0.250 4.590 4.340 -0.000 0.000 0.245 255 L C 0.492 177.370 176.870 0.013 0.000 1.118 255 L CA -0.002 54.836 54.840 -0.004 0.000 0.918 255 L CB 0.409 42.488 42.059 0.034 0.000 1.246 255 L HN 0.241 nan 8.230 nan 0.000 0.526 256 G N 0.334 109.142 108.800 0.013 0.000 2.712 256 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.686 256 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.686 256 G C -0.034 174.883 174.900 0.028 0.000 1.321 256 G CA -0.374 44.736 45.100 0.015 0.000 0.813 256 G HN -0.087 nan 8.290 nan 0.000 0.599 257 L N 1.022 122.258 121.223 0.021 0.000 2.046 257 L HA 0.089 4.429 4.340 -0.000 0.000 0.208 257 L C 2.920 179.806 176.870 0.028 0.000 1.077 257 L CA 2.281 57.135 54.840 0.023 0.000 0.747 257 L CB -0.852 41.215 42.059 0.013 0.000 0.896 257 L HN 0.669 nan 8.230 nan 0.000 0.432 258 I N -1.263 119.321 120.570 0.023 0.000 2.202 258 I HA -0.210 3.960 4.170 -0.000 0.000 0.242 258 I C 2.447 178.582 176.117 0.030 0.000 1.091 258 I CA 1.262 62.575 61.300 0.023 0.000 1.368 258 I CB -0.966 37.044 38.000 0.017 0.000 1.058 258 I HN 0.350 nan 8.210 nan 0.000 0.410 259 G N 0.518 109.339 108.800 0.035 0.000 2.440 259 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.218 259 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.218 259 G C 1.861 176.809 174.900 0.079 0.000 1.154 259 G CA 0.872 46.001 45.100 0.048 0.000 0.767 259 G HN 0.492 nan 8.290 nan 0.000 0.552 260 A N 1.083 123.959 122.820 0.092 0.000 1.877 260 A HA -0.121 4.199 4.320 -0.000 0.000 0.216 260 A C 2.201 179.813 177.584 0.046 0.000 1.186 260 A CA 2.118 54.229 52.037 0.124 0.000 0.620 260 A CB -0.599 18.470 19.000 0.115 0.000 0.822 260 A HN 0.424 nan 8.150 nan 0.000 0.443 261 N N -0.658 118.063 118.700 0.035 0.000 2.188 261 N HA -0.134 4.606 4.740 -0.000 0.000 0.184 261 N C 1.917 177.436 175.510 0.014 0.000 1.018 261 N CA 1.355 54.420 53.050 0.024 0.000 0.858 261 N CB -0.183 38.324 38.487 0.033 0.000 0.989 261 N HN 0.421 nan 8.380 nan 0.000 0.426 262 Q N -0.182 119.631 119.800 0.021 0.000 2.119 262 Q HA -0.007 4.333 4.340 -0.000 0.000 0.201 262 Q C 1.981 177.988 176.000 0.012 0.000 0.972 262 Q CA 1.312 57.123 55.803 0.015 0.000 0.847 262 Q CB -0.435 28.315 28.738 0.020 0.000 0.903 262 Q HN 0.483 nan 8.270 nan 0.000 0.433 263 A N 0.911 123.747 122.820 0.026 0.000 1.902 263 A HA -0.167 4.153 4.320 -0.000 0.000 0.217 263 A C 2.133 179.678 177.584 -0.065 0.000 1.181 263 A CA 1.235 53.281 52.037 0.015 0.000 0.623 263 A CB -0.652 18.405 19.000 0.095 0.000 0.818 263 A HN 0.329 nan 8.150 nan 