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 2jjo_1_A DATA FIRST_RESID 19 DATA SEQUENCE DEVPGMADET ALLDWLGTMR EKQPVWQDRY GVWHVFRHAD VQTVLRDTAT DATA SEQUENCE FSSDPTRVIE GASPTPGMIH EIDPPEHRAL RKVVSSAFTP RTISDLEPRI DATA SEQUENCE RDVTRSLLAD AGESFDLVDV LAFPLPVTIV AELLGLPPMD HEQFGDWSGA DATA SEQUENCE LVDIQMDDPT DPALAERIAD VLNPLTAYLK ARCAERRADP GDDLISRLVL DATA SEQUENCE AEVDGRALDD EEAANFSTAL LLAGHITTTV LLGNIVRTLD EHPAHWDAAA DATA SEQUENCE EDPGRIPAIV EEVLRYRPPF PQMQRTTTKA TEVAGVPIPA DVMVNTWVLS DATA SEQUENCE ANRDSDAHDD PDRFDPSRKS GGAAQLSFGH GVHFCLGAPL ARLENRVALE DATA SEQUENCE EIIARFGRLT VDRDDERLRH FEQIVLGTRH LPVLAGSSPR QSA 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 19 D HA 0.000 nan 4.640 nan 0.000 0.175 19 D C 0.000 176.330 176.300 0.050 0.000 2.045 19 D CA 0.000 54.089 54.000 0.148 0.000 0.868 19 D CB 0.000 40.877 40.800 0.129 0.000 0.688 20 E N 1.089 121.302 120.200 0.022 0.000 4.395 20 E HA -0.093 4.260 4.350 0.006 0.000 0.190 20 E C -0.820 175.570 176.600 -0.350 0.000 1.926 20 E CA 0.154 56.496 56.400 -0.095 0.000 1.001 20 E CB -0.755 28.884 29.700 -0.103 0.000 1.026 20 E HN 0.199 nan 8.360 nan 0.000 0.337 21 V N 4.811 124.513 119.914 -0.353 0.000 2.617 21 V HA 0.099 4.223 4.120 0.006 0.000 0.304 21 V C -1.299 174.458 176.094 -0.560 0.000 1.040 21 V CA -0.763 61.076 62.300 -0.768 0.000 1.149 21 V CB 0.048 31.759 31.823 -0.187 0.000 0.914 21 V HN 0.519 nan 8.190 nan 0.000 0.487 22 P HA 0.225 nan 4.420 nan 0.000 0.269 22 P C 0.405 177.620 177.300 -0.142 0.000 1.215 22 P CA 0.120 63.013 63.100 -0.345 0.000 0.780 22 P CB 0.411 31.923 31.700 -0.313 0.000 0.898 23 G N 1.202 109.965 108.800 -0.061 0.000 2.634 23 G HA2 0.175 4.139 3.960 0.006 0.000 0.255 23 G HA3 0.175 4.139 3.960 0.006 0.000 0.255 23 G C 0.947 175.883 174.900 0.060 0.000 1.205 23 G CA -0.520 44.594 45.100 0.023 0.000 0.884 23 G HN 0.322 nan 8.290 nan 0.000 0.549 24 M N 0.874 120.543 119.600 0.116 0.000 2.374 24 M HA -0.022 4.461 4.480 0.006 0.000 0.264 24 M C 2.741 179.117 176.300 0.127 0.000 1.067 24 M CA 1.168 56.558 55.300 0.151 0.000 1.103 24 M CB -1.412 31.300 32.600 0.187 0.000 1.402 24 M HN 0.622 nan 8.290 nan 0.000 0.444 25 A N -0.253 122.622 122.820 0.091 0.000 1.969 25 A HA -0.114 4.210 4.320 0.006 0.000 0.218 25 A C 1.128 178.636 177.584 -0.127 0.000 1.169 25 A CA 1.138 53.204 52.037 0.048 0.000 0.635 25 A CB -0.434 18.595 19.000 0.048 0.000 0.810 25 A HN 0.397 nan 8.150 nan 0.000 0.445 26 D N -0.265 120.083 120.400 -0.086 0.000 2.479 26 D HA 0.162 4.805 4.640 0.006 0.000 0.218 26 D C 0.888 177.141 176.300 -0.078 0.000 1.131 26 D CA -0.205 53.722 54.000 -0.121 0.000 0.916 26 D CB 0.616 41.363 40.800 -0.088 0.000 1.022 26 D HN 0.509 nan 8.370 nan 0.000 0.515 27 E N 1.747 121.891 120.200 -0.093 0.000 2.047 27 E HA -0.164 4.190 4.350 0.006 0.000 0.191 27 E C 1.027 177.610 176.600 -0.028 0.000 0.987 27 E CA 1.153 57.540 56.400 -0.021 0.000 0.799 27 E CB 0.416 30.123 29.700 0.011 0.000 0.752 27 E HN 0.387 nan 8.360 nan 0.000 0.449 28 T N 0.858 115.387 114.554 -0.042 0.000 2.684 28 T HA -0.197 4.156 4.350 0.006 0.000 0.267 28 T C 1.893 176.574 174.700 -0.032 0.000 1.036 28 T CA 1.560 63.640 62.100 -0.034 0.000 1.148 28 T CB -0.402 68.446 68.868 -0.033 0.000 0.863 28 T HN 0.353 nan 8.240 nan 0.000 0.436 29 A N 1.149 123.946 122.820 -0.039 0.000 1.902 29 A HA -0.019 4.305 4.320 0.006 0.000 0.217 29 A C 2.264 179.839 177.584 -0.015 0.000 1.181 29 A CA 1.404 53.420 52.037 -0.035 0.000 0.623 29 A CB -0.822 18.143 19.000 -0.057 0.000 0.818 29 A HN 0.400 nan 8.150 nan 0.000 0.443 30 L N -0.182 121.029 121.223 -0.020 0.000 1.994 30 L HA -0.100 4.244 4.340 0.006 0.000 0.208 30 L C 2.323 179.203 176.870 0.018 0.000 1.071 30 L CA 1.744 56.586 54.840 0.003 0.000 0.745 30 L CB -0.601 41.471 42.059 0.022 0.000 0.892 30 L HN 0.403 nan 8.230 nan 0.000 0.431 31 L N -0.535 120.681 121.223 -0.012 0.000 2.042 31 L HA -0.246 4.098 4.340 0.006 0.000 0.210 31 L C 2.293 179.125 176.870 -0.062 0.000 1.076 31 L CA 1.461 56.277 54.840 -0.041 0.000 0.749 31 L CB -0.868 41.161 42.059 -0.050 0.000 0.893 31 L HN 0.315 nan 8.230 nan 0.000 0.432 32 D N -0.996 119.379 120.400 -0.041 0.000 2.117 32 D HA -0.237 4.407 4.640 0.006 0.000 0.197 32 D C 1.686 177.933 176.300 -0.088 0.000 0.987 32 D CA 1.107 55.070 54.000 -0.060 0.000 0.829 32 D CB -0.267 40.512 40.800 -0.035 0.000 0.961 32 D HN 0.410 nan 8.370 nan 0.000 0.460 33 W N 1.452 122.601 121.300 -0.251 0.000 2.358 33 W HA -0.104 4.558 4.660 0.004 0.000 0.303 33 W C 1.996 178.234 176.519 -0.468 0.000 1.208 33 W CA 1.104 58.242 57.345 -0.345 0.000 1.274 33 W CB -0.414 28.841 29.460 -0.343 0.000 1.138 33 W HN -0.087 nan 8.180 nan 0.000 0.515 34 L N 0.471 121.473 121.223 -0.369 0.000 2.042 34 L HA -0.144 4.200 4.340 0.006 0.000 0.210 34 L C 2.748 179.262 176.870 -0.594 0.000 1.076 34 L CA 1.621 56.077 54.840 -0.640 0.000 0.749 34 L CB -1.615 40.254 42.059 -0.316 0.000 0.893 34 L HN 0.222 nan 8.230 nan 0.000 0.432 35 G N -0.695 107.885 108.800 -0.366 0.000 2.440 35 G HA2 -0.248 3.716 3.960 0.006 0.000 0.218 35 G HA3 -0.248 3.716 3.960 0.006 0.000 0.218 35 G C 1.573 176.255 174.900 -0.363 0.000 1.154 35 G CA 1.360 46.290 45.100 -0.284 0.000 0.767 35 G HN 0.340 nan 8.290 nan 0.000 0.552 36 T N 1.559 115.845 114.554 -0.447 0.000 2.788 36 T HA -0.084 4.270 4.350 0.006 0.000 0.268 36 T C 2.506 176.834 174.700 -0.620 0.000 1.044 36 T CA 1.242 63.065 62.100 -0.463 0.000 1.139 36 T CB -0.147 68.454 68.868 -0.446 0.000 0.867 36 T HN 0.065 nan 8.240 nan 0.000 0.454 37 M N 1.013 120.016 119.600 -0.996 0.000 2.132 37 M HA 0.076 4.560 4.480 0.006 0.000 0.263 37 M C 2.326 178.202 176.300 -0.706 0.000 1.065 37 M CA 1.262 55.847 55.300 -1.192 0.000 1.122 37 M CB -1.034 30.115 32.600 -2.418 0.000 1.365 37 M HN 0.189 nan 8.290 nan 0.000 0.411 38 R N 0.090 120.267 120.500 -0.538 0.000 2.117 38 R HA -0.195 4.149 4.340 0.006 0.000 0.243 38 R C 2.175 178.380 176.300 -0.159 0.000 1.143 38 R CA 1.630 57.605 56.100 -0.208 0.000 0.968 38 R CB -0.285 29.935 30.300 -0.133 0.000 0.863 38 R HN 0.539 nan 8.270 nan 0.000 0.444 39 E N 0.553 120.624 120.200 -0.216 0.000 2.051 39 E HA -0.128 4.226 4.350 0.006 0.000 0.189 39 E C 1.241 177.756 176.600 -0.141 0.000 0.979 39 E CA 1.046 57.352 56.400 -0.156 0.000 0.803 39 E CB 0.330 29.928 29.700 -0.169 0.000 0.761 39 E HN 0.191 nan 8.360 nan 0.000 0.451 40 K N -1.093 119.187 120.400 -0.200 0.000 2.425 40 K HA 0.107 4.431 4.320 0.006 0.000 0.201 40 K C 0.233 176.757 176.600 -0.127 0.000 1.128 40 K CA 0.040 56.232 56.287 -0.157 0.000 1.000 40 K CB 1.009 33.398 32.500 -0.185 0.000 0.961 40 K HN -0.122 nan 8.250 nan 0.000 0.555 41 Q N 0.499 120.197 119.800 -0.169 0.000 3.825 41 Q HA 0.128 4.471 4.340 0.006 0.000 0.218 41 Q C -2.429 173.616 176.000 0.075 0.000 0.882 41 Q CA -1.236 54.542 55.803 -0.041 0.000 0.766 41 Q CB 1.139 29.819 28.738 -0.097 0.000 1.497 41 Q HN -0.143 nan 8.270 nan 0.000 0.428 42 P HA -0.034 nan 4.420 nan 0.000 0.230 42 P C -0.252 177.314 177.300 0.443 0.000 1.158 42 P CA 0.548 63.821 63.100 0.289 0.000 0.769 42 P CB 0.484 32.278 31.700 0.158 0.000 0.807 43 V N 0.441 120.602 119.914 0.412 0.000 2.462 43 V HA 0.353 4.477 4.120 0.006 0.000 0.288 43 V C -1.383 175.051 176.094 0.567 0.000 1.020 43 V CA -0.573 61.993 62.300 0.444 0.000 0.857 43 V CB 1.826 33.858 31.823 0.348 0.000 1.013 43 V HN 0.057 nan 8.190 nan 0.000 0.431 44 W N 4.890 126.419 121.300 0.381 0.000 2.739 44 W HA 0.573 5.237 4.660 0.008 0.000 0.331 44 W C -0.508 176.025 176.519 0.022 0.000 1.049 44 W CA -0.520 56.962 57.345 0.228 0.000 1.234 44 W CB 1.677 31.337 29.460 0.334 0.000 1.404 44 W HN 0.568 nan 8.180 nan 0.000 0.477 45 Q N 5.058 124.286 119.800 -0.954 0.000 2.296 45 Q HA 0.174 4.518 4.340 0.006 0.000 0.257 45 Q C -0.029 175.072 176.000 -1.499 0.000 0.942 45 Q CA -0.394 54.551 55.803 -1.431 0.000 0.939 45 Q CB 1.010 28.725 28.738 -1.706 0.000 1.198 45 Q HN 0.609 nan 8.270 nan 0.000 0.429 46 D N 2.288 121.940 120.400 -1.248 0.000 2.506 46 D HA 0.055 4.699 4.640 0.006 0.000 0.272 46 D C 0.620 176.581 176.300 -0.565 0.000 1.214 46 D CA -0.470 52.854 54.000 -1.127 0.000 1.067 46 D CB 0.615 40.952 40.800 -0.771 0.000 1.117 46 D HN 0.644 nan 8.370 nan 0.000 0.578 47 R N -1.301 118.927 120.500 -0.454 0.000 2.285 47 R HA -0.031 4.313 4.340 0.006 0.000 0.213 47 R C 1.146 177.211 176.300 -0.392 0.000 1.068 47 R CA 1.139 56.992 56.100 -0.411 0.000 1.004 47 R CB -0.963 29.072 30.300 -0.441 0.000 0.873 47 R HN 0.484 nan 8.270 nan 0.000 0.467 48 Y N 0.357 120.595 120.300 -0.104 0.000 2.457 48 Y HA 0.322 4.876 4.550 0.006 0.000 0.263 48 Y C 1.384 177.233 175.900 -0.085 0.000 1.164 48 Y CA -0.109 57.952 58.100 -0.065 0.000 1.274 48 Y CB 0.801 39.244 38.460 -0.027 0.000 1.097 48 Y HN 0.315 nan 8.280 nan 0.000 0.523 49 G N 0.717 109.478 108.800 -0.066 0.000 2.143 49 G HA2 -0.272 3.692 3.960 0.006 0.000 0.248 49 G HA3 -0.272 3.692 3.960 0.006 0.000 0.248 49 G C -0.180 174.664 174.900 -0.093 0.000 0.991 49 G CA 0.146 45.176 45.100 -0.116 0.000 0.689 49 G HN 0.130 nan 8.290 nan 0.000 0.522 50 V N -0.213 119.644 119.914 -0.094 0.000 2.546 50 V HA 0.598 4.722 4.120 0.006 0.000 0.284 50 V C 0.225 176.230 176.094 -0.148 0.000 1.050 50 V CA -0.383 61.898 62.300 -0.031 0.000 0.981 50 V CB 0.981 32.805 31.823 0.003 0.000 0.990 50 V HN 0.284 nan 8.190 nan 0.000 0.474 51 W N 3.792 125.048 121.300 -0.074 0.000 2.329 51 W HA 0.491 5.155 4.660 0.006 0.000 0.312 51 W C 0.342 176.831 176.519 -0.051 0.000 1.054 51 W CA -0.335 57.008 57.345 -0.003 0.000 1.245 51 W CB 0.542 30.010 29.460 0.012 0.000 1.255 51 W HN 0.539 nan 8.180 nan 0.000 0.436 52 H N 2.452 121.660 119.070 0.230 0.000 2.467 52 H HA 0.493 5.053 4.556 0.006 0.000 0.326 52 H C -0.648 174.593 175.328 -0.146 0.000 1.094 52 H CA -0.713 55.393 56.048 0.097 0.000 1.253 52 H CB 2.052 32.017 29.762 0.339 0.000 1.439 52 H HN 0.028 nan 8.280 nan 0.000 0.479 53 V N 5.075 124.889 119.914 -0.167 0.000 2.409 53 V HA 0.076 4.200 4.120 0.006 0.000 0.291 53 V C -0.157 175.810 176.094 -0.211 0.000 1.020 53 V CA -0.174 62.039 62.300 -0.144 0.000 0.848 53 V CB 0.940 32.711 31.823 -0.086 0.000 0.990 53 V HN 0.732 nan 8.190 nan 0.000 0.430 54 F N 2.115 122.177 119.950 0.187 0.000 2.653 54 F HA 0.361 4.892 4.527 0.005 0.000 0.288 54 F C 1.426 177.265 175.800 0.065 0.000 1.121 54 F CA -0.266 57.795 58.000 0.102 0.000 1.384 54 F CB 0.417 39.379 39.000 -0.063 0.000 1.115 54 F HN 0.278 nan 8.300 nan 0.000 0.599 55 R N -0.039 120.586 120.500 0.208 0.000 2.357 55 R HA 0.141 4.485 4.340 0.006 0.000 0.296 55 R C 0.715 177.086 176.300 0.117 0.000 1.052 55 R CA -0.292 55.897 56.100 0.147 0.000 0.988 55 R CB 0.774 31.141 30.300 0.112 0.000 1.025 55 R HN 0.117 nan 8.270 nan 0.000 0.469 56 H N 2.661 121.755 119.070 0.039 0.000 2.267 56 H HA -0.276 4.283 4.556 0.006 0.000 0.291 56 H C 1.816 177.127 175.328 -0.028 0.000 1.094 56 H CA 2.827 58.878 56.048 0.004 0.000 1.227 56 H CB 0.161 29.911 29.762 -0.021 0.000 1.351 56 H HN 0.792 nan 8.280 nan 0.000 0.483 57 A N 0.341 123.245 122.820 0.139 0.000 1.908 57 A HA -0.217 4.107 4.320 0.006 0.000 0.218 57 A C 2.059 179.636 177.584 -0.012 0.000 1.181 57 A CA 2.040 54.115 52.037 0.063 0.000 0.627 57 A CB -0.444 18.598 19.000 0.070 0.000 0.818 57 A HN 0.633 nan 8.150 nan 0.000 0.445 58 D N -0.374 120.022 120.400 -0.006 0.000 2.149 58 D HA -0.062 4.582 4.640 0.006 0.000 0.201 58 D C 2.074 178.311 176.300 -0.105 0.000 0.972 58 D CA 1.239 55.218 54.000 -0.035 0.000 0.835 58 D CB -0.567 40.233 40.800 0.001 0.000 0.966 58 D HN 0.228 nan 8.370 nan 0.000 0.476 59 V N 1.284 121.130 119.914 -0.113 0.000 2.287 59 V HA -0.275 3.849 4.120 0.006 0.000 0.248 59 V C 2.554 178.542 176.094 -0.177 0.000 1.053 59 V CA 1.678 63.882 62.300 -0.159 0.000 1.027 59 V CB -0.536 31.199 31.823 -0.146 0.000 0.646 59 V HN 0.205 nan 8.190 nan 0.000 0.447 60 Q N -0.576 