0.000 0.443 264 L N 0.084 121.248 121.223 -0.098 0.000 1.989 264 L HA -0.147 4.193 4.340 -0.000 0.000 0.211 264 L C 2.257 179.087 176.870 -0.065 0.000 1.071 264 L CA 1.918 56.684 54.840 -0.123 0.000 0.749 264 L CB -0.480 41.524 42.059 -0.092 0.000 0.890 264 L HN 0.441 nan 8.230 nan 0.000 0.431 265 I N -0.480 120.073 120.570 -0.029 0.000 2.226 265 I HA -0.285 3.885 4.170 -0.000 0.000 0.245 265 I C 2.170 178.280 176.117 -0.013 0.000 1.100 265 I CA 1.661 62.952 61.300 -0.014 0.000 1.374 265 I CB -0.413 37.581 38.000 -0.010 0.000 1.057 265 I HN 0.368 nan 8.210 nan 0.000 0.413 266 D N 0.270 120.664 120.400 -0.010 0.000 2.144 266 D HA -0.151 4.489 4.640 -0.000 0.000 0.199 266 D C 2.097 178.406 176.300 0.014 0.000 0.984 266 D CA 1.442 55.451 54.000 0.015 0.000 0.834 266 D CB 0.101 40.910 40.800 0.016 0.000 0.955 266 D HN 0.165 nan 8.370 nan 0.000 0.465 267 T N -0.017 114.520 114.554 -0.029 0.000 2.812 267 T HA -0.035 4.315 4.350 -0.000 0.000 0.264 267 T C 2.129 176.759 174.700 -0.116 0.000 1.042 267 T CA 0.674 62.747 62.100 -0.046 0.000 1.140 267 T CB -0.178 68.648 68.868 -0.071 0.000 0.870 267 T HN 0.174 nan 8.240 nan 0.000 0.445 268 I N 0.615 121.081 120.570 -0.174 0.000 2.194 268 I HA -0.262 3.908 4.170 -0.000 0.000 0.246 268 I C 2.613 178.422 176.117 -0.514 0.000 1.093 268 I CA 1.559 62.564 61.300 -0.492 0.000 1.355 268 I CB -0.456 37.416 38.000 -0.213 0.000 1.046 268 I HN 0.411 nan 8.210 nan 0.000 0.413 269 H N -0.059 118.849 119.070 -0.270 0.000 2.389 269 H HA -0.151 4.405 4.556 -0.000 0.000 0.299 269 H C 2.459 177.700 175.328 -0.145 0.000 1.081 269 H CA 1.692 57.629 56.048 -0.186 0.000 1.345 269 H CB 0.253 29.954 29.762 -0.101 0.000 1.393 269 H HN 0.235 nan 8.280 nan 0.000 0.520 270 S N -0.418 115.200 115.700 -0.137 0.000 2.370 270 S HA -0.114 4.356 4.470 -0.000 0.000 0.226 270 S C 2.388 176.932 174.600 -0.093 0.000 1.033 270 S CA 1.411 59.549 58.200 -0.103 0.000 1.011 270 S CB -0.704 62.492 63.200 -0.006 0.000 0.852 270 S HN 0.659 nan 8.310 nan 0.000 0.457 271 G N 0.195 108.934 108.800 -0.100 0.000 2.402 271 G HA2 -0.168 3.791 3.960 -0.000 0.000 0.216 271 G HA3 -0.168 3.791 3.960 -0.000 0.000 0.216 271 G C 1.448 176.470 174.900 0.203 0.000 1.162 271 G CA 0.719 45.918 45.100 0.165 0.000 0.777 271 G HN 0.610 nan 8.290 nan 0.000 0.539 272 Q N 0.178 119.894 119.800 -0.139 0.000 2.079 272 Q HA 0.069 4.409 4.340 -0.000 0.000 0.200 272 Q C 2.993 178.921 176.000 -0.119 0.000 0.974 272 Q CA 1.179 56.937 55.803 -0.074 0.000 0.840 272 Q CB -0.247 28.382 28.738 -0.183 0.000 0.898 272 Q HN 0.463 nan 8.270 nan 0.000 0.430 273 A N 1.123 123.797 122.820 -0.244 0.000 1.933 273 A HA -0.135 4.185 4.320 -0.000 0.000 0.218 273 A C 2.289 179.818 177.584 -0.091 0.000 1.175 273 A CA 1.549 53.462 52.037 -0.207 0.000 0.628 273 A CB -0.770 18.064 19.000 -0.278 0.000 0.814 273 A HN 0.398 nan 8.150 nan 0.000 0.444 274 A N -0.286 122.516 122.820 -0.030 0.000 1.902 274 A HA -0.053 4.267 4.320 -0.000 0.000 0.217 274 A C 2.132 179.686 177.584 -0.050 0.000 1.181 274 A CA 1.498 53.541 52.037 0.010 0.000 0.623 274 A CB -0.560 18.505 19.000 0.108 0.000 0.818 274 A HN 0.469 nan 8.150 nan 0.000 0.443 275 L N -0.933 120.253 121.223 -0.062 0.000 2.217 275 L HA -0.162 4.178 4.340 -0.000 0.000 0.211 275 L C 2.572 179.331 176.870 -0.185 0.000 1.107 275 L CA 0.939 55.651 54.840 -0.213 0.000 0.783 275 L CB -0.392 41.511 42.059 -0.260 0.000 0.919 275 L HN 0.511 nan 8.230 nan 0.000 0.442 276 Q N -0.482 119.247 119.800 -0.119 0.000 2.488 276 Q HA -0.076 4.264 4.340 -0.000 0.000 0.211 276 Q C 2.005 177.952 176.000 -0.087 0.000 0.967 276 Q CA 0.749 56.493 55.803 -0.098 0.000 0.926 276 Q CB -0.016 28.675 28.738 -0.079 0.000 0.992 276 Q HN 0.547 nan 8.270 nan 0.000 0.506 277 G N -0.049 108.695 108.800 -0.094 0.000 2.744 277 G HA2 0.044 4.004 3.960 -0.000 0.000 0.211 277 G HA3 0.044 4.004 3.960 -0.000 0.000 0.211 277 G C 0.428 175.274 174.900 -0.089 0.000 1.143 277 G CA 0.121 45.176 45.100 -0.074 0.000 0.788 277 G HN 0.084 nan 8.290 nan 0.000 0.534 278 L N 0.039 121.178 121.223 -0.139 0.000 2.334 278 L HA 0.419 4.759 4.340 -0.000 0.000 0.270 278 L C -2.222 174.586 176.870 -0.103 0.000 1.018 278 L CA -2.348 52.408 54.840 -0.141 0.000 0.811 278 L CB 1.790 43.690 42.059 -0.266 0.000 1.271 278 L HN -0.215 nan 8.230 nan 0.000 0.443 279 P HA 0.024 nan 4.420 nan 0.000 0.266 279 P C -0.550 176.711 177.300 -0.065 0.000 1.195 279 P CA -0.240 62.829 63.100 -0.052 0.000 0.768 279 P CB 0.342 32.024 31.700 -0.030 0.000 0.838 280 T N 0.010 114.532 114.554 -0.054 0.000 2.919 280 T HA 0.494 4.844 4.350 -0.000 0.000 0.302 280 T C 0.108 174.782 174.700 -0.043 0.000 1.031 280 T CA -0.389 61.678 62.100 -0.055 0.000 1.127 280 T CB 0.068 68.911 68.868 -0.043 0.000 0.952 280 T HN 0.484 nan 8.240 nan 0.000 0.540 281 S N 0.672 116.344 115.700 -0.046 0.000 2.588 281 S HA 0.397 4.867 4.470 -0.000 0.000 0.269 281 S C 0.860 175.444 174.600 -0.028 0.000 1.157 281 S CA -0.190 57.992 58.200 -0.030 0.000 0.824 281 S CB 1.154 64.339 63.200 -0.026 0.000 1.126 281 S HN 0.788 nan 8.310 nan 0.000 0.464 282 T N 