119.086 119.800 -0.229 0.000 2.096 60 Q HA -0.207 4.137 4.340 0.006 0.000 0.204 60 Q C 2.364 178.362 176.000 -0.003 0.000 0.982 60 Q CA 2.151 57.846 55.803 -0.181 0.000 0.850 60 Q CB -0.422 28.138 28.738 -0.296 0.000 0.901 60 Q HN 0.647 nan 8.270 nan 0.000 0.422 61 T N 0.579 115.112 114.554 -0.035 0.000 2.684 61 T HA -0.137 4.216 4.350 0.006 0.000 0.267 61 T C 2.009 176.687 174.700 -0.036 0.000 1.036 61 T CA 1.407 63.508 62.100 0.002 0.000 1.148 61 T CB -0.266 68.602 68.868 0.000 0.000 0.863 61 T HN 0.056 nan 8.240 nan 0.000 0.436 62 V N 1.371 121.149 119.914 -0.227 0.000 2.358 62 V HA -0.079 4.045 4.120 0.006 0.000 0.246 62 V C 2.449 178.423 176.094 -0.200 0.000 1.047 62 V CA 1.432 63.382 62.300 -0.583 0.000 1.035 62 V CB -0.594 30.739 31.823 -0.816 0.000 0.658 62 V HN 0.449 nan 8.190 nan 0.000 0.452 63 L N -0.852 120.331 121.223 -0.067 0.000 2.217 63 L HA -0.108 4.236 4.340 0.006 0.000 0.211 63 L C 2.662 179.599 176.870 0.112 0.000 1.107 63 L CA 1.245 56.118 54.840 0.055 0.000 0.783 63 L CB -0.471 41.661 42.059 0.121 0.000 0.919 63 L HN 0.216 nan 8.230 nan 0.000 0.442 64 R N -0.195 120.383 120.500 0.130 0.000 2.119 64 R HA -0.077 4.267 4.340 0.006 0.000 0.222 64 R C 0.656 177.015 176.300 0.099 0.000 1.088 64 R CA 0.625 56.780 56.100 0.092 0.000 0.984 64 R CB 0.007 30.373 30.300 0.110 0.000 0.884 64 R HN 0.072 nan 8.270 nan 0.000 0.447 65 D N 0.042 120.543 120.400 0.168 0.000 2.522 65 D HA -0.010 4.634 4.640 0.006 0.000 0.218 65 D C 0.593 177.021 176.300 0.212 0.000 1.149 65 D CA 0.022 54.140 54.000 0.197 0.000 0.981 65 D CB 0.891 41.865 40.800 0.291 0.000 1.041 65 D HN 0.188 nan 8.370 nan 0.000 0.518 66 T N -0.132 114.489 114.554 0.112 0.000 2.995 66 T HA -0.019 4.335 4.350 0.006 0.000 0.269 66 T C 1.877 176.595 174.700 0.030 0.000 1.091 66 T CA 0.701 62.854 62.100 0.088 0.000 1.128 66 T CB 0.034 68.932 68.868 0.050 0.000 0.891 66 T HN 0.200 nan 8.240 nan 0.000 0.492 67 A N 1.777 124.595 122.820 -0.004 0.000 1.902 67 A HA -0.022 4.302 4.320 0.006 0.000 0.217 67 A C 2.572 180.082 177.584 -0.123 0.000 1.181 67 A CA 2.026 54.032 52.037 -0.051 0.000 0.623 67 A CB -1.275 17.696 19.000 -0.048 0.000 0.818 67 A HN 0.547 nan 8.150 nan 0.000 0.443 68 T N -1.116 113.316 114.554 -0.205 0.000 2.894 68 T HA 0.147 4.501 4.350 0.006 0.000 0.258 68 T C -0.004 174.320 174.700 -0.626 0.000 1.043 68 T CA 0.672 62.467 62.100 -0.509 0.000 1.141 68 T CB -0.211 68.161 68.868 -0.826 0.000 0.873 68 T HN 0.304 nan 8.240 nan 0.000 0.449 69 F N 2.237 122.165 119.950 -0.038 0.000 2.310 69 F HA 0.495 5.027 4.527 0.008 0.000 0.365 69 F C 0.606 176.384 175.800 -0.038 0.000 1.080 69 F CA -0.957 57.017 58.000 -0.042 0.000 1.187 69 F CB 0.640 39.616 39.000 -0.039 0.000 1.465 69 F HN -0.060 nan 8.300 nan 0.000 0.496 70 S N 0.904 116.640 115.700 0.060 0.000 2.568 70 S HA 0.056 4.530 4.470 0.006 0.000 0.282 70 S C 1.285 175.891 174.600 0.009 0.000 1.338 70 S CA -0.353 57.861 58.200 0.023 0.000 1.045 70 S CB 0.866 64.057 63.200 -0.015 0.000 0.873 70 S HN 0.566 nan 8.310 nan 0.000 0.516 71 S N 2.136 117.815 115.700 -0.035 0.000 2.562 71 S HA 0.052 4.526 4.470 0.006 0.000 0.221 71 S C 0.172 174.704 174.600 -0.114 0.000 0.975 71 S CA -0.061 58.066 58.200 -0.121 0.000 0.918 71 S CB -0.193 62.821 63.200 -0.311 0.000 0.772 71 S HN 0.811 nan 8.310 nan 0.000 0.531 72 D N 2.434 122.788 120.400 -0.077 0.000 2.336 72 D HA 0.157 4.801 4.640 0.006 0.000 0.249 72 D C -1.589 174.678 176.300 -0.055 0.000 1.213 72 D CA -2.202 51.751 54.000 -0.078 0.000 0.870 72 D CB 1.343 42.106 40.800 -0.060 0.000 1.076 72 D HN 0.065 nan 8.370 nan 0.000 0.483 73 P HA -0.067 nan 4.420 nan 0.000 0.231 73 P C 1.059 178.342 177.300 -0.029 0.000 1.168 73 P CA 0.683 63.762 63.100 -0.035 0.000 0.779 73 P CB 0.014 31.696 31.700 -0.031 0.000 0.844 74 T N -2.225 112.308 114.554 -0.035 0.000 2.951 74 T HA -0.102 4.252 4.350 0.006 0.000 0.268 74 T C 2.001 176.688 174.700 -0.023 0.000 1.073 74 T CA 0.464 62.547 62.100 -0.028 0.000 1.134 74 T CB -0.770 68.079 68.868 -0.032 0.000 0.884 74 T HN 0.062 nan 8.240 nan 0.000 0.479 75 R N 1.534 122.020 120.500 -0.024 0.000 2.153 75 R HA -0.128 4.216 4.340 0.006 0.000 0.252 75 R C 1.998 178.291 176.300 -0.013 0.000 1.158 75 R CA 2.090 58.178 56.100 -0.020 0.000 0.975 75 R CB -0.469 29.817 30.300 -0.024 0.000 0.871 75 R HN 0.552 nan 8.270 nan 0.000 0.450 76 V N -1.966 117.943 119.914 -0.008 0.000 3.427 76 V HA 0.364 4.488 4.120 0.006 0.000 0.305 76 V C 0.322 176.415 176.094 -0.002 0.000 1.412 76 V CA -0.335 61.966 62.300 0.001 0.000 1.086 76 V CB 0.243 32.074 31.823 0.013 0.000 0.964 76 V HN 0.034 nan 8.190 nan 0.000 0.439 77 I N 2.245 122.809 120.570 -0.009 0.000 2.306 77 I HA 0.396 4.570 4.170 0.006 0.000 0.288 77 I C 0.260 176.371 176.117 -0.010 0.000 1.036 77 I CA -0.564 60.729 61.300 -0.012 0.000 1.221 77 I CB 1.309 39.298 38.000 -0.018 0.000 1.385 77 I HN 0.165 nan 8.210 nan 0.000 0.472 78 E N 5.686 125.882 120.200 -0.006 0.000 2.729 78 E HA 0.063 4.416 4.350 0.006 0.000 0.246 78 E C 1.209 177.805 176.600 -0.006 0.000 0.984 78 E CA 1.268 57.666 56.400 -0.004 0.000 0.951 78 E CB 0.083 29.783 29.700 -0.001 0.000 0.914 78 E HN 0.812 nan 8.360 nan 0.000 0.509 79 G N 2.576 111.372 108.800 -0.007 0.000 2.184 79 G HA2 -0.277 3.687 3.960 0.006 0.000 0.264 79 G HA3 -0.277 3.687 3.960 0.006 0.000 0.264 79 G C 0.392 175.286 174.900 -0.009 0.000 0.975 79 G CA 0.209 45.305 45.100 -0.007 0.000 0.642 79 G HN 0.988 nan 8.290 nan 0.000 0.536 80 A N -0.375 122.438 122.820 -0.011 0.000 2.322 80 A HA 0.820 5.144 4.320 0.006 0.000 0.269 80 A C 0.590 178.164 177.584 -0.016 0.000 1.094 80 A CA 0.932 52.960 52.037 -0.014 0.000 0.807 80 A CB 1.166 20.156 19.000 -0.016 0.000 1.047 80 A HN 1.470 nan 8.150 nan 0.000 0.487 81 S N 0.865 116.555 115.700 -0.017 0.000 2.568 81 S HA 0.719 5.193 4.470 0.006 0.000 0.302 81 S C -2.793 171.793 174.600 -0.024 0.000 1.082 81 S CA -1.480 56.709 58.200 -0.019 0.000 1.009 81 S CB 0.834 64.025 63.200 -0.016 0.000 1.069 81 S HN 0.514 nan 8.310 nan 0.000 0.500 82 P HA 0.119 nan 4.420 nan 0.000 0.266 82 P C -0.941 176.338 177.300 -0.035 0.000 1.193 82 P CA 0.084 63.161 63.100 -0.039 0.000 0.770 82 P CB 0.160 31.835 31.700 -0.042 0.000 0.836 83 T N 4.944 119.474 114.554 -0.040 0.000 2.723 83 T HA 0.288 4.642 4.350 0.006 0.000 0.297 83 T C -2.163 172.517 174.700 -0.033 0.000 0.925 83 T CA -1.161 60.923 62.100 -0.026 0.000 1.030 83 T CB -0.079 68.781 68.868 -0.013 0.000 0.905 83 T HN 0.266 nan 8.240 nan 0.000 0.502 84 P HA 0.253 nan 4.420 nan 0.000 0.267 84 P C 1.127 178.409 177.300 -0.031 0.000 1.200 84 P CA 0.545 63.625 63.100 -0.032 0.000 0.772 84 P CB 0.356 32.043 31.700 -0.021 0.000 0.855 85 G N 1.403 110.162 108.800 -0.069 0.000 2.184 85 G HA2 -0.238 3.726 3.960 0.006 0.000 0.264 85 G HA3 -0.238 3.726 3.960 0.006 0.000 0.264 85 G C 0.164 175.004 174.900 -0.100 0.000 0.975 85 G CA -0.299 44.738 45.100 -0.106 0.000 0.642 85 G HN 0.428 nan 8.290 nan 0.000 0.536 86 M N 1.165 120.729 119.600 -0.061 0.000 2.497 86 M HA 0.383 4.867 4.480 0.006 0.000 0.336 86 M C 1.744 177.997 176.300 -0.078 0.000 1.378 86 M CA -1.075 54.215 55.300 -0.017 0.000 1.375 86 M CB -0.330 32.205 32.600 -0.109 0.000 1.337 86 M HN 0.344 nan 8.290 nan 0.000 0.461 87 I N 3.708 124.303 120.570 0.042 0.000 2.194 87 I HA -0.352 3.822 4.170 0.006 0.000 0.246 87 I C 2.387 178.656 176.117 0.253 0.000 1.093 87 I CA 1.730 63.083 61.300 0.088 0.000 1.355 87 I CB -0.082 37.989 38.000 0.118 0.000 1.046 87 I HN 0.713 nan 8.210 nan 0.000 0.413 88 H N 0.230 119.376 119.070 0.126 0.000 2.559 88 H HA -0.006 4.554 4.556 0.007 0.000 0.273 88 H C 0.834 176.091 175.328 -0.117 0.000 1.000 88 H CA 0.811 56.865 56.048 0.009 0.000 1.195 88 H CB -0.490 29.251 29.762 -0.034 0.000 1.368 88 H HN 0.557 nan 8.280 nan 0.000 0.592 89 E N 0.551 120.456 120.200 -0.491 0.000 2.603 89 E HA 0.334 4.688 4.350 0.006 0.000 0.211 89 E C -0.264 176.254 176.600 -0.138 0.000 0.995 89 E CA -0.182 56.006 56.400 -0.354 0.000 0.990 89 E CB 0.910 30.347 29.700 -0.437 0.000 1.036 89 E HN 0.357 nan 8.360 nan 0.000 0.475 90 I N 1.308 121.878 120.570 0.000 0.000 2.530 90 I HA 0.243 4.417 4.170 0.006 0.000 0.297 90 I C -0.168 176.035 176.117 0.144 0.000 1.011 90 I CA -0.879 60.456 61.300 0.059 0.000 1.107 90 I CB 1.657 39.687 38.000 0.049 0.000 1.285 90 I HN -0.144 nan 8.210 nan 0.000 0.436 91 D N 5.470 125.918 120.400 0.079 0.000 2.326 91 D HA 0.402 5.046 4.640 0.006 0.000 0.248 91 D C -2.512 173.821 176.300 0.055 0.000 1.001 91 D CA -1.436 52.602 54.000 0.063 0.000 0.961 91 D CB 1.186 42.005 40.800 0.032 0.000 1.183 91 D HN 0.097 nan 8.370 nan 0.000 0.502 92 P HA 0.056 nan 4.420 nan 0.000 0.268 92 P C -1.665 175.642 177.300 0.012 0.000 1.208 92 P CA -0.643 62.473 63.100 0.027 0.000 0.777 92 P CB 0.139 31.842 31.700 0.004 0.000 0.875 93 P HA 0.005 nan 4.420 nan 0.000 0.240 93 P C 0.700 178.005 177.300 0.008 0.000 1.190 93 P CA 0.865 63.968 63.100 0.006 0.000 0.781 93 P CB 0.344 32.041 31.700 -0.005 0.000 0.931 94 E N -0.617 119.588 120.200 0.009 0.000 2.110 94 E HA -0.204 4.149 4.350 0.006 0.000 0.193 94 E C 2.143 178.739 176.600 -0.006 0.000 0.988 94 E CA 0.894 57.290 56.400 -0.006 0.000 0.804 94 E CB -1.140 28.553 29.700 -0.012 0.000 0.745 94 E HN 0.466 nan 8.360 nan 0.000 0.458 95 H N 1.002 120.032 119.070 -0.067 0.000 2.319 95 H HA -0.153 4.407 4.556 0.006 0.000 0.297 95 H C 2.252 177.526 175.328 -0.090 0.000 1.097 95 H CA 1.972 57.967 56.048 -0.089 0.000 1.285 95 H CB 0.095 29.779 29.762 -0.129 0.000 1.368 95 H HN 0.061 nan 8.280 nan 0.000 0.495 96 R N 0.586 121.025 120.500 -0.102 0.000 2.096 96 R HA -0.165 4.179 4.340 0.006 0.000 0.240 96 R C 2.437 178.644 176.300 -0.156 0.000 1.139 96 R CA 1.667 57.687 56.100 -0.134 0.000 0.952 96 R CB -0.470 29.807 30.300 -0.039 0.000 0.854 96 R HN 0.378 nan 8.270 nan 0.000 0.436 97 A N 0.906 123.658 122.820 -0.114 0.000 1.930 97 A HA -0.140 4.184 4.320 0.006 0.000 0.217 97 A C 2.041 179.557 177.584 -0.114 0.000 1.175 97 A CA 1.091 53.074 52.037 -0.089 0.000 0.627 97 A CB -0.477 18.484 19.000 -0.065 0.000 0.815 97 A HN 0.382 nan 8.150 nan 0.000 0.443 98 L N -0.318 120.793 121.223 -0.187 0.000 2.044 98 L HA 0.003 4.347 4.340 0.006 0.000 0.205 98 L C 2.423 179.186 176.870 -0.178 0.000 1.075 98 L CA 2.205 56.894 54.840 -0.252 0.000 0.747 98 L CB -0.670 41.146 42.059 -0.405 0.000 0.903 98 L HN 0.457 nan 8.230 nan 0.000 0.435 99 R N -0.290 120.048 120.500 -0.269 0.000 2.096 99 R HA -0.216 4.128 4.340 0.006 0.000 0.235 99 R C 2.394 178.683 176.300 -0.018 0.000 1.127 99 R CA 1.651 57.653 56.100 -0.163 0.000 0.968 99 R CB -0.243 29.816 30.300 -0.402 0.000 0.861 99 R HN 0.353 nan 8.270 nan 0.000 0.440 100 K N 0.210 120.582 120.400 -0.048 0.000 2.152 100 K HA -0.113 4.211 4.320 0.006 0.000 0.206 100 K C 1.691 178.323 176.600 0.054 0.000 1.048 100 K CA 1.428 57.717 56.287 0.003 0.000 0.933 100 K CB 0.063 32.553 32.500 -0.017 0.000 0.721 100 K HN 0.091 nan 8.250 nan 0.000 0.447 101 V N 1.008 120.973 119.914 0.085 0.000 2.324 101 V HA -0.243 3.881 4.120 0.006 0.000 0.250 101 V C 2.132 178.315 176.094 0.148 0.000 1.060 101 V CA 2.026 64.407 62.300 0.136 0.000 1.042 101 V CB -0.158 31.811 31.823 0.242 0.000 0.650 101 V HN 0.492 nan 8.190 nan 0.000 0.450 102 V N -2.534 117.502 119.914 0.204 0.000 3.605 102 V HA 0.159 4.283 4.120 0.006 0.000 0.284 102 V C 2.161 178.427 176.094 0.287 0.000 1.386 102 V CA 0.756 63.188 62.300 0.221 0.000 1.053 102 V CB 0.098 32.092 31.823 0.286 0.000 0.857 102 V HN 0.522 nan 8.190 nan 0.000 0.436 103 S N 2.667 118.491 115.700 0.207 0.000 2.383 103 S HA -0.229 4.245 4.470 0.006 0.000 0.229 103 S C 2.081 176.796 174.600 0.191 0.000 1.030 103 S CA 1.931 60.254 58.200 0.206 0.000 1.002 103 S CB -1.000 62.260 63.200 0.100 0.000 0.829 103 S HN 1.052 nan 8.310 nan 0.000 0.467 104 S N 2.057 117.820 115.700 0.105 0.000 2.481 104 S HA 0.255 