0.471 115.018 114.554 -0.011 0.000 2.821 282 T HA -0.108 4.242 4.350 -0.000 0.000 0.267 282 T C 1.466 176.166 174.700 0.000 0.000 1.046 282 T CA 2.277 64.377 62.100 -0.001 0.000 1.139 282 T CB -0.580 68.296 68.868 0.014 0.000 0.871 282 T HN 0.661 nan 8.240 nan 0.000 0.454 283 Q N 0.306 120.107 119.800 0.001 0.000 2.119 283 Q HA 0.125 4.465 4.340 -0.000 0.000 0.201 283 Q C 2.546 178.508 176.000 -0.063 0.000 0.972 283 Q CA 1.202 57.005 55.803 -0.002 0.000 0.847 283 Q CB -0.123 28.622 28.738 0.012 0.000 0.903 283 Q HN 0.445 nan 8.270 nan 0.000 0.433 284 R N 0.390 120.840 120.500 -0.083 0.000 2.148 284 R HA -0.079 4.261 4.340 -0.000 0.000 0.223 284 R C 1.221 177.431 176.300 -0.149 0.000 1.088 284 R CA 1.062 57.071 56.100 -0.152 0.000 0.985 284 R CB -0.015 30.185 30.300 -0.168 0.000 0.880 284 R HN 0.325 nan 8.270 nan 0.000 0.451 285 D N 0.875 121.222 120.400 -0.088 0.000 2.117 285 D HA -0.144 4.496 4.640 -0.000 0.000 0.197 285 D C 1.327 177.592 176.300 -0.059 0.000 0.987 285 D CA 1.187 55.150 54.000 -0.061 0.000 0.829 285 D CB -0.208 40.573 40.800 -0.033 0.000 0.961 285 D HN 0.112 nan 8.370 nan 0.000 0.460 286 D N 0.304 120.670 120.400 -0.058 0.000 2.104 286 D HA -0.131 4.509 4.640 -0.000 0.000 0.194 286 D C 2.163 178.397 176.300 -0.110 0.000 0.994 286 D CA 0.363 54.322 54.000 -0.069 0.000 0.830 286 D CB -0.347 40.441 40.800 -0.020 0.000 0.959 286 D HN 0.132 nan 8.370 nan 0.000 0.452 287 L N 0.888 121.990 121.223 -0.201 0.000 2.046 287 L HA -0.055 4.285 4.340 -0.000 0.000 0.208 287 L C 2.118 178.861 176.870 -0.211 0.000 1.077 287 L CA 1.758 56.398 54.840 -0.334 0.000 0.747 287 L CB -0.777 40.972 42.059 -0.517 0.000 0.896 287 L HN -0.022 nan 8.230 nan 0.000 0.432 288 A N -0.508 122.216 122.820 -0.159 0.000 1.978 288 A HA -0.112 4.208 4.320 -0.000 0.000 0.220 288 A C 2.384 180.079 177.584 0.185 0.000 1.170 288 A CA 1.584 53.656 52.037 0.059 0.000 0.636 288 A CB -1.087 17.930 19.000 0.028 0.000 0.810 288 A HN 0.563 nan 8.150 nan 0.000 0.448 289 A N -1.468 121.388 122.820 0.061 0.000 2.121 289 A HA 0.083 4.403 4.320 -0.000 0.000 0.218 289 A C 1.693 179.216 177.584 -0.103 0.000 1.154 289 A CA 0.998 53.024 52.037 -0.018 0.000 0.679 289 A CB -0.777 18.157 19.000 -0.110 0.000 0.795 289 A HN 0.438 nan 8.150 nan 0.000 0.458 290 F N -1.116 118.682 119.950 -0.253 0.000 2.250 290 F HA -0.154 4.373 4.527 -0.000 0.000 0.301 290 F C 1.732 177.471 175.800 -0.102 0.000 1.077 290 F CA 1.168 58.989 58.000 -0.299 0.000 1.348 290 F CB -0.698 38.025 39.000 -0.462 0.000 1.040 290 F HN 0.285 