4.729 4.470 0.006 0.000 0.231 104 S C 1.921 176.520 174.600 -0.000 0.000 0.996 104 S CA 0.541 58.771 58.200 0.050 0.000 0.942 104 S CB -0.693 62.519 63.200 0.020 0.000 0.768 104 S HN 0.792 nan 8.310 nan 0.000 0.520 105 A N 0.287 123.075 122.820 -0.053 0.000 2.121 105 A HA 0.296 4.620 4.320 0.006 0.000 0.218 105 A C 1.221 178.529 177.584 -0.461 0.000 1.154 105 A CA 0.603 52.448 52.037 -0.320 0.000 0.679 105 A CB -0.654 18.022 19.000 -0.540 0.000 0.795 105 A HN 0.624 nan 8.150 nan 0.000 0.458 106 F N 0.130 120.073 119.950 -0.012 0.000 2.683 106 F HA 0.130 4.660 4.527 0.006 0.000 0.306 106 F C 1.240 177.035 175.800 -0.009 0.000 1.102 106 F CA 0.096 58.088 58.000 -0.014 0.000 1.244 106 F CB 0.005 38.996 39.000 -0.015 0.000 1.029 106 F HN 0.065 nan 8.300 nan 0.000 0.545 107 T N -2.110 112.513 114.554 0.116 0.000 2.903 107 T HA 0.069 4.423 4.350 0.006 0.000 0.314 107 T C -1.666 173.066 174.700 0.054 0.000 1.078 107 T CA -1.259 60.886 62.100 0.075 0.000 1.114 107 T CB 1.103 69.996 68.868 0.041 0.000 0.987 107 T HN -0.138 nan 8.240 nan 0.000 0.548 108 P HA -0.165 nan 4.420 nan 0.000 0.216 108 P C 1.779 179.093 177.300 0.024 0.000 1.153 108 P CA 1.233 64.354 63.100 0.036 0.000 0.858 108 P CB -0.022 31.697 31.700 0.031 0.000 0.789 109 R N -1.294 119.216 120.500 0.017 0.000 2.092 109 R HA -0.041 4.303 4.340 0.006 0.000 0.231 109 R C 1.719 178.019 176.300 -0.000 0.000 1.119 109 R CA 1.813 57.918 56.100 0.009 0.000 0.970 109 R CB -2.075 28.229 30.300 0.006 0.000 0.864 109 R HN 0.070 nan 8.270 nan 0.000 0.440 110 T N 1.875 116.425 114.554 -0.006 0.000 2.770 110 T HA 0.033 4.387 4.350 0.006 0.000 0.263 110 T C 1.957 176.639 174.700 -0.031 0.000 1.039 110 T CA 0.983 63.066 62.100 -0.028 0.000 1.142 110 T CB -0.045 68.794 68.868 -0.049 0.000 0.868 110 T HN 0.066 nan 8.240 nan 0.000 0.435 111 I N 2.556 123.116 120.570 -0.016 0.000 2.286 111 I HA -0.132 4.042 4.170 0.006 0.000 0.248 111 I C 2.760 178.879 176.117 0.004 0.000 1.115 111 I CA 1.453 62.750 61.300 -0.005 0.000 1.392 111 I CB -1.510 36.510 38.000 0.032 0.000 1.065 111 I HN 0.341 nan 8.210 nan 0.000 0.418 112 S N 0.116 115.821 115.700 0.008 0.000 2.447 112 S HA -0.150 4.324 4.470 0.006 0.000 0.233 112 S C 1.452 176.056 174.600 0.006 0.000 1.006 112 S CA 0.936 59.143 58.200 0.012 0.000 0.957 112 S CB -0.362 62.847 63.200 0.015 0.000 0.773 112 S HN 0.346 nan 8.310 nan 0.000 0.507 113 D N 1.654 122.052 120.400 -0.003 0.000 2.310 113 D HA 0.081 4.725 4.640 0.006 0.000 0.212 113 D C 1.549 177.845 176.300 -0.007 0.000 0.965 113 D CA 0.580 54.576 54.000 -0.007 0.000 0.879 113 D CB -0.233 40.558 40.800 -0.015 0.000 0.921 113 D HN 0.443 nan 8.370 nan 0.000 0.510 114 L N 0.375 121.593 121.223 -0.007 0.000 2.554 114 L HA 0.027 4.371 4.340 0.006 0.000 0.226 114 L C 2.212 179.085 176.870 0.006 0.000 1.137 114 L CA 0.218 55.055 54.840 -0.005 0.000 0.863 114 L CB -0.117 41.935 42.059 -0.012 0.000 0.985 114 L HN -0.018 nan 8.230 nan 0.000 0.451 115 E N 1.364 121.570 120.200 0.011 0.000 2.070 115 E HA -0.228 4.126 4.350 0.006 0.000 0.197 115 E C -0.598 176.012 176.600 0.016 0.000 1.004 115 E CA 1.553 57.964 56.400 0.018 0.000 0.805 115 E CB -0.491 29.222 29.700 0.022 0.000 0.744 115 E HN 0.296 nan 8.360 nan 0.000 0.451 116 P HA -0.158 nan 4.420 nan 0.000 0.216 116 P C 1.103 178.408 177.300 0.009 0.000 1.153 116 P CA 1.486 64.592 63.100 0.009 0.000 0.848 116 P CB -0.079 31.625 31.700 0.006 0.000 0.787 117 R N 0.353 120.857 120.500 0.007 0.000 2.073 117 R HA -0.082 4.262 4.340 0.006 0.000 0.234 117 R C 2.143 178.449 176.300 0.010 0.000 1.134 117 R CA 1.629 57.733 56.100 0.006 0.000 0.952 117 R CB -1.667 28.634 30.300 0.003 0.000 0.850 117 R HN 0.113 nan 8.270 nan 0.000 0.433 118 I N 0.199 120.777 120.570 0.013 0.000 2.163 118 I HA -0.298 3.876 4.170 0.006 0.000 0.243 118 I C 2.734 178.865 176.117 0.024 0.000 1.085 118 I CA 1.792 63.104 61.300 0.019 0.000 1.347 118 I CB -0.339 37.676 38.000 0.026 0.000 1.044 118 I HN 0.242 nan 8.210 nan 0.000 0.408 119 R N 0.641 121.155 120.500 0.023 0.000 2.092 119 R HA -0.217 4.127 4.340 0.006 0.000 0.231 119 R C 2.014 178.325 176.300 0.017 0.000 1.119 119 R CA 1.964 58.078 56.100 0.025 0.000 0.970 119 R CB -0.224 30.090 30.300 0.023 0.000 0.864 119 R HN 0.280 nan 8.270 nan 0.000 0.440 120 D N -0.349 120.058 120.400 0.012 0.000 2.104 120 D HA -0.141 4.503 4.640 0.006 0.000 0.194 120 D C 1.819 178.124 176.300 0.008 0.000 0.994 120 D CA 1.467 55.472 54.000 0.007 0.000 0.830 120 D CB 0.040 40.843 40.800 0.005 0.000 0.959 120 D HN 0.071 nan 8.370 nan 0.000 0.452 121 V N 0.027 119.948 119.914 0.012 0.000 2.295 121 V HA -0.246 3.878 4.120 0.006 0.000 0.246 121 V C 2.572 178.676 176.094 0.017 0.000 1.049 121 V CA 2.162 64.471 62.300 0.014 0.000 1.024 121 V CB -0.953 30.877 31.823 0.013 0.000 0.648 121 V HN 0.291 nan 8.190 nan 0.000 0.447 122 T N -0.480 114.089 114.554 0.025 0.000 2.708 122 T HA -0.229 4.125 4.350 0.006 0.000 0.266 122 T C 2.060 176.776 174.700 0.026 0.000 1.037 122 T CA 1.859 63.982 62.100 0.039 0.000 1.146 122 T CB -0.247 68.654 68.868 0.055 0.000 0.865 122 T HN 0.389 nan 8.240 nan 0.000 0.435 123 R N 0.716 121.223 120.500 0.011 0.000 2.075 123 R HA -0.038 4.305 4.340 0.006 0.000 0.232 123 R C 2.616 178.901 176.300 -0.025 0.000 1.126 123 R CA 1.439 57.532 56.100 -0.012 0.000 0.963 123 R CB -0.242 30.049 30.300 -0.015 0.000 0.858 123 R HN 0.217 nan 8.270 nan 0.000 0.435 124 S N 0.922 116.613 115.700 -0.014 0.000 2.368 124 S HA -0.098 4.376 4.470 0.006 0.000 0.225 124 S C 1.855 176.442 174.600 -0.021 0.000 1.030 124 S CA 1.135 59.324 58.200 -0.018 0.000 0.999 124 S CB -0.174 63.021 63.200 -0.008 0.000 0.844 124 S HN 0.272 nan 8.310 nan 0.000 0.459 125 L N 0.977 122.194 121.223 -0.009 0.000 2.046 125 L HA -0.087 4.256 4.340 0.006 0.000 0.208 125 L C 2.243 179.087 176.870 -0.044 0.000 1.077 125 L CA 1.094 55.928 54.840 -0.010 0.000 0.747 125 L CB -0.520 41.550 42.059 0.019 0.000 0.896 125 L HN 0.292 nan 8.230 nan 0.000 0.432 126 L N -0.611 120.592 121.223 -0.033 0.000 2.141 126 L HA -0.147 4.197 4.340 0.006 0.000 0.209 126 L C 2.799 179.604 176.870 -0.107 0.000 1.094 126 L CA 0.903 55.712 54.840 -0.052 0.000 0.763 126 L CB -0.645 41.424 42.059 0.016 0.000 0.908 126 L HN 0.238 nan 8.230 nan 0.000 0.437 127 A N -0.591 122.170 122.820 -0.098 0.000 2.019 127 A HA -0.187 4.137 4.320 0.006 0.000 0.219 127 A C 1.651 179.188 177.584 -0.079 0.000 1.164 127 A CA 1.581 53.557 52.037 -0.101 0.000 0.644 127 A CB -0.288 18.666 19.000 -0.077 0.000 0.805 127 A HN 0.338 nan 8.150 nan 0.000 0.449 128 D N -0.159 120.195 120.400 -0.077 0.000 2.339 128 D HA 0.311 4.954 4.640 0.006 0.000 0.217 128 D C 0.608 176.852 176.300 -0.093 0.000 1.050 128 D CA 0.615 54.577 54.000 -0.064 0.000 0.856 128 D CB 0.081 40.854 40.800 -0.045 0.000 0.922 128 D HN 0.412 nan 8.370 nan 0.000 0.518 129 A N 0.589 123.305 122.820 -0.174 0.000 2.354 129 A HA 0.561 4.885 4.320 0.006 0.000 0.269 129 A C 1.152 178.672 177.584 -0.107 0.000 1.109 129 A CA -0.135 51.710 52.037 -0.319 0.000 0.800 129 A CB 0.657 19.068 19.000 -0.982 0.000 1.045 129 A HN 0.135 nan 8.150 nan 0.000 0.489 130 G N -0.033 108.769 108.800 0.004 0.000 2.479 130 G HA2 0.289 4.253 3.960 0.006 0.000 0.275 130 G HA3 0.289 4.253 3.960 0.006 0.000 0.275 130 G C 0.488 175.527 174.900 0.233 0.000 1.421 130 G CA -0.108 45.057 45.100 0.108 0.000 1.059 130 G HN 0.694 nan 8.290 nan 0.000 0.535 131 E N -0.664 119.654 120.200 0.196 0.000 2.371 131 E HA 0.061 4.415 4.350 0.006 0.000 0.194 131 E C 0.420 177.105 176.600 0.141 0.000 1.012 131 E CA 0.474 56.984 56.400 0.184 0.000 0.860 131 E CB 0.331 30.092 29.700 0.102 0.000 0.811 131 E HN 0.138 nan 8.360 nan 0.000 0.502 132 S N 0.546 116.347 115.700 0.169 0.000 2.647 132 S HA 0.589 5.063 4.470 0.006 0.000 0.300 132 S C -0.618 174.096 174.600 0.189 0.000 1.129 132 S CA -0.842 57.392 58.200 0.057 0.000 1.029 132 S CB 0.730 63.936 63.200 0.010 0.000 1.007 132 S HN 0.197 nan 8.310 nan 0.000 0.484 133 F N -0.360 119.552 119.950 -0.064 0.000 2.713 133 F HA 0.649 5.183 4.527 0.013 0.000 0.311 133 F C -1.262 174.523 175.800 -0.026 0.000 1.141 133 F CA -1.274 56.706 58.000 -0.033 0.000 0.939 133 F CB 0.690 39.683 39.000 -0.012 0.000 1.325 133 F HN 0.364 nan 8.300 nan 0.000 0.453 134 D N 2.061 122.567 120.400 0.177 0.000 2.336 134 D HA 0.168 4.811 4.640 0.006 0.000 0.249 134 D C 0.793 177.245 176.300 0.254 0.000 1.213 134 D CA -0.203 53.864 54.000 0.111 0.000 0.870 134 D CB 1.409 42.290 40.800 0.135 0.000 1.076 134 D HN 0.742 nan 8.370 nan 0.000 0.483 135 L N 4.736 126.018 121.223 0.099 0.000 2.081 135 L HA -0.193 4.151 4.340 0.006 0.000 0.212 135 L C 1.756 178.780 176.870 0.256 0.000 1.080 135 L CA 1.626 56.605 54.840 0.233 0.000 0.754 135 L CB -0.202 41.912 42.059 0.093 0.000 0.893 135 L HN 0.467 nan 8.230 nan 0.000 0.433 136 V N -0.453 119.584 119.914 0.206 0.000 2.244 136 V HA -0.279 3.845 4.120 0.006 0.000 0.244 136 V C 2.243 178.500 176.094 0.271 0.000 1.042 136 V CA 2.053 64.480 62.300 0.211 0.000 1.006 136 V CB -0.798 31.093 31.823 0.113 0.000 0.641 136 V HN 0.431 nan 8.190 nan 0.000 0.446 137 D N -0.119 120.447 120.400 0.276 0.000 2.144 137 D HA -0.110 4.533 4.640 0.006 0.000 0.199 137 D C 2.115 178.562 176.300 0.245 0.000 0.984 137 D CA 1.115 55.268 54.000 0.255 0.000 0.834 137 D CB -0.215 40.703 40.800 0.196 0.000 0.955 137 D HN 0.314 nan 8.370 nan 0.000 0.465 138 V N 0.208 120.270 119.914 0.246 0.000 2.302 138 V HA -0.120 4.004 4.120 0.006 0.000 0.243 138 V C 2.017 178.208 176.094 0.162 0.000 1.036 138 V CA 1.234 63.639 62.300 0.176 0.000 1.020 138 V CB -0.016 31.886 31.823 0.132 0.000 0.657 138 V HN 0.119 nan 8.190 nan 0.000 0.453 139 L N -1.049 120.298 121.223 0.208 0.000 2.678 139 L HA 0.515 4.859 4.340 0.006 0.000 0.211 139 L C 2.138 179.105 176.870 0.161 0.000 1.043 139 L CA 1.645 56.585 54.840 0.167 0.000 0.881 139 L CB -0.624 41.552 42.059 0.195 0.000 1.361 139 L HN 0.088 nan 8.230 nan 0.000 0.484 140 A N -0.465 122.475 122.820 0.200 0.000 1.972 140 A HA -0.191 4.133 4.320 0.006 0.000 0.219 140 A C 2.135 179.842 177.584 0.204 0.000 1.169 140 A CA 2.058 54.206 52.037 0.184 0.000 0.635 140 A CB -0.921 18.189 19.000 0.183 0.000 0.810 140 A HN 0.559 nan 8.150 nan 0.000 0.446 141 F N 0.937 120.950 119.950 0.105 0.000 2.123 141 F HA 0.129 4.659 4.527 0.005 0.000 0.289 141 F C -1.020 174.809 175.800 0.050 0.000 1.099 141 F CA 0.781 58.837 58.000 0.093 0.000 1.234 141 F CB -0.924 38.134 39.000 0.097 0.000 1.034 141 F HN 0.100 nan 8.300 nan 0.000 0.479 142 P HA -0.147 nan 4.420 nan 0.000 0.218 142 P C 1.864 179.012 177.300 -0.254 0.000 1.149 142 P CA 1.292 64.205 63.100 -0.310 0.000 0.817 142 P CB -0.127 31.567 31.700 -0.010 0.000 0.785 143 L N 0.434 121.591 121.223 -0.109 0.000 1.961 143 L HA -0.026 4.318 4.340 0.006 0.000 0.210 143 L C -0.904 175.895 176.870 -0.118 0.000 1.072 143 L CA 2.728 57.525 54.840 -0.072 0.000 0.749 143 L CB -2.251 39.812 42.059 0.007 0.000 0.889 143 L HN -0.019 nan 8.230 nan 0.000 0.432 144 P HA -0.156 nan 4.420 nan 0.000 0.216 144 P C 2.207 179.412 177.300 -0.158 0.000 1.150 144 P CA 1.469 64.532 63.100 -0.060 0.000 0.837 144 P CB -0.139 31.579 31.700 0.030 0.000 0.786 145 V N -0.599 119.078 119.914 -0.395 0.000 2.407 145 V HA -0.239 3.885 4.120 0.006 0.000 0.248 145 V C 2.035 177.780 176.094 -0.581 0.000 1.055 145 V CA 2.704 64.647 62.300 -0.595 0.000 1.049 145 V CB -1.386 29.816 31.823 -1.034 0.000 0.662 145 V HN 0.168 nan 8.190 nan 0.000 0.455 146 T N 0.856 115.071 114.554 -0.565 0.000 2.708 146 T HA -0.119 4.235 4.350 0.006 0.000 0.266 146 T C 1.833 176.468 174.700 -0.108 0.000 1.037 146 T CA 1.840 63.752 62.100 -0.314 0.000 1.146 146 T CB -0.231 68.573 68.868 -0.107 0.000 0.865 146 T HN 0.310 nan 8.240 nan 0.000 0.435 147 I N 0.821 121.336 120.570 -0.092 0.000 2.315 147 I HA -0.046 4.128 4.170 0.006 0.000 0.248 147 I C 2.560 178.662 176.117 -0.025 0.000 1.117 147 I CA 0.763 62.042 61.300 -0.035 0.000 1.404 147 I CB -1.443 36.547 38.000 -0.017 0.000 1.071 147 I HN 0.110 nan 8.210 nan 0.000 0.419 148 V N 1.086 120.978 119.914 -0.038 0.000 2.453 148 V HA -0.154 3.970 4.120 0.006 0.000 0.247 148 V C 2.679 178.767 176.094 -0.010 0.000 1.048 148 V CA 1.673 63.964 62.300 -0.015 0.000 1.049 148 V CB -0.349 31.477 31.823 0.005 0.000 0.672 148 V HN 0.395 nan 8.190 nan 0.000 0.457 149 A N -0.633 122.194 122.820 0.011 0.000 1.902 149 A HA -0.253 4.071 4.320 0.006 0.000 0.217 149 A C 2.069 179.724 177.584 0.118 0.000 1.181 149 A CA 2.027 54.154 52.037 0.150 0.000 0.623 149 A CB -0.578 18.628 19.000 0.343 0.000 0.818 149 A HN 0.669 nan 8.150 nan 0.000 0.443 150 E N -0.882 119.365 120.200 0.078 0.000 2.110 150 E HA -0.171 4.183 4.350 0.006 0.000 0.193 150 E C 1.918 178.523 176.600 0.008 0.000 0.988 150 E CA 1.087 57.517 56.400 0.049 0.000 0.804 150 E CB -0.225 29.496 29.700 0.035 0.000 0.745 150 E HN 0.491 nan 8.360 nan 0.000 0.458 151 L N 0.675 121.889 121.223 -0.015 0.000 2.083 151 L HA -0.152 4.192 4.340 0.006 0.000 0.209 151 L C 1.825 178.662 176.870 -0.055 0.000 1.083 151 L CA 1.604 56.408 54.840 -0.060 0.000 0.752 151 L CB -0.064 41.950 42.059 -0.074 0.000 0.899 151 L HN 0.102 nan 8.230 nan 0.000 0.433 152 L N -0.778 120.434 121.223 -0.019 0.000 2.592 152 L HA 0.264 4.608 4.340 0.006 0.000 0.227 152 L C 1.378 178.259 176.870 0.019 0.000 1.127 152 L CA 0.464 55.296 54.840 -0.012 0.000 0.884 152 L CB -0.603 41.453 42.059 -0.006 0.000 1.065 152 L HN 0.501 nan 8.230 nan 0.000 0.457 153 G N 0.926 109.746 108.800 0.032 0.000 2.176 153 G HA2 -0.269 3.695 3.960 0.006 0.000 0.252 153 G HA3 -0.269 3.695 3.960 0.006 0.000 0.252 153 G C 0.065 175.018 174.900 0.088 0.000 1.024 153 G CA -0.026 45.100 45.100 0.044 0.000 0.755 153 G HN 0.248 nan 8.290 nan 0.000 0.507 154 L N 0.876 122.191 121.223 0.153 0.000 2.343 154 L HA 0.580 4.924 4.340 0.006 0.000 0.275 154 L C -1.445 175.549 176.870 0.208 0.000 1.056 154 L CA -2.298 52.694 54.840 0.252 0.000 0.804 154 L CB 1.375 43.706 42.059 0.454 0.000 1.203 154 L HN -0.014 nan 8.230 nan 0.000 0.440 155 P HA 0.251 nan 4.420 nan 0.000 0.281 155 P C -2.359 174.883 177.300 -0.096 0.000 1.249 155 P CA -1.809 61.314 63.100 0.039 0.000 0.810 155 P CB 0.679 32.391 31.700 0.021 0.000 1.008 156 P HA -0.133 nan 4.420 nan 0.000 0.219 156 P C 1.610 178.493 177.300 -0.695 0.000 1.146 156 P CA 1.680 64.333 63.100 -0.746 0.000 0.808 156 P CB -0.357 31.096 31.700 -0.413 0.000 0.779 157 M N -1.967 117.422 119.600 -0.352 0.000 2.358 157 M HA -0.060 4.424 4.480 0.006 0.000 0.264 157 M C 0.489 176.589 176.300 -0.334 0.000 1.064 157 M CA 1.901 57.038 55.300 -0.272 0.000 1.093 157 M CB -0.795 31.707 32.600 -0.162 0.000 1.401 157 M HN -0.267 nan 8.290 nan 0.000 0.440 158 D N -0.158 119.988 120.400 -0.424 0.000 2.349 158 D HA 0.056 4.700 4.640 0.006 0.000 0.214 158 D C 1.475 177.165 176.300 -1.016 0.000 1.063 158 D CA 0.452 54.040 54.000 -0.688 0.000 0.847 158 D CB -0.486 39.924 40.800 -0.650 0.000 0.933 158 D HN 0.631 nan 8.370 nan 0.000 0.513 159 H N 0.286 118.989 119.070 -0.611 0.000 2.387 159 H HA -0.092 4.468 4.556 0.007 0.000 0.299 159 H C 1.654 176.866 175.328 -0.193 0.000 1.099 159 H CA 0.754 56.578 56.048 -0.374 0.000 1.315 159 H CB 0.537 30.212 29.762 -0.144 0.000 1.380 159 H HN -0.019 nan 8.280 nan 0.000 0.513 160 E N 0.850 120.987 120.200 -0.104 0.000 2.072 160 E HA -0.133 4.221 4.350 0.006 0.000 0.191 160 E C 2.268 178.697 176.600 -0.285 0.000 0.985 160 E CA 0.793 57.135 56.400 -0.098 0.000 0.801 160 E CB -0.005 29.620 29.700 -0.125 0.000 0.750 160 E HN 0.450 nan 8.360 nan 0.000 0.452 161 Q N -0.757 118.706 119.800 -0.562 0.000 2.077 161 Q HA -0.197 4.147 4.340 0.006 0.000 0.206 161 Q C 1.933 177.509 176.000 -0.706 0.000 0.989 161 Q CA 1.455 56.671 55.803 -0.978 0.000 0.853 161 Q CB -0.302 27.629 28.738 -1.345 0.000 0.907 161 Q HN 0.322 nan 8.270 nan 0.000 0.418 162 F N -0.154 119.624 119.950 -0.288 0.000 2.134 162 F HA -0.079 4.452 4.527 0.006 0.000 0.299 162 F C 2.438 178.318 175.800 0.134 0.000 1.097 162 F CA 1.185 59.198 58.000 0.022 0.000 1.264 162 F CB -1.405 37.575 39.000 -0.032 0.000 1.001 162 F HN 0.110 nan 8.300 nan 0.000 0.479 163 G N -0.464 108.526 108.800 0.317 0.000 2.408 163 G HA2 -0.209 3.755 3.960 0.006 0.000 0.217 163 G HA3 -0.209 3.755 3.960 0.006 0.000 0.217 163 G C 1.360 176.293 174.900 0.054 0.000 1.150 163 G CA 0.935 46.137 45.100 0.169 0.000 0.776 163 G HN 0.223 nan 8.290 nan 0.000 0.542 164 D N -0.174 120.193 120.400 -0.056 0.000 2.117 164 D HA -0.074 4.570 4.640 0.006 0.000 0.198 164 D C 2.156 178.529 176.300 0.122 0.000 0.982 164 D CA 0.584 54.546 54.000 -0.062 0.000 0.828 164 D CB -0.184 40.483 40.800 -0.221 0.000 0.967 164 D HN 0.372 nan 8.370 nan 0.000 0.464 165 W N 1.325 122.696 121.300 0.118 0.000 2.381 165 W HA -0.018 4.646 4.660 0.006 0.000 0.301 165 W C 2.624 179.209 176.519 0.109 0.000 1.205 165 W CA 0.527 57.941 57.345 0.115 0.000 1.285 165 W CB -1.284 28.263 29.460 0.145 0.000 1.133 165 W HN -0.061 nan 8.180 nan 0.000 0.521 166 S N 0.249 116.179 115.700 0.384 0.000 2.359 166 S HA -0.135 4.339 4.470 0.006 0.000 0.224 166 S C 2.155 176.844 174.600 0.150 0.000 1.035 166 S CA 1.731 60.077 58.200 0.243 0.000 1.018 166 S CB -1.050 62.350 63.200 0.333 0.000 0.876 166 S HN 0.350 nan 8.310 nan 0.000 0.448 167 G N 1.274 110.168 108.800 0.157 0.000 2.442 167 G HA2 -0.074 3.890 3.960 0.006 0.000 0.219 167 G HA3 -0.074 3.890 3.960 0.006 0.000 0.219 167 G C 1.533 176.505 174.900 0.119 0.000 1.141 167 G CA 0.962 46.137 45.100 0.125 0.000 0.763 167 G HN 0.588 nan 8.290 nan 0.000 0.554 168 A N 0.340 123.244 122.820 0.140 0.000 1.898 168 A HA 0.109 4.433 4.320 0.006 0.000 0.216 168 A C 2.343 179.985 177.584 0.096 0.000 1.181 168 A CA 1.628 53.741 52.037 0.127 0.000 0.620 168 A CB -0.420 18.682 19.000 0.170 0.000 0.819 168 A HN 0.439 nan 8.150 nan 0.000 0.442 169 L N -0.109 121.169 121.223 0.092 0.000 2.017 169 L HA -0.086 4.258 4.340 0.006 0.000 0.208 169 L C 2.334 179.220 176.870 0.028 0.000 1.073 169 L CA 1.914 56.783 54.840 0.049 0.000 0.745 169 L CB -0.524 41.555 42.059 0.034 0.000 0.894 169 L HN 0.130 nan 8.230 nan 0.000 0.432 170 V N -0.388 119.537 119.914 0.017 0.000 2.594 170 V HA -0.222 3.902 4.120 0.006 0.000 0.253 170 V C 1.479 177.597 176.094 0.039 0.000 1.069 170 V CA 1.862 64.152 62.300 -0.017 0.000 1.082 170 V CB -0.667 31.089 31.823 -0.111 0.000 0.680 170 V HN 0.457 nan 8.190 nan 0.000 0.469 171 D N -0.894 119.551 120.400 0.075 0.000 2.368 171 D HA 0.233 4.877 4.640 0.006 0.000 0.218 171 D C 0.558 176.899 176.300 0.067 0.000 1.112 171 D CA -0.131 53.923 54.000 0.091 0.000 0.834 171 D CB 0.039 40.906 40.800 0.111 0.000 0.953 171 D HN 0.351 nan 8.370 nan 0.000 0.505 172 I N 1.394 121.996 120.570 0.052 0.000 2.845 172 I HA -0.129 4.045 4.170 0.006 0.000 0.296 172 I C 0.673 176.810 176.117 0.035 0.000 1.216 172 I CA 0.133 61.457 61.300 0.040 0.000 1.438 172 I CB 0.554 38.571 38.000 0.029 0.000 1.342 172 I HN -0.120 nan 8.210 nan 0.000 0.577 173 Q N 8.761 128.579 119.800 0.030 0.000 2.274 173 Q HA 0.176 4.520 4.340 0.006 0.000 0.280 173 Q C -0.932 175.074 176.000 0.011 0.000 1.047 173 Q CA 0.540 56.358 55.803 0.025 0.000 0.907 173 Q CB 0.852 29.604 28.738 0.023 0.000 1.171 173 Q HN 0.706 nan 8.270 nan 0.000 0.381 174 M N 4.123 123.728 119.600 0.009 0.000 2.365 174 M HA 0.214 4.698 4.480 0.006 0.000 0.287 174 M C -1.534 174.757 176.300 -0.016 0.000 1.154 174 M CA -0.191 55.101 55.300 -0.013 0.000 0.941 174 M CB 1.580 34.178 32.600 -0.004 0.000 1.704 174 M HN 0.601 nan 8.290 nan 0.000 0.479 175 D N 1.042 121.399 120.400 -0.073 0.000 2.912 175 D HA 0.168 4.812 4.640 0.006 0.000 0.170 175 D C -0.561 175.527 176.300 -0.353 0.000 1.484 175 D CA -0.211 53.737 54.000 -0.087 0.000 1.542 175 D CB -0.009 40.788 40.800 -0.004 0.000 1.344 175 D HN 0.487 nan 8.370 nan 0.000 0.222 176 D N 1.430 121.403 120.400 -0.711 0.000 2.339 176 D HA 0.131 4.775 4.640 0.006 0.000 0.256 176 D C -1.433 174.622 176.300 -0.409 0.000 1.214 176 D CA -1.951 51.420 54.000 -1.047 0.000 0.877 176 D CB 1.431 41.564 40.800 -1.110 0.000 1.111 176 D HN -0.011 nan 8.370 nan 0.000 0.478 177 P HA -0.044 nan 4.420 nan 0.000 0.241 177 P C 0.841 178.081 177.300 -0.100 0.000 1.191 177 P CA 0.626 63.645 63.100 -0.134 0.000 0.771 177 P CB 0.038 31.684 31.700 -0.090 0.000 0.929 178 T N -4.976 109.511 114.554 -0.111 0.000 3.086 178 T HA 0.050 4.404 4.350 0.006 0.000 0.250 178 T C 0.591 175.254 174.700 -0.062 0.000 1.074 178 T CA -0.262 61.801 62.100 -0.062 0.000 0.988 178 T CB -0.664 68.189 68.868 -0.026 0.000 0.988 178 T HN -0.142 nan 8.240 nan 0.000 0.530 179 D N 3.489 123.832 120.400 -0.095 0.000 2.401 179 D HA 0.117 4.761 4.640 0.006 0.000 0.254 179 D C -1.085 175.188 176.300 -0.045 0.000 1.192 179 D CA -2.175 51.782 54.000 -0.072 0.000 0.885 179 D CB 1.719 42.462 40.800 -0.096 0.000 1.147 179 D HN 0.087 nan 8.370 nan 0.000 0.478 180 P HA -0.107 nan 4.420 nan 0.000 0.222 180 P C 0.896 178.184 177.300 -0.019 0.000 1.147 180 P CA 0.744 63.831 63.100 -0.021 0.000 0.790 180 P CB 0.170 31.861 31.700 -0.014 0.000 0.780 181 A N 0.119 122.927 122.820 -0.020 0.000 1.969 181 A HA -0.137 4.187 4.320 0.006 0.000 0.218 181 A C 2.169 179.742 177.584 -0.018 0.000 1.169 181 A CA 1.229 53.256 52.037 -0.016 0.000 0.635 181 A CB -1.524 17.468 19.000 -0.013 0.000 0.810 181 A HN 0.196 nan 8.150 nan 0.000 0.445 182 L N -0.246 120.960 121.223 -0.029 0.000 2.046 182 L HA -0.045 4.299 4.340 0.006 0.000 0.208 182 L C 2.563 179.422 176.870 -0.018 0.000 1.077 182 L CA 2.216 57.039 54.840 -0.028 0.000 0.747 182 L CB -0.672 41.360 42.059 -0.045 0.000 0.896 182 L HN 0.304 nan 8.230 nan 0.000 0.432 183 A N -1.045 121.763 122.820 -0.019 0.000 1.930 183 A HA -0.132 4.191 4.320 0.006 0.000 0.217 183 A C 2.182 179.760 177.584 -0.009 0.000 1.175 183 A CA 1.431 53.460 52.037 -0.013 0.000 0.627 183 A CB -0.528 18.463 19.000 -0.015 0.000 0.815 183 A HN 0.499 nan 8.150 nan 0.000 0.443 184 E N 0.080 120.274 120.200 -0.010 0.000 2.072 184 E HA -0.136 4.217 4.350 0.006 0.000 0.191 184 E C 2.241 178.838 176.600 -0.005 0.000 0.985 184 E CA 0.811 57.206 56.400 -0.007 0.000 0.801 184 E CB -0.342 29.354 29.700 -0.006 0.000 0.750 184 E HN 0.566 nan 8.360 nan 0.000 0.452 185 R N 0.215 120.712 120.500 -0.004 0.000 2.081 185 R HA -0.071 4.273 4.340 0.006 0.000 0.235 185 R C 2.576 178.877 176.300 0.001 0.000 1.131 185 R CA 1.070 57.170 56.100 0.001 0.000 0.960 185 R CB -0.410 29.891 30.300 0.002 0.000 0.856 185 R HN 0.208 nan 8.270 nan 0.000 0.436 186 I N 0.554 121.123 120.570 -0.002 0.000 2.208 186 I HA -0.294 3.880 4.170 0.006 0.000 0.245 186 I C 2.655 178.767 176.117 -0.009 0.000 1.097 186 I CA 1.337 62.636 61.300 -0.002 0.000 1.363 186 I CB -0.485 37.516 38.000 0.001 0.000 1.051 186 I HN 0.191 nan 8.210 nan 0.000 0.413 187 A N 0.746 123.560 122.820 -0.010 0.000 1.883 187 A HA -0.259 4.065 4.320 0.006 0.000 0.217 187 A C 1.964 179.533 177.584 -0.025 0.000 1.186 187 A CA 2.223 54.251 52.037 -0.016 0.000 0.624 187 A CB -0.678 18.315 19.000 -0.012 0.000 0.822 187 A HN 0.365 nan 8.150 nan 0.000 0.444 188 D N -0.090 120.301 120.400 -0.016 0.000 2.104 188 D HA -0.160 4.484 4.640 0.006 0.000 0.194 188 D C 2.246 178.532 176.300 -0.023 0.000 0.994 188 D CA 2.178 56.169 54.000 -0.014 0.000 0.830 188 D CB -0.870 39.930 40.800 0.000 0.000 0.959 188 D HN 0.483 nan 8.370 nan 0.000 0.452 189 V N -0.704 119.202 119.914 -0.014 0.000 2.407 189 V HA -0.157 3.966 4.120 0.006 0.000 0.248 189 V C 2.256 178.301 176.094 -0.082 0.000 1.055 189 V CA 1.303 63.597 62.300 -0.011 0.000 1.049 189 V CB -0.890 30.948 31.823 0.025 0.000 0.662 189 V HN 0.135 nan 8.190 nan 0.000 0.455 190 L N 0.727 121.893 121.223 -0.094 0.000 2.509 190 L HA 0.062 4.406 4.340 0.006 