nan 8.300 nan 0.000 0.509 291 F N 0.125 120.246 119.950 0.285 0.000 2.333 291 F HA -0.183 4.344 4.527 -0.000 0.000 0.300 291 F C 2.649 178.387 175.800 -0.104 0.000 1.083 291 F CA 1.214 59.331 58.000 0.194 0.000 1.395 291 F CB -1.202 37.969 39.000 0.286 0.000 1.056 291 F HN -0.022 nan 8.300 nan 0.000 0.529 292 S N -1.576 114.117 115.700 -0.012 0.000 2.555 292 S HA -0.184 4.286 4.470 -0.000 0.000 0.230 292 S C 1.731 176.182 174.600 -0.249 0.000 0.978 292 S CA 0.343 58.472 58.200 -0.118 0.000 0.934 292 S CB -1.035 62.087 63.200 -0.131 0.000 0.766 292 S HN 0.344 nan 8.310 nan 0.000 0.533 293 Y N 1.386 121.435 120.300 -0.418 0.000 2.384 293 Y HA 0.136 4.686 4.550 0.000 0.000 0.289 293 Y C 0.234 175.775 175.900 -0.598 0.000 1.152 293 Y CA -0.161 57.622 58.100 -0.528 0.000 1.258 293 Y CB -0.484 37.561 38.460 -0.692 0.000 0.979 293 Y HN 0.296 nan 8.280 nan 0.000 0.549 294 F N 0.428 120.254 119.950 -0.207 0.000 2.332 294 F HA 0.230 4.757 4.527 -0.000 0.000 0.368 294 F C 0.053 175.566 175.800 -0.478 0.000 1.110 294 F CA -2.162 55.383 58.000 -0.758 0.000 1.087 294 F CB 0.310 39.026 39.000 -0.473 0.000 1.235 294 F HN -0.237 nan 8.300 nan 0.000 0.470 295 D N 2.352 122.559 120.400 -0.323 0.000 2.352 295 D HA 0.057 4.697 4.640 -0.000 0.000 0.245 295 D C 1.108 177.480 176.300 0.120 0.000 1.224 295 D CA 0.042 54.055 54.000 0.022 0.000 0.879 295 D CB 0.968 41.854 40.800 0.143 0.000 1.057 295 D HN 0.603 nan 8.370 nan 0.000 0.491 296 T N 0.421 115.023 114.554 0.080 0.000 3.169 296 T HA 0.091 4.441 4.350 -0.000 0.000 0.250 296 T C 0.852 175.597 174.700 0.075 0.000 1.111 296 T CA 0.143 62.294 62.100 0.085 0.000 1.010 296 T CB -0.032 68.869 68.868 0.054 0.000 0.984 296 T HN 0.401 nan 8.240 nan 0.000 0.537 297 E N 0.407 120.654 120.200 0.078 0.000 2.501 297 E HA 0.215 4.565 4.350 -0.000 0.000 0.200 297 E C 1.842 178.483 176.600 0.067 0.000 1.016 297 E CA -0.361 56.075 56.400 0.060 0.000 0.921 297 E CB 0.329 30.057 29.700 0.046 0.000 1.034 297 E HN 0.415 nan 8.360 nan 0.000 0.468 298 R N 0.256 120.813 120.500 0.095 0.000 2.148 298 R HA 0.039 4.379 4.340 -0.000 0.000 0.223 298 R C 0.983 177.314 176.300 0.052 0.000 1.088 298 R CA 0.552 56.700 56.100 0.081 0.000 0.985 298 R CB 0.158 30.523 30.300 0.107 0.000 0.880 298 R HN -0.032 nan 8.270 nan 0.000 0.451 299 V N 0.000 119.945 119.914 0.052 0.000 2.409 299 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 299 V CA 0.000 62.321 62.300 0.034 0.000 1.235 299 V CB 0.000 31.843 31.823 0.033 0.000 1.184 299 V HN 0.000 nan 8.190 nan 0.000 0.556