0.000 0.222 190 L C 2.657 179.396 176.870 -0.219 0.000 1.123 190 L CA 0.934 55.679 54.840 -0.159 0.000 0.856 190 L CB -0.796 41.211 42.059 -0.087 0.000 0.985 190 L HN 0.467 nan 8.230 nan 0.000 0.456 191 N N 1.417 120.021 118.700 -0.160 0.000 2.037 191 N HA -0.184 4.560 4.740 0.006 0.000 0.196 191 N C -0.722 174.666 175.510 -0.203 0.000 1.034 191 N CA 1.951 54.922 53.050 -0.133 0.000 0.861 191 N CB -0.699 37.745 38.487 -0.072 0.000 1.039 191 N HN 0.157 nan 8.380 nan 0.000 0.427 192 P HA -0.083 nan 4.420 nan 0.000 0.216 192 P C 1.810 178.678 177.300 -0.719 0.000 1.153 192 P CA 0.680 63.553 63.100 -0.378 0.000 0.848 192 P CB -0.151 31.365 31.700 -0.307 0.000 0.787 193 L N -0.597 119.924 121.223 -1.169 0.000 2.027 193 L HA -0.091 4.253 4.340 0.006 0.000 0.206 193 L C 1.972 178.688 176.870 -0.258 0.000 1.074 193 L CA 2.295 56.539 54.840 -0.993 0.000 0.745 193 L CB -1.764 39.886 42.059 -0.682 0.000 0.898 193 L HN -0.089 nan 8.230 nan 0.000 0.433 194 T N 0.221 114.653 114.554 -0.205 0.000 2.720 194 T HA -0.158 4.196 4.350 0.006 0.000 0.268 194 T C 1.932 176.615 174.700 -0.029 0.000 1.037 194 T CA 1.429 63.486 62.100 -0.071 0.000 1.144 194 T CB -0.652 68.179 68.868 -0.062 0.000 0.864 194 T HN 0.538 nan 8.240 nan 0.000 0.444 195 A N 0.675 123.470 122.820 -0.043 0.000 1.902 195 A HA -0.105 4.219 4.320 0.006 0.000 0.217 195 A C 2.093 179.716 177.584 0.065 0.000 1.181 195 A CA 1.657 53.699 52.037 0.009 0.000 0.623 195 A CB -1.077 17.931 19.000 0.014 0.000 0.818 195 A HN 0.605 nan 8.150 nan 0.000 0.443 196 Y N 0.515 120.812 120.300 -0.005 0.000 2.128 196 Y HA -0.187 4.367 4.550 0.007 0.000 0.284 196 Y C 1.899 177.858 175.900 0.098 0.000 1.154 196 Y CA 2.062 60.224 58.100 0.103 0.000 1.149 196 Y CB -0.308 38.303 38.460 0.252 0.000 0.976 196 Y HN 0.207 nan 8.280 nan 0.000 0.505 197 L N 0.183 121.437 121.223 0.051 0.000 2.156 197 L HA -0.158 4.186 4.340 0.006 0.000 0.208 197 L C 2.577 179.396 176.870 -0.084 0.000 1.095 197 L CA 1.409 56.217 54.840 -0.053 0.000 0.770 197 L CB -0.496 41.598 42.059 0.058 0.000 0.914 197 L HN 0.156 nan 8.230 nan 0.000 0.439 198 K N 0.530 120.903 120.400 -0.045 0.000 2.057 198 K HA -0.185 4.139 4.320 0.006 0.000 0.207 198 K C 2.161 178.726 176.600 -0.058 0.000 1.049 198 K CA 1.334 57.600 56.287 -0.034 0.000 0.931 198 K CB -0.069 32.423 32.500 -0.013 0.000 0.714 198 K HN 0.272 nan 8.250 nan 0.000 0.440 199 A N 1.549 124.317 122.820 -0.086 0.000 1.933 199 A HA -0.147 4.177 4.320 0.006 0.000 0.218 199 A C 1.974 179.478 177.584 -0.134 0.000 1.175 199 A CA 1.208 53.187 52.037 -0.096 0.000 0.628 199 A CB -0.361 18.585 19.000 -0.091 0.000 0.814 199 A HN 0.271 nan 8.150 nan 0.000 0.444 200 R N -0.835 119.534 120.500 -0.217 0.000 2.115 200 R HA -0.063 4.281 4.340 0.006 0.000 0.226 200 R C 2.205 178.449 176.300 -0.094 0.000 1.100 200 R CA 1.284 57.275 56.100 -0.183 0.000 0.980 200 R CB -1.004 29.144 30.300 -0.254 0.000 0.875 200 R HN 0.589 nan 8.270 nan 0.000 0.445 201 C N 0.971 120.226 119.300 -0.074 0.000 2.436 201 C HA -0.066 4.397 4.460 0.006 0.000 0.277 201 C C 3.050 178.023 174.990 -0.028 0.000 1.241 201 C CA 0.933 59.929 59.018 -0.037 0.000 1.721 201 C CB -1.056 26.672 27.740 -0.019 0.000 2.043 201 C HN 0.576 nan 8.230 nan 0.000 0.472 202 A N 0.794 123.596 122.820 -0.030 0.000 1.903 202 A HA -0.279 4.045 4.320 0.006 0.000 0.219 202 A C 1.958 179.529 177.584 -0.022 0.000 1.191 202 A CA 2.215 54.239 52.037 -0.022 0.000 0.638 202 A CB -0.744 18.243 19.000 -0.021 0.000 0.823 202 A HN 0.752 nan 8.150 nan 0.000 0.451 203 E N -0.869 119.312 120.200 -0.032 0.000 2.085 203 E HA -0.216 4.138 4.350 0.006 0.000 0.194 203 E C 2.247 178.835 176.600 -0.020 0.000 0.994 203 E CA 1.151 57.536 56.400 -0.026 0.000 0.801 203 E CB -0.205 29.476 29.700 -0.033 0.000 0.743 203 E HN 0.378 nan 8.360 nan 0.000 0.453 204 R N 0.725 121.211 120.500 -0.022 0.000 2.148 204 R HA -0.007 4.336 4.340 0.006 0.000 0.227 204 R C 2.145 178.438 176.300 -0.011 0.000 1.103 204 R CA 0.726 56.816 56.100 -0.016 0.000 0.983 204 R CB -0.433 29.856 30.300 -0.019 0.000 0.874 204 R HN 0.201 nan 8.270 nan 0.000 0.451 205 R N 0.264 120.758 120.500 -0.010 0.000 2.096 205 R HA -0.031 4.312 4.340 0.006 0.000 0.235 205 R C 2.157 178.454 176.300 -0.005 0.000 1.127 205 R CA 1.489 57.586 56.100 -0.005 0.000 0.968 205 R CB -0.224 30.074 30.300 -0.003 0.000 0.861 205 R HN 0.182 nan 8.270 nan 0.000 0.440 206 A N 0.268 123.084 122.820 -0.006 0.000 1.898 206 A HA -0.081 4.243 4.320 0.006 0.000 0.214 206 A C 0.342 177.923 177.584 -0.005 0.000 1.183 206 A CA 0.955 52.989 52.037 -0.005 0.000 0.622 206 A CB 0.245 19.241 19.000 -0.005 0.000 0.824 206 A HN 0.208 nan 8.150 nan 0.000 0.444 207 D N -0.528 119.869 120.400 -0.007 0.000 2.363 207 D HA 0.425 5.069 4.640 0.006 0.000 0.258 207 D C -2.966 173.330 176.300 -0.007 0.000 1.259 207 D CA -1.504 52.492 54.000 -0.006 0.000 0.921 207 D CB 1.345 42.142 40.800 -0.005 0.000 1.201 207 D HN 0.067 nan 8.370 nan 0.000 0.524 208 P HA 0.402 nan 4.420 nan 0.000 0.272 208 P C 0.105 177.399 177.300 -0.010 0.000 1.230 208 P CA -0.373 62.721 63.100 -0.009 0.000 0.788 208 P CB 1.383 33.078 31.700 -0.008 0.000 0.949 209 G N -0.373 108.419 108.800 -0.013 0.000 3.022 209 G HA2 0.166 4.130 3.960 0.006 0.000 0.284 209 G HA3 0.166 4.130 3.960 0.006 0.000 0.284 209 G C -0.027 174.862 174.900 -0.020 0.000 1.375 209 G CA -0.305 44.786 45.100 -0.014 0.000 0.902 209 G HN 0.438 nan 8.290 nan 0.000 0.538 210 D N -0.065 120.321 120.400 -0.023 0.000 2.312 210 D HA -0.076 4.568 4.640 0.006 0.000 0.211 210 D C 0.380 176.653 176.300 -0.044 0.000 0.964 210 D CA 0.385 54.366 54.000 -0.031 0.000 0.877 210 D CB -0.010 40.771 40.800 -0.032 0.000 0.924 210 D HN 0.500 nan 8.370 nan 0.000 0.515 211 D N 0.240 120.616 120.400 -0.041 0.000 2.363 211 D HA -0.111 4.533 4.640 0.006 0.000 0.240 211 D C 1.498 177.758 176.300 -0.066 0.000 1.236 211 D CA -0.619 53.349 54.000 -0.053 0.000 0.927 211 D CB 1.384 42.164 40.800 -0.033 0.000 1.150 211 D HN -0.044 nan 8.370 nan 0.000 0.458 212 L N 0.652 121.823 121.223 -0.088 0.000 2.141 212 L HA -0.050 4.294 4.340 0.006 0.000 0.209 212 L C 2.256 179.070 176.870 -0.093 0.000 1.094 212 L CA 1.114 55.889 54.840 -0.108 0.000 0.763 212 L CB -0.573 41.403 42.059 -0.138 0.000 0.908 212 L HN 0.528 nan 8.230 nan 0.000 0.437 213 I N -1.676 118.850 120.570 -0.073 0.000 2.252 213 I HA -0.287 3.887 4.170 0.006 0.000 0.245 213 I C 2.358 178.451 176.117 -0.040 0.000 1.102 213 I CA 1.143 62.405 61.300 -0.062 0.000 1.385 213 I CB -0.393 37.579 38.000 -0.046 0.000 1.064 213 I HN 0.147 nan 8.210 nan 0.000 0.414 214 S N 0.402 116.082 115.700 -0.033 0.000 2.359 214 S HA -0.252 4.222 4.470 0.006 0.000 0.224 214 S C 2.064 176.655 174.600 -0.016 0.000 1.035 214 S CA 1.602 59.789 58.200 -0.021 0.000 1.018 214 S CB -0.373 62.815 63.200 -0.021 0.000 0.876 214 S HN 0.355 nan 8.310 nan 0.000 0.448 215 R N 1.208 121.694 120.500 -0.024 0.000 2.081 215 R HA -0.115 4.229 4.340 0.006 0.000 0.235 215 R C 2.264 178.571 176.300 0.011 0.000 1.131 215 R CA 1.484 57.577 56.100 -0.012 0.000 0.960 215 R CB -0.449 29.834 30.300 -0.028 0.000 0.856 215 R HN 0.490 nan 8.270 nan 0.000 0.436 216 L N -0.569 120.656 121.223 0.003 0.000 2.109 216 L HA 0.028 4.372 4.340 0.006 0.000 0.207 216 L C 2.119 179.031 176.870 0.070 0.000 1.086 216 L CA 1.325 56.199 54.840 0.057 0.000 0.760 216 L CB -0.958 41.107 42.059 0.011 0.000 0.910 216 L HN 0.067 nan 8.230 nan 0.000 0.437 217 V N -2.258 117.676 119.914 0.033 0.000 2.809 217 V HA -0.026 4.098 4.120 0.006 0.000 0.256 217 V C 2.097 178.207 176.094 0.026 0.000 1.080 217 V CA 1.416 63.735 62.300 0.031 0.000 1.102 217 V CB -0.825 31.006 31.823 0.013 0.000 0.705 217 V HN 0.528 nan 8.190 nan 0.000 0.475 218 L N 0.664 121.900 121.223 0.021 0.000 2.607 218 L HA 0.519 4.863 4.340 0.006 0.000 0.228 218 L C 1.542 178.424 176.870 0.020 0.000 1.123 218 L CA 0.293 55.142 54.840 0.016 0.000 0.890 218 L CB -0.357 41.707 42.059 0.008 0.000 1.103 218 L HN 0.385 nan 8.230 nan 0.000 0.468 219 A N 0.504 123.344 122.820 0.033 0.000 2.366 219 A HA 0.263 4.587 4.320 0.006 0.000 0.249 219 A C 0.072 177.672 177.584 0.027 0.000 1.084 219 A CA -0.110 51.949 52.037 0.036 0.000 0.794 219 A CB 0.321 19.357 19.000 0.061 0.000 1.034 219 A HN 0.209 nan 8.150 nan 0.000 0.491 220 E N 0.127 120.339 120.200 0.019 0.000 2.133 220 E HA 0.454 4.808 4.350 0.006 0.000 0.274 220 E C -1.119 175.484 176.600 0.005 0.000 0.930 220 E CA -0.543 55.864 56.400 0.010 0.000 0.770 220 E CB 1.715 31.418 29.700 0.005 0.000 1.104 220 E HN 0.551 nan 8.360 nan 0.000 0.403 221 V N 0.319 120.232 119.914 -0.002 0.000 2.448 221 V HA 0.362 4.486 4.120 0.006 0.000 0.295 221 V C -0.165 175.917 176.094 -0.020 0.000 1.025 221 V CA -0.905 61.385 62.300 -0.017 0.000 0.859 221 V CB 1.509 33.311 31.823 -0.035 0.000 0.988 221 V HN 0.706 nan 8.190 nan 0.000 0.431 222 D N 3.704 124.091 120.400 -0.021 0.000 2.686 222 D HA -0.085 4.559 4.640 0.006 0.000 0.235 222 D C 1.362 177.654 176.300 -0.013 0.000 1.160 222 D CA 2.184 56.173 54.000 -0.018 0.000 0.645 222 D CB -1.134 39.653 40.800 -0.022 0.000 1.039 222 D HN 2.014 nan 8.370 nan 0.000 0.423 223 G N 0.163 108.958 108.800 -0.009 0.000 2.187 223 G HA2 -0.364 3.600 3.960 0.006 0.000 0.261 223 G HA3 -0.364 3.600 3.960 0.006 0.000 0.261 223 G C 0.205 175.102 174.900 -0.005 0.000 1.000 223 G CA 0.828 45.925 45.100 -0.006 0.000 0.718 223 G HN 0.853 nan 8.290 nan 0.000 0.519 224 R N -1.761 118.736 120.500 -0.005 0.000 2.604 224 R HA 0.794 5.137 4.340 0.006 0.000 0.270 224 R C 0.182 176.482 176.300 0.001 0.000 1.052 224 R CA -0.460 55.638 56.100 -0.002 0.000 0.902 224 R CB 0.786 31.084 30.300 -0.005 0.000 1.233 224 R HN 1.086 nan 8.270 nan 0.000 0.455 225 A N 3.368 126.191 122.820 0.005 0.000 2.547 225 A HA 0.188 4.511 4.320 0.006 0.000 0.233 225 A C 0.322 177.914 177.584 0.012 0.000 1.067 225 A CA -0.306 51.739 52.037 0.012 0.000 0.763 225 A CB 0.031 19.038 19.000 0.013 0.000 1.007 225 A HN 0.651 nan 8.150 nan 0.000 0.506 226 L N 1.920 123.158 121.223 0.024 0.000 2.525 226 L HA 0.069 4.413 4.340 0.006 0.000 0.278 226 L C 0.739 177.622 176.870 0.022 0.000 1.218 226 L CA -0.334 54.521 54.840 0.025 0.000 0.878 226 L CB -0.031 42.063 42.059 0.059 0.000 1.127 226 L HN 0.948 nan 8.230 nan 0.000 0.492 227 D N 1.024 121.432 120.400 0.013 0.000 2.372 227 D HA -0.039 4.605 4.640 0.006 0.000 0.243 227 D C 0.463 176.775 176.300 0.019 0.000 1.297 227 D CA -0.377 53.630 54.000 0.011 0.000 0.958 227 D CB 0.601 41.404 40.800 0.004 0.000 1.114 227 D HN 0.395 nan 8.370 nan 0.000 0.496 228 D N -1.003 119.405 120.400 0.014 0.000 2.144 228 D HA -0.144 4.500 4.640 0.006 0.000 0.200 228 D C 1.567 177.879 176.300 0.020 0.000 0.978 228 D CA 1.090 55.099 54.000 0.015 0.000 0.833 228 D CB -0.177 40.628 40.800 0.008 0.000 0.961 228 D HN 0.726 nan 8.370 nan 0.000 0.470 229 E N 0.773 120.982 120.200 0.016 0.000 2.047 229 E HA -0.180 4.174 4.350 0.006 0.000 0.191 229 E C 1.708 178.326 176.600 0.030 0.000 0.987 229 E CA 0.854 57.264 56.400 0.017 0.000 0.799 229 E CB 0.123 29.828 29.700 0.008 0.000 0.752 229 E HN 0.260 nan 8.360 nan 0.000 0.449 230 E N 0.097 120.314 120.200 0.029 0.000 2.058 230 E HA -0.206 4.148 4.350 0.006 0.000 0.194 230 E C 1.994 178.654 176.600 0.100 0.000 0.997 230 E CA 1.112 57.534 56.400 0.037 0.000 0.801 230 E CB -0.138 29.568 29.700 0.010 0.000 0.746 230 E HN 0.354 nan 8.360 nan 0.000 0.450 231 A N 1.030 123.911 122.820 0.101 0.000 1.968 231 A HA 0.005 4.329 4.320 0.006 0.000 0.217 231 A C 2.292 179.948 177.584 0.120 0.000 1.169 231 A CA 1.388 53.513 52.037 0.147 0.000 0.638 231 A CB -0.375 18.684 19.000 0.098 0.000 0.812 231 A HN 0.285 nan 8.150 nan 0.000 0.446 232 A N 0.262 123.125 122.820 0.073 0.000 1.929 232 A HA -0.125 4.199 4.320 0.006 0.000 0.216 232 A C 1.909 179.535 177.584 0.071 0.000 1.176 232 A CA 1.550 53.617 52.037 0.049 0.000 0.628 232 A CB -0.479 18.535 19.000 0.023 0.000 0.816 232 A HN 0.511 nan 8.150 nan 0.000 0.444 233 N N -0.701 118.054 118.700 0.091 0.000 2.142 233 N HA -0.103 4.641 4.740 0.006 0.000 0.186 233 N C 1.434 177.061 175.510 0.196 0.000 1.023 233 N CA 1.139 54.252 53.050 0.106 0.000 0.852 233 N CB -0.586 37.949 38.487 0.081 0.000 0.998 233 N HN 0.422 nan 8.380 nan 0.000 0.424 234 F N 2.376 122.342 119.950 0.028 0.000 2.095 234 F HA -0.123 4.407 4.527 0.006 0.000 0.298 234 F C 2.302 178.120 175.800 0.030 0.000 1.104 234 F CA 0.972 58.994 58.000 0.037 0.000 1.232 234 F CB -0.781 38.237 39.000 0.030 0.000 0.987 234 F HN -0.057 nan 8.300 nan 0.000 0.475 235 S N -0.678 115.056 115.700 0.057 0.000 2.382 235 S HA -0.180 4.294 4.470 0.006 0.000 0.228 235 S C 1.986 176.570 174.600 -0.026 0.000 1.027 235 S CA 1.681 59.842 58.200 -0.065 0.000 0.991 235 S CB -0.636 62.545 63.200 -0.032 0.000 0.823 235 S HN 0.456 nan 8.310 nan 0.000 0.469 236 T N 2.301 116.870 114.554 0.025 0.000 2.737 236 T HA 0.016 4.370 4.350 0.006 0.000 0.265 236 T C 2.205 176.902 174.700 -0.004 0.000 1.038 236 T CA 1.168 63.274 62.100 0.009 0.000 1.144 236 T CB -0.484 68.394 68.868 0.016 0.000 0.866 236 T HN 0.465 nan 8.240 nan 0.000 0.434 237 A N 1.239 124.085 122.820 0.043 0.000 1.902 237 A HA 0.000 4.324 4.320 0.006 0.000 0.217 237 A C 2.301 179.861 177.584 -0.040 0.000 1.181 237 A CA 1.234 53.274 52.037 0.005 0.000 0.623 237 A CB -0.902 18.195 19.000 0.161 0.000 0.818 237 A HN 0.461 nan 8.150 nan 0.000 0.443 238 L N -1.157 120.044 121.223 -0.037 0.000 2.046 238 L HA -0.188 4.156 4.340 0.006 0.000 0.208 238 L C 2.606 179.442 176.870 -0.057 0.000 1.077 238 L CA 1.433 56.229 54.840 -0.074 0.000 0.747 238 L CB -0.495 41.471 42.059 -0.155 0.000 0.896 238 L HN 0.516 nan 8.230 nan 0.000 0.432 239 L N -0.409 120.774 121.223 -0.067 0.000 2.017 239 L HA -0.213 4.130 4.340 0.006 0.000 0.208 239 L C 2.369 179.242 176.870 0.005 0.000 1.073 239 L CA 1.618 56.417 54.840 -0.067 0.000 0.745 239 L CB -0.216 41.744 42.059 -0.166 0.000 0.894 239 L HN 0.094 nan 8.230 nan 0.000 0.432 240 L N -0.538 120.653 121.223 -0.055 0.000 2.046 240 L HA -0.172 4.172 4.340 0.006 0.000 0.208 240 L C 2.700 179.422 176.870 -0.247 0.000 1.077 240 L CA 1.142 55.895 54.840 -0.145 0.000 0.747 240 L CB -0.867 41.104 42.059 -0.147 0.000 0.896 240 L HN 0.386 nan 8.230 nan 0.000 0.432 241 A N 0.057 122.761 122.820 -0.193 0.000 1.969 241 A HA -0.080 4.244 4.320 0.006 0.000 0.218 241 A C 2.305 179.805 177.584 -0.141 0.000 1.169 241 A CA 1.521 53.434 52.037 -0.206 0.000 0.635 241 A CB -0.976 17.919 19.000 -0.176 0.000 0.810 241 A HN 0.446 nan 8.150 nan 0.000 0.445 242 G N -1.288 107.472 108.800 -0.066 0.000 2.650 242 G HA2 0.079 4.043 3.960 0.006 0.000 0.214 242 G HA3 0.079 4.043 3.960 0.006 0.000 0.214 242 G C 1.053 175.992 174.900 0.066 0.000 1.136 242 G CA 1.337 46.447 45.100 0.017 0.000 0.789 242 G HN 0.934 nan 8.290 nan 0.000 0.536 243 H N -2.628 116.414 119.070 -0.047 0.000 2.916 243 H HA 0.332 4.891 4.556 0.006 0.000 0.229 243 H C 2.040 177.370 175.328 0.003 0.000 0.917 243 H CA -0.277 55.755 56.048 -0.027 0.000 1.048 243 H CB -0.107 29.630 29.762 -0.043 0.000 1.417 243 H HN 0.164 nan 8.280 nan 0.000 0.445 244 I N 1.976 122.219 120.570 -0.544 0.000 2.142 244 I HA -0.219 3.955 4.170 0.006 0.000 0.240 244 I C 2.298 178.326 176.117 -0.149 0.000 1.078 244 I CA 2.113 63.203 61.300 -0.350 0.000 1.343 244 I CB -0.371 37.377 38.000 -0.420 0.000 1.046 244 I HN 0.558 nan 8.210 nan 0.000 0.405 245 T N -2.584 111.877 114.554 -0.155 0.000 2.951 245 T HA -0.096 4.258 4.350 0.006 0.000 0.268 245 T C 1.776 176.477 174.700 0.002 0.000 1.073 245 T CA 1.537 63.590 62.100 -0.078 0.000 1.134 245 T CB -0.782 68.035 68.868 -0.086 0.000 0.884 245 T HN 0.236 nan 8.240 nan 0.000 0.479 246 T N 2.196 116.765 114.554 0.025 0.000 2.746 246 T HA -0.097 4.257 4.350 0.006 0.000 0.267 246 T C 2.225 176.977 174.700 0.086 0.000 1.039 246 T CA 1.792 63.935 62.100 0.071 0.000 1.142 246 T CB -0.889 68.025 68.868 0.077 0.000 0.866 246 T HN 0.486 nan 8.240 nan 0.000 0.444 247 T N 1.974 116.588 114.554 0.100 0.000 2.652 247 T HA -0.094 4.260 4.350 0.006 0.000 0.267 247 T C 2.194 176.970 174.700 0.127 0.000 1.039 247 T CA 1.077 63.263 62.100 0.144 0.000 1.153 247 T CB -0.638 68.363 68.868 0.221 0.000 0.863 247 T HN 0.130 nan 8.240 nan 0.000 0.428 248 V N 1.496 121.468 119.914 0.095 0.000 2.332 248 V HA -0.130 3.993 4.120 0.006 0.000 0.248 248 V C 2.404 178.547 176.094 0.081 0.000 1.055 248 V CA 1.454 63.812 62.300 0.097 0.000 1.038 248 V CB -0.651 31.194 31.823 0.036 0.000 0.651 248 V HN 0.328 nan 8.190 nan 0.000 0.450 249 L N -0.385 120.876 121.223 0.064 0.000 2.056 249 L HA -0.098 4.246 4.340 0.006 0.000 0.207 249 L C 2.149 179.061 176.870 0.070 0.000 1.078 249 L CA 1.845 56.718 54.840 0.056 0.000 0.749 249 L CB -0.669 41.419 42.059 0.049 0.000 0.901 249 L HN 0.296 nan 8.230 nan 0.000 0.433 250 L N -0.152 121.124 121.223 0.088 0.000 2.083 250 L HA 0.029 4.373 4.340 0.006 0.000 0.209 250 L C 2.301 179.228 176.870 0.095 0.000 1.083 250 L CA 2.015 56.914 54.840 0.098 0.000 0.752 250 L CB -1.463 40.667 42.059 0.118 0.000 0.899 250 L HN 0.301 nan 8.230 nan 0.000 0.433 251 G N -0.752 108.103 108.800 0.092 0.000 2.418 251 G HA2 -0.305 3.659 3.960 0.006 0.000 0.217 251 G HA3 -0.305 3.659 3.960 0.006 0.000 0.217 251 G C 1.410 176.338 174.900 0.047 0.000 1.158 251 G CA 0.804 45.947 45.100 0.072 0.000 0.771 251 G HN 0.454 nan 8.290 nan 0.000 0.545 252 N N 0.444 119.173 118.700 0.048 0.000 2.309 252 N HA 0.013 4.757 4.740 0.006 0.000 0.182 252 N C 2.137 177.654 175.510 0.011 0.000 1.018 252 N CA 0.419 53.491 53.050 0.036 0.000 0.876 252 N CB -0.154 38.365 38.487 0.053 0.000 0.972 252 N HN 0.366 nan 8.380 nan 0.000 0.434 253 I N -0.117 120.462 120.570 0.015 0.000 2.142 253 I HA -0.219 3.955 4.170 0.006 0.000 0.240 253 I C 1.918 177.986 176.117 -0.081 0.000 1.078 253 I CA 0.841 62.122 61.300 -0.032 0.000 1.343 253 I CB -0.146 37.858 38.000 0.006 0.000 1.046 253 I HN -0.072 nan 8.210 nan 0.000 0.405 254 V N 0.614 120.535 119.914 0.012 0.000 2.307 254 V HA -0.263 3.861 4.120 0.006 0.000 0.245 254 V C 2.581 178.716 176.094 0.069 0.000 1.045 254 V CA 1.888 64.245 62.300 0.094 0.000 1.024 254 V CB -0.763 31.187 31.823 0.212 0.000 0.651 254 V HN 0.393 nan 8.190 nan 0.000 0.449 255 R N 0.033 120.553 120.500 0.033 0.000 2.103 255 R HA -0.205 4.139 4.340 0.006 0.000 0.242 255 R C 2.263 178.548 176.300 -0.025 0.000 1.142 255 R CA 2.366 58.476 56.100 0.016 0.000 0.960 255 R CB -0.502 29.803 30.300 0.008 0.000 0.858 255 R HN 0.551 nan 8.270 nan 0.000 0.439 256 T N 1.001 115.498 114.554 -0.096 0.000 2.812 256 T HA -0.026 4.328 4.350 0.006 0.000 0.264 256 T C 1.762 176.255 174.700 -0.344 0.000 1.042 256 T CA 1.148 63.112 62.100 -0.227 0.000 1.140 256 T CB -0.076 68.564 68.868 -0.381 0.000 0.870 256 T HN 0.159 nan 8.240 nan 0.000 0.445 257 L N 1.009 122.000 121.223 -0.387 0.000 2.042 257 L HA -0.142 4.201 4.340 0.006 0.000 0.210 257 L C 2.511 179.295 176.870 -0.144 0.000 1.076 257 L CA 1.559 56.104 54.840 -0.492 0.000 0.749 257 L CB -0.563 40.816 42.059 -1.132 0.000 0.893 257 L HN 0.287 nan 8.230 nan 0.000 0.432 258 D N 0.046 120.494 120.400 0.079 0.000 2.182 258 D HA -0.216 4.428 4.640 0.006 0.000 0.201 258 D C 1.939 178.257 176.300 0.030 0.000 0.986 258 D CA 1.189 55.311 54.000 0.202 0.000 0.847 258 D CB 0.172 41.067 40.800 0.159 0.000 0.942 258 D HN 0.342 nan 8.370 nan 0.000 0.467 259 E N -1.387 118.750 120.200 -0.105 0.000 2.371 259 E HA -0.035 4.319 4.350 0.006 0.000 0.194 259 E C 0.209 176.438 176.600 -0.617 0.000 1.012 259 E CA 0.538 56.749 56.400 -0.315 0.000 0.860 259 E CB 0.248 29.744 29.700 -0.342 0.000 0.811 259 E HN 0.518 nan 8.360 nan 0.000 0.502 260 H N -0.195 118.842 119.070 -0.055 0.000 2.439 260 H HA 0.129 4.734 4.556 0.082 0.000 0.230 260 H C -1.989 173.399 175.328 0.100 0.000 1.420 260 H CA -1.382 54.691 56.048 0.042 0.000 1.305 260 H CB 0.751 30.557 29.762 0.073 0.000 1.667 260 H HN 0.126 nan 8.280 nan 0.000 0.515 261 P HA -0.025 nan 4.420 nan 0.000 0.233 261 P C 1.512 178.964 177.300 0.253 0.000 1.167 261 P CA 0.546 63.817 63.100 0.285 0.000 0.770 261 P CB 0.266 32.159 31.700 0.323 0.000 0.837 262 A N 0.224 123.121 122.820 0.128 0.000 2.032 262 A HA -0.217 4.107 4.320 0.006 0.000 0.221 262 A C 2.020 179.586 177.584 -0.030 0.000 1.165 262 A CA 1.287 53.338 52.037 0.023 0.000 0.645 262 A CB -1.642 17.311 19.000 -0.079 0.000 0.807 262 A HN 0.265 nan 8.150 nan 0.000 0.453 263 H N -2.955 116.174 119.070 0.098 0.000 2.546 263 H HA -0.086 4.455 4.556 -0.026 0.000 0.277 263 H C 1.667 177.022 175.328 0.044 0.000 1.004 263 H CA 0.778 56.853 56.048 0.046 0.000 1.231 263 H CB -0.101 29.685 29.762 0.041 0.000 1.382 263 H HN 0.816 nan 8.280 nan 0.000 0.580 264 W N 1.660 123.058 121.300 0.163 0.000 2.407 264 W HA -0.119 4.510 4.660 -0.052 0.000 0.305 264 W C 2.024 178.599 176.519 0.094 0.000 1.196 264 W CA 0.739 58.157 57.345 0.122 0.000 1.311 264 W CB 0.170 29.685 29.460 0.090 0.000 1.135 264 W HN 0.173 nan 8.180 nan 0.000 0.514 265 D N 0.013 120.598 120.400 0.307 0.000 2.149 265 D HA -0.118 4.526 4.640 0.006 0.000 0.201 265 D C 2.168 178.548 176.300 0.134 0.000 0.972 265 D CA 1.462 55.572 54.000 0.184 0.000 0.835 265 D CB -1.153 39.720 40.800 0.123 0.000 0.966 265 D HN 0.158 nan 8.370 nan 0.000 0.476 266 A N 1.623 124.507 122.820 0.107 0.000 1.908 266 A HA -0.068 4.255 4.320 0.006 0.000 0.218 266 A C 2.415 180.065 177.584 0.110 0.000 1.181 266 A CA 2.376 54.462 52.037 0.082 0.000 0.627 266 A CB -0.744 18.285 19.000 0.050 0.000 0.818 266 A HN 0.283 nan 8.150 nan 0.000 0.445 267 A N -0.401 122.506 122.820 0.146 0.000 1.930 267 A HA 0.242 4.566 4.320 0.006 0.000 0.217 267 A C 2.478 180.148 177.584 0.143 0.000 1.175 267 A CA 1.840 53.961 52.037 0.140 0.000 0.627 267 A CB -0.913 18.176 19.000 0.148 0.000 0.815 267 A HN 1.037 nan 8.150 nan 0.000 0.443 268 A N -0.687 122.234 122.820 0.169 0.000 1.933 268 A HA -0.155 4.169 4.320 0.006 0.000 0.218 268 A C 2.060 179.703 177.584 0.098 0.000 1.175 268 A CA 1.669 53.790 52.037 0.140 0.000 0.628 268 A CB -0.395 18.693 19.000 0.147 0.000 0.814 268 A HN 0.482 nan 8.150 nan 0.000 0.444 269 E N -0.279 119.974 120.200 0.089 0.000 2.107 269 E HA -0.142 4.212 4.350 0.006 0.000 0.191 269 E C -0.421 176.214 176.600 0.059 0.000 0.982 269 E CA 1.117 57.556 56.400 0.065 0.000 0.809 269 E CB 0.031 29.765 29.700 0.058 0.000 0.756 269 E HN 0.498 nan 8.360 nan 0.000 0.459 270 D N -0.927 119.512 120.400 0.065 0.000 2.363 270 D HA 0.162 4.806 4.640 0.006 0.000 0.258 270 D C -2.228 174.111 176.300 0.065 0.000 1.259 270 D CA -2.108 51.926 54.000 0.057 0.000 0.921 270 D CB 1.369 42.197 40.800 0.048 0.000 1.201 270 D HN -0.196 nan 8.370 nan 0.000 0.524 271 P HA 0.013 nan 4.420 nan 0.000 0.221 271 P C 1.450 178.786 177.300 0.060 0.000 1.145 271 P CA 0.715 63.858 63.100 0.071 0.000 0.795 271 P CB 0.276 32.017 31.700 0.068 0.000 0.775 272 G N -0.149 108.681 108.800 0.050 0.000 2.586 272 G HA2 -0.230 3.734 3.960 0.006 0.000 0.215 272 G HA3 -0.230 3.734 3.960 0.006 0.000 0.215 272 G C 1.531 176.455 174.900 0.040 0.000 1.128 272 G CA 0.153 45.279 45.100 0.043 0.000 0.774 272 G HN 0.287 nan 8.290 nan 0.000 0.543 273 R N -0.508 120.019 120.500 0.045 0.000 2.236 273 R HA 0.208 4.552 4.340 0.006 0.000 0.208 273 R C 2.233 178.553 176.300 0.033 0.000 1.036 273 R CA 0.098 56.221 56.100 0.039 0.000 1.001 273 R CB -0.151 30.183 30.300 0.055 0.000 0.896 273 R HN 0.393 nan 8.270 nan 0.000 0.464 274 I N 1.235 121.833 120.570 0.046 0.000 2.179 274 I HA -0.198 3.976 4.170 0.006 0.000 0.242 274 I C -0.846 175.295 176.117 0.041 0.000 1.088 274 I CA 1.299 62.627 61.300 0.047 0.000 1.357 274 I CB -0.983 37.057 38.000 0.065 0.000 1.051 274 I HN 0.041 nan 8.210 nan 0.000 0.409 275 P HA -0.180 nan 4.420 nan 0.000 0.216 275 P C 1.470 178.793 177.300 0.038 0.000 1.150 275 P CA 1.779 64.912 63.100 0.054 0.000 0.837 275 P CB -0.023 31.712 31.700 0.057 0.000 0.786 276 A N -0.671 122.157 122.820 0.012 0.000 1.902 276 A HA -0.183 4.141 4.320 0.006 0.000 0.217 276 A C 2.194 179.736 177.584 -0.070 0.000 1.181 276 A CA 1.438 53.460 52.037 -0.026 0.000 0.623 276 A CB -1.634 17.342 19.000 -0.040 0.000 0.818 276 A HN 0.108 nan 8.150 nan 0.000 0.443 277 I N -0.372 120.162 120.570 -0.060 0.000 2.163 277 I HA -0.247 3.927 4.170 0.006 0.000 0.243 277 I C 2.358 178.484 176.117 0.014 0.000 1.085 277 I CA 1.301 62.567 61.300 -0.056 0.000 1.347 277 I CB -0.396 37.590 38.000 -0.023 0.000 1.044 277 I HN 0.162 nan 8.210 nan 0.000 0.408 278 V N 0.488 120.421 119.914 0.032 0.000 2.287 278 V HA -0.263 3.861 4.120 0.006 0.000 0.248 278 V C 2.530 178.655 176.094 0.052 0.000 1.053 278 V CA 1.785 64.120 62.300 0.057 0.000 1.027 278 V CB -0.652 31.221 31.823 0.084 0.000 0.646 278 V HN 0.396 nan 8.190 nan 0.000 0.447 279 E N -0.060 120.166 120.200 0.044 0.000 2.077 279 E HA -0.239 4.115 4.350 0.006 0.000 0.193 279 E C 2.217 178.814 176.600 -0.005 0.000 0.989 279 E CA 1.549 57.972 56.400 0.039 0.000 0.800 279 E CB -0.233 29.495 29.700 0.047 0.000 0.746 279 E HN 0.707 nan 8.360 nan 0.000 0.452 280 E N 0.430 120.601 120.200 -0.048 0.000 2.107 280 E HA -0.079 4.275 4.350 0.006 0.000 0.191 280 E C 2.015 178.675 176.600 0.099 0.000 0.982 280 E CA 0.617 56.957 56.400 -0.101 0.000 0.809 280 E CB -0.038 29.419 29.700 -0.406 0.000 0.756 280 E HN 0.005 nan 8.360 nan 0.000 0.459 281 V N 0.728 120.755 119.914 0.188 0.000 2.358 281 V HA -0.228 3.896 4.120 0.006 0.000 0.246 281 V C 2.452 178.623 176.094 0.128 0.000 1.047 281 V CA 1.555 63.989 62.300 0.222 0.000 1.035 281 V CB -0.525 31.371 31.823 0.121 0.000 0.658 281 V HN 0.294 nan 8.190 nan 0.000 0.452 282 L N -0.241 121.002 121.223 0.034 0.000 2.021 282 L HA -0.276 4.068 4.340 0.006 0.000 0.215 282 L C 2.780 179.637 176.870 -0.023 0.000 1.074 282 L CA 2.243 57.048 54.840 -0.058 0.000 0.760 282 L CB -0.563 41.386 42.059 -0.182 0.000 0.889 282 L HN 0.273 nan 8.230 nan 0.000 0.433 283 R N -1.331 119.174 120.500 0.008 0.000 2.075 283 R HA -0.221 4.123 4.340 0.006 0.000 0.232 283 R C 2.447 178.786 176.300 0.066 0.000 1.126 283 R CA 1.678 57.774 56.100 -0.007 0.000 0.963 283 R CB -0.361 29.881 30.300 -0.097 0.000 0.858 283 R HN 0.266 nan 8.270 nan 0.000 0.435 284 Y N 0.401 120.697 120.300 -0.007 0.000 2.184 284 Y HA 0.019 4.579 4.550 0.017 0.000 0.290 284 Y C 0.456 176.381 175.900 0.043 0.000 1.129 284 Y CA 1.401 59.524 58.100 0.039 0.000 1.144 284 Y CB 0.385 38.928 38.460 0.137 0.000 0.995 284 Y HN -0.112 nan 8.280 nan 0.000 0.513 285 R N 0.914 121.482 120.500 0.114 0.000 2.585 285 R HA 0.250 4.594 4.340 0.006 0.000 0.278 285 R C -2.787 173.536 176.300 0.039 0.000 1.663 285 R CA -2.053 54.070 56.100 0.038 0.000 1.592 285 R CB 0.840 31.184 30.300 0.073 0.000 1.200 285 R HN 0.041 nan 8.270 nan 0.000 0.611 286 P HA 0.047 nan 4.420 nan 0.000 0.263 286 P C -2.244 175.075 177.300 0.031 0.000 1.195 286 P CA -1.064 62.036 63.100 0.001 0.000 0.762 286 P CB 1.175 32.878 31.700 0.005 0.000 0.799 287 P HA -0.131 nan 4.420 nan 0.000 0.216 287 P C 0.222 177.596 177.300 0.124 0.000 1.153 287 P CA 1.480 64.610 63.100 0.050 0.000 0.858 287 P CB -0.024 31.685 31.700 0.015 0.000 0.789 288 F N 0.775 120.677 119.950 -0.080 0.000 2.311 288 F HA 0.344 4.874 4.527 0.005 0.000 0.371 288 F C -1.965 173.794 175.800 -0.068 0.000 1.083 288 F CA -3.338 54.608 58.000 -0.090 0.000 1.113 288 F CB 1.065 40.001 39.000 -0.106 0.000 1.349 288 F HN -0.085 nan 8.300 nan 0.000 0.470 289 P HA -0.042 nan 4.420 nan 0.000 0.236 289 P C -0.888 176.223 177.300 -0.315 0.000 1.177 289 P CA 0.751 63.784 63.100 -0.112 0.000 0.773 289 P CB 0.427 32.172 31.700 0.076 0.000 0.878 290 Q N -0.378 118.979 119.800 -0.738 0.000 2.418 290 Q HA 0.710 5.054 4.340 0.006 0.000 0.282 290 Q C -1.462 173.936 176.000 -1.003 0.000 1.044 290 Q CA -1.060 54.221 55.803 -0.871 0.000 0.813 290 Q CB 1.857 29.848 28.738 -1.246 0.000 1.428 290 Q HN -0.216 nan 8.270 nan 0.000 0.402 291 M N 0.529 119.740 119.600 -0.647 0.000 2.569 291 M HA 0.455 4.938 4.480 0.006 0.000 0.279 291 M C -1.405 174.730 176.300 -0.276 0.000 1.253 291 M CA -0.565 54.479 55.300 -0.426 0.000 0.867 291 M CB 2.524 35.027 32.600 -0.162 0.000 1.727 291 M HN 0.573 nan 8.290 nan 0.000 0.467 292 Q N 1.054 120.761 119.800 -0.154 0.000 2.266 292 Q HA 0.809 5.153 4.340 0.006 0.000 0.261 292 Q C -0.805 175.148 176.000 -0.078 0.000 0.985 292 Q CA -0.806 54.918 55.803 -0.130 0.000 0.873 292 Q CB 1.830 30.506 28.738 -0.104 0.000 1.306 292 Q HN 0.376 nan 8.270 nan 0.000 0.447 293 R N -0.017 120.452 120.500 -0.053 0.000 2.905 293 R HA 0.752 5.095 4.340 0.006 0.000 0.260 293 R C -0.869 175.456 176.300 0.042 0.000 1.086 293 R CA -0.735 55.371 56.100 0.009 0.000 0.978 293 R CB 1.492 31.831 30.300 0.065 0.000 1.215 293 R HN 0.867 nan 8.270 nan 0.000 0.480 294 T N -2.578 112.015 114.554 0.066 0.000 2.916 294 T HA 0.383 4.737 4.350 0.006 0.000 0.298 294 T C -0.095 174.624 174.700 0.032 0.000 1.031 294 T CA -0.814 61.315 62.100 0.048 0.000 0.993 294 T CB 1.565 70.437 68.868 0.007 0.000 1.045 294 T HN 0.560 nan 8.240 nan 0.000 0.454 295 T N 0.054 114.607 114.554 -0.002 0.000 2.884 295 T HA 0.346 4.700 4.350 0.006 0.000 0.298 295 T C 1.446 176.061 174.700 -0.142 0.000 0.998 295 T CA 0.025 62.041 62.100 -0.140 0.000 1.124 295 T CB 0.816 69.577 68.868 -0.178 0.000 0.931 295 T HN 0.911 nan 8.240 nan 0.000 0.531 296 T N -1.084 113.352 114.554 -0.197 0.000 3.060 296 T HA 0.237 4.590 4.350 0.006 0.000 0.249 296 T C 0.371 174.987 174.700 -0.139 0.000 1.079 296 T CA -0.288 61.727 62.100 -0.141 0.000 1.013 296 T CB -0.408 68.380 68.868 -0.132 0.000 0.975 296 T HN 0.975 nan 8.240 nan 0.000 0.518 297 K N -0.264 120.029 120.400 -0.179 0.000 2.607 297 K HA 0.696 5.019 4.320 0.006 0.000 0.287 297 K C -1.207 175.287 176.600 -0.175 0.000 0.996 297 K CA -1.131 55.064 56.287 -0.153 0.000 0.876 297 K CB 0.961 33.374 32.500 -0.146 0.000 1.496 297 K HN -0.036 nan 8.250 nan 0.000 0.415 298 A N 1.032 123.771 122.820 -0.134 0.000 2.567 298 A HA 0.336 4.659 4.320 0.006 0.000 0.240 298 A C 0.070 177.560 177.584 -0.157 0.000 1.053 298 A CA 1.130 53.087 52.037 -0.134 0.000 0.755 298 A CB -0.100 18.844 19.000 -0.093 0.000 0.978 298 A HN 0.702 nan 8.150 nan 0.000 0.507 299 T N 0.733 115.181 114.554 -0.176 0.000 2.647 299 T HA 0.610 4.964 4.350 0.006 0.000 0.295 299 T C -1.491 173.146 174.700 -0.106 0.000 1.126 299 T CA -0.474 61.533 62.100 -0.155 0.000 1.040 299 T CB 1.330 70.045 68.868 -0.256 0.000 1.472 299 T HN 0.799 nan 8.240 nan 0.000 0.500 300 E N 0.566 120.749 120.200 -0.029 0.000 2.308 300 E HA 0.625 4.979 4.350 0.006 0.000 0.275 300 E C -1.905 174.734 176.600 0.065 0.000 0.890 300 E CA -0.668 55.728 56.400 -0.006 0.000 0.754 300 E CB 2.081 31.780 29.700 -0.001 0.000 1.207 300 E HN 0.393 nan 8.360 nan 0.000 0.426 301 V N 2.915 122.858 119.914 0.048 0.000 2.444 301 V HA 0.529 4.652 4.120 0.006 0.000 0.294 301 V C 0.127 176.258 176.094 0.062 0.000 1.022 301 V CA -0.022 62.315 62.300 0.062 0.000 0.850 301 V CB 1.208 33.055 31.823 0.040 0.000 0.992 301 V HN 1.006 nan 8.190 nan 0.000 0.426 302 A N 4.144 126.997 122.820 0.056 0.000 2.640 302 A HA 0.027 4.351 4.320 0.006 0.000 0.300 302 A C 1.782 179.401 177.584 0.058 0.000 1.499 302 A CA 1.403 53.474 52.037 0.056 0.000 0.759 302 A CB -1.515 17.525 19.000 0.067 0.000 1.048 302 A HN 2.661 nan 8.150 nan 0.000 0.450 303 G N -3.326 105.502 108.800 0.047 0.000 2.189 303 G HA2 -0.080 3.884 3.960 0.006 0.000 0.267 303 G HA3 -0.080 3.884 3.960 0.006 0.000 0.267 303 G C 0.384 175.315 174.900 0.052 0.000 0.975 303 G CA 0.618 45.744 45.100 0.043 0.000 0.644 303 G HN 1.906 nan 8.290 nan 0.000 0.537 304 V N 3.207 123.159 119.914 0.064 0.000 2.364 304 V HA 0.440 4.564 4.120 0.006 0.000 0.272 304 V C -1.450 174.643 176.094 -0.003 0.000 1.036 304 V CA -1.532 60.818 62.300 0.083 0.000 0.880 304 V CB 1.514 33.441 31.823 0.172 0.000 0.991 304 V HN 0.216 nan 8.190 nan 0.000 0.460 305 P HA 0.313 nan 4.420 nan 0.000 0.276 305 P C -0.722 176.385 177.300 -0.322 0.000 1.243 305 P CA 0.146 63.186 63.100 -0.101 0.000 0.768 305 P CB 0.828 32.512 31.700 -0.027 0.000 0.856 306 I N 6.051 126.359 120.570 -0.436 0.000 2.406 306 I HA 0.330 4.504 4.170 0.006 0.000 0.290 306 I C -1.944 173.921 176.117 -0.420 0.000 0.999 306 I CA -2.943 57.883 61.300 -0.789 0.000 1.124 306 I CB 2.344 39.831 38.000 -0.855 0.000 1.289 306 I HN 0.141 nan 8.210 nan 0.000 0.441 307 P HA 0.159 nan 4.420 nan 0.000 0.274 307 P C -0.448 176.766 177.300 -0.143 0.000 1.256 307 P CA -0.371 62.643 63.100 -0.143 0.000 0.795 307 P CB 0.659 32.344 31.700 -0.025 0.000 1.038 308 A N 0.736 123.496 122.820 -0.100 0.000 2.507 308 A HA 0.089 4.412 4.320 0.006 0.000 0.235 308 A C 0.524 178.078 177.584 -0.051 0.000 1.070 308 A CA 0.350 52.333 52.037 -0.089 0.000 0.768 308 A CB -1.034 17.923 19.000 -0.073 0.000 1.011 308 A HN 0.728 nan 8.150 nan 0.000 0.502 309 D N -1.517 118.853 120.400 -0.050 0.000 2.746 309 D HA -0.144 4.500 4.640 0.006 0.000 0.236 309 D C -0.012 176.297 176.300 0.015 0.000 1.129 309 D CA 1.389 55.378 54.000 -0.019 0.000 0.691 309 D CB -2.272 38.520 40.800 -0.013 0.000 1.077 309 D HN 1.122 nan 8.370 nan 0.000 0.432 310 V N -3.652 116.277 119.914 0.024 0.000 3.046 310 V HA 0.692 4.816 4.120 0.006 0.000 0.316 310 V C 0.368 176.520 176.094 0.097 0.000 1.104 310 V CA -1.278 61.080 62.300 0.096 0.000 1.006 310 V CB 2.613 34.560 31.823 0.207 0.000 1.058 310 V HN 0.101 nan 8.190 nan 0.000 0.440 311 M N 2.363 122.038 119.600 0.124 0.000 2.216 311 M HA 0.643 5.127 4.480 0.006 0.000 0.356 311 M C -1.251 175.125 176.300 0.127 0.000 1.205 311 M CA -0.251 55.099 55.300 0.084 0.000 1.122 311 M CB 1.273 33.893 32.600 0.032 0.000 1.571 311 M HN 0.682 nan 8.290 nan 0.000 0.464 312 V N 5.326 125.280 119.914 0.066 0.000 2.495 312 V HA 0.377 4.501 4.120 0.006 0.000 0.298 312 V C -0.365 175.657 176.094 -0.121 0.000 1.031 312 V CA -0.864 61.456 62.300 0.033 0.000 0.871 312 V CB 1.774 33.627 31.823 0.051 0.000 0.988 312 V HN 0.875 nan 8.190 nan 0.000 0.432 313 N N 2.691 121.248 118.700 -0.237 0.000 2.476 313 N HA 0.281 5.025 4.740 0.006 0.000 0.257 313 N C -0.307 174.996 175.510 -0.345 0.000 0.970 313 N CA -0.344 52.473 53.050 -0.389 0.000 0.938 313 N CB 1.545 39.639 38.487 -0.654 0.000 1.144 313 N HN 0.816 nan 8.380 nan 0.000 0.500 314 T N 0.988 115.345 114.554 -0.327 0.000 2.749 314 T HA 0.256 4.609 4.350 0.006 0.000 0.295 314 T C -0.186 174.341 174.700 -0.287 0.000 0.936 314 T CA -0.567 61.386 62.100 -0.244 0.000 1.060 314 T CB 0.063 68.812 68.868 -0.198 0.000 0.904 314 T HN 0.365 nan 8.240 nan 0.000 0.500 315 W N 4.182 125.397 121.300 -0.141 0.000 2.247 315 W HA 0.403 5.065 4.660 0.005 0.000 0.394 315 W C 1.152 177.655 176.519 -0.028 0.000 0.939 315 W CA -0.896 56.421 57.345 -0.047 0.000 1.548 315 W CB 0.061 29.561 29.460 0.068 0.000 1.610 315 W HN 0.575 nan 8.180 nan 0.000 0.336 316 V N 2.999 122.955 119.914 0.070 0.000 2.324 316 V HA -0.352 3.771 4.120 0.006 0.000 0.250 316 V C 2.135 178.319 176.094 0.151 0.000 1.060 316 V CA 1.797 64.136 62.300 0.065 0.000 1.042 316 V CB -0.779 31.036 31.823 -0.013 0.000 0.650 316 V HN 0.574 nan 8.190 nan 0.000 0.450 317 L N 0.080 121.436 121.223 0.222 0.000 2.046 317 L HA -0.134 4.209 4.340 0.006 0.000 0.208 317 L C 2.589 179.585 176.870 0.210 0.000 1.077 317 L CA 2.481 57.453 54.840 0.219 0.000 0.747 317 L CB -0.746 41.491 42.059 0.297 0.000 0.896 317 L HN 0.324 nan 8.230 nan 0.000 0.432 318 S N -0.909 114.970 115.700 0.299 0.000 2.371 318 S HA -0.100 4.374 4.470 0.006 0.000 0.224 318 S C 2.179 176.900 174.600 0.200 0.000 1.029 318 S CA 1.025 59.353 58.200 0.213 0.000 0.978 318 S CB -0.451 62.916 63.200 0.279 0.000 0.833 318 S HN 0.649 nan 8.310 nan 0.000 0.466 319 A N 2.189 125.145 122.820 0.227 0.000 1.908 319 A HA -0.149 4.175 4.320 0.006 0.000 0.218 319 A C 1.935 179.735 177.584 0.361 0.000 1.181 319 A CA 2.019 54.209 52.037 0.255 0.000 0.627 319 A CB -1.003 18.075 19.000 0.131 0.000 0.818 319 A HN 0.625 nan 8.150 nan 0.000 0.445 320 N N -0.428 118.439 118.700 0.279 0.000 2.309 320 N HA -0.071 4.673 4.740 0.006 0.000 0.182 320 N C 1.100 176.718 175.510 0.180 0.000 1.018 320 N CA 0.778 53.972 53.050 0.240 0.000 0.876 320 N CB -0.174 38.373 38.487 0.101 0.000 0.972 320 N HN 0.308 nan 8.380 nan 0.000 0.434 321 R N 0.651 121.238 120.500 0.145 0.000 2.466 321 R HA 0.137 4.480 4.340 0.006 0.000 0.279 321 R C -0.435 175.926 176.300 0.102 0.000 0.976 321 R CA -0.229 55.928 56.100 0.095 0.000 1.081 321 R CB -0.440 29.878 30.300 0.029 0.000 1.215 321 R HN 0.127 nan 8.270 nan 0.000 0.546 322 D N 0.869 121.357 120.400 0.147 0.000 2.295 322 D HA 0.015 4.659 4.640 0.006 0.000 0.248 322 D C 1.032 177.361 176.300 0.049 0.000 1.154 322 D CA 0.006 54.059 54.000 0.088 0.000 0.857 322 D CB 1.266 42.138 40.800 0.120 0.000 1.117 322 D HN 0.058 nan 8.370 nan 0.000 0.468 323 S N 2.545 118.258 115.700 0.022 0.000 2.474 323 S HA -0.145 4.329 4.470 0.006 0.000 0.235 323 S C 1.160 175.741 174.600 -0.031 0.000 0.997 323 S CA 0.412 58.616 58.200 0.007 0.000 0.949 323 S CB 0.090 63.292 63.200 0.003 0.000 0.766 323 S HN 0.419 nan 8.310 nan 0.000 0.517 324 D N 2.073 122.448 120.400 -0.042 0.000 2.264 324 D HA 0.157 4.800 4.640 0.006 0.000 0.208 324 D C 1.909 178.118 176.300 -0.152 0.000 0.966 324 D CA 1.227 55.188 54.000 -0.066 0.000 0.864 324 D CB -0.224 40.555 40.800 -0.035 0.000 0.933 324 D HN 0.603 nan 8.370 nan 0.000 0.499 325 A N -0.605 122.066 122.820 -0.248 0.000 1.993 325 A HA 0.049 4.372 4.320 0.006 0.000 0.207 325 A C 0.485 177.662 177.584 -0.679 0.000 1.224 325 A CA 0.364 52.044 52.037 -0.594 0.000 0.749 325 A CB 0.238 18.608 19.000 -1.049 0.000 0.884 325 A HN 0.144 nan 8.150 nan 0.000 0.467 326 H N 1.019 120.013 119.070 -0.127 0.000 2.823 326 H HA 0.258 4.820 4.556 0.010 0.000 0.332 326 H C -1.454 173.847 175.328 -0.044 0.000 0.980 326 H CA -1.144 54.858 56.048 -0.077 0.000 1.286 326 H CB 0.974 30.707 29.762 -0.049 0.000 1.541 326 H HN 0.244 nan 8.280 nan 0.000 0.521 327 D N 1.900 122.335 120.400 0.057 0.000 2.443 327 D HA -0.063 4.580 4.640 0.006 0.000 0.239 327 D C 0.603 176.928 176.300 0.042 0.000 1.136 327 D CA 0.597 54.614 54.000 0.030 0.000 0.879 327 D CB 0.525 41.332 40.800 0.011 0.000 1.195 327 D HN 0.568 nan 8.370 nan 0.000 0.443 328 D N 1.454 121.874 120.400 0.033 0.000 2.740 328 D HA -0.152 4.492 4.640 0.006 0.000 0.231 328 D C -1.456 174.879 176.300 0.058 0.000 1.194 328 D CA -0.104 53.919 54.000 0.038 0.000 0.673 328 D CB -0.018 40.798 40.800 0.027 0.000 0.995 328 D HN 0.266 nan 8.370 nan 0.000 0.411 329 P HA -0.105 nan 4.420 nan 0.000 0.222 329 P C 0.595 177.969 177.300 0.124 0.000 1.147 329 P CA 0.881 64.039 63.100 0.097 0.000 0.790 329 P CB 0.293 32.053 31.700 0.101 0.000 0.780 330 D N -0.983 119.496 120.400 0.132 0.000 2.340 330 D HA 0.034 4.677 4.640 0.006 0.000 0.217 330 D C 0.835 177.315 176.300 0.301 0.000 1.081 330 D CA 0.032 54.163 54.000 0.218 0.000 0.842 330 D CB 0.154 41.031 40.800 0.128 0.000 0.934 330 D HN 0.201 nan 8.370 nan 0.000 0.511 331 R N 1.011 121.610 120.500 0.164 0.000 2.234 331 R HA 0.131 4.475 4.340 0.006 0.000 0.324 331 R C -0.584 175.674 176.300 -0.070 0.000 1.054 331 R CA -0.571 55.572 56.100 0.072 0.000 0.912 331 R CB 0.276 30.594 30.300 0.029 0.000 1.030 331 R HN -0.215 nan 8.270 nan 0.000 0.455 332 F N 4.779 124.424 119.950 -0.508 0.000 2.502 332 F HA 0.145 4.677 4.527 0.009 0.000 0.371 332 F C -0.581 174.929 175.800 -0.484 0.000 1.083 332 F CA 0.044 57.535 58.000 -0.848 0.000 1.174 332 F CB 0.599 38.677 39.000 -1.538 0.000 1.096 332 F HN 0.504 nan 8.300 nan 0.000 0.545 333 D N 8.499 128.328 120.400 -0.952 0.000 2.328 333 D HA 0.295 4.939 4.640 0.006 0.000 0.243 333 D C -2.314 173.604 176.300 -0.638 0.000 1.324 333 D CA -1.924 51.701 54.000 -0.624 0.000 0.966 333 D CB 1.652 42.280 40.800 -0.287 0.000 1.324 333 D HN 0.171 nan 8.370 nan 0.000 0.549 334 P HA -0.050 nan 4.420 nan 0.000 0.223 334 P C 0.954 178.110 177.300 -0.240 0.000 1.144 334 P CA 0.700 63.507 63.100 -0.488 0.000 0.783 334 P CB 0.388 31.817 31.700 -0.451 0.000 0.771 335 S N -1.230 114.363 115.700 -0.179 0.000 2.561 335 S HA 0.035 4.509 4.470 0.006 0.000 0.225 335 S C 0.871 175.424 174.600 -0.079 0.000 0.977 335 S CA 0.125 58.269 58.200 -0.093 0.000 0.926 335 S CB -0.504 62.662 63.200 -0.057 0.000 0.769 335 S HN 0.215 nan 8.310 nan 0.000 0.533 336 R N 1.694 122.130 120.500 -0.107 0.000 2.697 336 R HA 0.040 4.384 4.340 0.006 0.000 0.265 336 R C 0.718 177.001 176.300 -0.028 0.000 1.009 336 R CA 0.200 56.264 56.100 -0.060 0.000 1.099 336 R CB 0.247 30.502 30.300 -0.076 0.000 0.965 336 R HN -0.006 nan 8.270 nan 0.000 0.428 337 K N 0.832 121.235 120.400 0.005 0.000 2.444 337 K HA 0.060 4.383 4.320 0.006 0.000 0.193 337 K C 0.101 176.724 176.600 0.039 0.000 1.024 337 K CA 0.387 56.684 56.287 0.016 0.000 1.077 337 K CB 0.331 32.841 32.500 0.017 0.000 0.833 337 K HN 0.454 nan 8.250 nan 0.000 0.517 338 S N 0.179 115.912 115.700 0.055 0.000 2.586 338 S HA 0.716 5.190 4.470 0.006 0.000 0.274 338 S C 0.642 175.296 174.600 0.090 0.000 1.281 338 S CA -0.262 57.995 58.200 0.096 0.000 1.035 338 S CB 1.901 65.198 63.200 0.161 0.000 0.962 338 S HN 0.403 nan 8.310 nan 0.000 0.512 339 G N -0.294 108.583 108.800 0.128 0.000 2.351 339 G HA2 0.548 4.512 3.960 0.006 0.000 0.279 339 G HA3 0.548 4.512 3.960 0.006 0.000 0.279 339 G C 0.103 175.108 174.900 0.176 0.000 1.297 339 G CA 0.155 45.346 45.100 0.152 0.000 0.886 339 G HN 1.576 nan 8.290 nan 0.000 0.493 340 G N -0.165 108.744 108.800 0.183 0.000 2.627 340 G HA2 0.122 4.086 3.960 0.006 0.000 0.312 340 G HA3 0.122 4.086 3.960 0.006 0.000 0.312 340 G C 1.703 176.705 174.900 0.170 0.000 1.299 340 G CA 2.598 47.788 45.100 0.150 0.000 0.989 340 G HN 2.346 nan 8.290 nan 0.000 0.547 341 A N -0.499 122.294 122.820 -0.045 0.000 2.121 341 A HA 0.401 4.725 4.320 0.006 0.000 0.218 341 A C 2.680 180.259 177.584 -0.008 0.000 1.154 341 A CA 2.403 54.239 52.037 -0.336 0.000 0.679 341 A CB -0.624 18.151 19.000 -0.375 0.000 0.795 341 A HN 2.181 nan 8.150 nan 0.000 0.458 342 A N -1.075 121.829 122.820 0.141 0.000 2.259 342 A HA 0.189 4.513 4.320 0.006 0.000 0.208 342 A C 1.147 178.915 177.584 0.308 0.000 1.201 342 A CA 0.464 52.634 52.037 0.222 0.000 0.824 342 A CB -0.270 18.826 19.000 0.161 0.000 0.838 342 A HN 0.397 nan 8.150 nan 0.000 0.485 343 Q N 0.418 120.471 119.800 0.421 0.000 2.402 343 Q HA 0.314 4.658 4.340 0.006 0.000 0.238 343 Q C 0.585 176.819 176.000 0.389 0.000 1.126 343 Q CA -0.228 55.809 55.803 0.390 0.000 0.904 343 Q CB 0.297 29.312 28.738 0.462 0.000 1.357 343 Q HN 0.312 nan 8.270 nan 0.000 0.491 344 L N 2.503 123.881 121.223 0.259 0.000 2.265 344 L HA -0.062 4.282 4.340 0.006 0.000 0.215 344 L C 1.386 178.313 176.870 0.094 0.000 1.117 344 L CA 1.630 56.587 54.840 0.195 0.000 0.782 344 L CB -0.287 41.847 42.059 0.125 0.000 0.914 344 L HN 0.592 nan 8.230 nan 0.000 0.441 345 S N -1.044 114.647 115.700 -0.015 0.000 2.547 345 S HA -0.017 4.457 4.470 0.006 0.000 0.235 345 S C 1.330 175.769 174.600 -0.267 0.000 0.980 345 S CA 0.737 58.846 58.200 -0.152 0.000 0.941 345 S CB -0.447 62.606 63.200 -0.245 0.000 0.763 345 S HN 0.493 nan 8.310 nan 0.000 0.532 346 F N 1.284 121.174 119.950 -0.100 0.000 2.664 346 F HA 0.355 4.888 4.527 0.009 0.000 0.303 346 F C 1.595 177.136 175.800 -0.432 0.000 1.092 346 F CA -0.035 57.723 58.000 -0.404 0.000 1.305 346 F CB 0.272 38.758 39.000 -0.858 0.000 1.054 346 F HN 0.324 nan 8.300 nan 0.000 0.565 347 G N 0.521 109.358 108.800 0.061 0.000 2.587 347 G HA2 -0.162 3.802 3.960 0.006 0.000 0.212 347 G HA3 -0.162 3.802 3.960 0.006 0.000 0.212 347 G C -1.533 173.632 174.900 0.442 0.000 1.327 347 G CA -0.697 44.508 45.100 0.175 0.000 0.898 347 G HN 0.455 nan 8.290 nan 0.000 0.551 348 H N -0.641 118.613 119.070 0.307 0.000 3.154 348 H HA 0.663 5.223 4.556 0.007 0.000 0.330 348 H C 0.536 175.991 175.328 0.210 0.000 1.033 348 H CA 1.957 58.182 56.048 0.295 0.000 1.393 348 H CB 0.910 30.758 29.762 0.143 0.000 1.951 348 H HN 2.593 nan 8.280 nan 0.000 0.466 349 G N 1.672 110.349 108.800 -0.205 0.000 2.513 349 G HA2 -0.228 3.736 3.960 0.006 0.000 0.227 349 G HA3 -0.228 3.736 3.960 0.006 0.000 0.227 349 G C 1.153 176.034 174.900 -0.033 0.000 1.176 349 G CA 0.435 45.407 45.100 -0.213 0.000 0.967 349 G HN 1.469 nan 8.290 nan 0.000 0.587 350 V N -1.951 117.927 119.914 -0.060 0.000 2.515 350 V HA 0.031 4.155 4.120 0.006 0.000 0.250 350 V C 1.930 177.925 176.094 -0.166 0.000 1.058 350 V CA 2.708 64.929 62.300 -0.131 0.000 1.064 350 V CB -0.723 30.936 31.823 -0.274 0.000 0.675 350 V HN 0.750 nan 8.190 nan 0.000 0.461 351 H N -0.829 118.229 119.070 -0.020 0.000 2.526 351 H HA 0.253 4.813 4.556 0.006 0.000 0.274 351 H C 0.519 175.924 175.328 0.129 0.000 0.999 351 H CA -0.445 55.624 56.048 0.034 0.000 1.157 351 H CB -0.136 29.612 29.762 -0.024 0.000 1.407 351 H HN 0.565 nan 8.280 nan 0.000 0.568 352 F N 2.178 122.190 119.950 0.103 0.000 2.579 352 F HA -0.130 4.400 4.527 0.006 0.000 0.397 352 F C 0.956 176.790 175.800 0.057 0.000 1.027 352 F CA -0.321 57.738 58.000 0.099 0.000 1.217 352 F CB 0.314 39.350 39.000 0.061 0.000 0.986 352 F HN 0.158 nan 8.300 nan 0.000 0.551 353 C N 9.029 128.065 119.300 -0.441 0.000 2.106 353 C HA -0.112 4.352 4.460 0.006 0.000 0.402 353 C C 1.797 176.628 174.990 -0.265 0.000 1.548 353 C CA -0.435 58.378 59.018 -0.342 0.000 1.432 353 C CB -1.737 25.754 27.740 -0.415 0.000 2.584 353 C HN 0.986 nan 8.230 nan 0.000 0.604 354 L N 6.163 127.242 121.223 -0.241 0.000 2.079 354 L HA 0.088 4.432 4.340 0.006 0.000 0.210 354 L C 2.392 178.942 176.870 -0.532 0.000 1.081 354 L CA 2.475 57.080 54.840 -0.392 0.000 0.752 354 L CB -0.970 40.722 42.059 -0.612 0.000 0.896 354 L HN 0.933 nan 8.230 nan 0.000 0.433 355 G N -2.306 106.199 108.800 -0.492 0.000 3.026 355 G HA2 0.112 4.075 3.960 0.006 0.000 0.208 355 G HA3 0.112 4.075 3.960 0.006 0.000 0.208 355 G C 1.558 176.306 174.900 -0.254 0.000 1.169 355 G CA 0.546 45.481 45.100 -0.275 0.000 0.788 355 G HN 0.544 nan 8.290 nan 0.000 0.533 356 A N 2.404 124.928 122.820 -0.494 0.000 1.892 356 A HA -0.054 4.270 4.320 0.006 0.000 0.218 356 A C 0.956 178.308 177.584 -0.386 0.000 1.188 356 A CA 1.908 53.399 52.037 -0.910 0.000 0.631 356 A CB -1.073 17.223 19.000 -1.174 0.000 0.822 356 A HN 0.382 nan 8.150 nan 0.000 0.447 357 P HA -0.139 nan 4.420 nan 0.000 0.216 357 P C 1.669 178.981 177.300 0.019 0.000 1.150 357 P CA 1.077 64.166 63.100 -0.019 0.000 0.837 357 P CB -0.172 31.548 31.700 0.033 0.000 0.786 358 L N 0.255 121.503 121.223 0.041 0.000 2.027 358 L HA -0.037 4.307 4.340 0.006 0.000 0.206 358 L C 2.517 179.428 176.870 0.067 0.000 1.074 358 L CA 2.097 56.980 54.840 0.072 0.000 0.745 358 L CB -1.633 40.506 42.059 0.133 0.000 0.898 358 L HN -0.093 nan 8.230 nan 0.000 0.433 359 A N -0.359 122.496 122.820 0.058 0.000 1.908 359 A HA -0.245 4.079 4.320 0.006 0.000 0.218 359 A C 2.422 180.102 177.584 0.160 0.000 1.181 359 A CA 1.995 54.110 52.037 0.129 0.000 0.627 359 A CB -0.568 18.570 19.000 0.229 0.000 0.818 359 A HN 0.524 nan 8.150 nan 0.000 0.445 360 R N -1.305 119.284 120.500 0.149 0.000 2.075 360 R HA -0.055 4.289 4.340 0.006 0.000 0.232 360 R C 2.134 178.502 176.300 0.113 0.000 1.126 360 R CA 1.312 57.510 56.100 0.163 0.000 0.963 360 R CB -0.489 29.903 30.300 0.154 0.000 0.858 360 R HN 0.499 nan 8.270 nan 0.000 0.435 361 L N 1.558 122.833 121.223 0.086 0.000 2.027 361 L HA -0.129 4.215 4.340 0.006 0.000 0.206 361 L C 1.790 178.704 176.870 0.074 0.000 1.074 361 L CA 1.830 56.713 54.840 0.072 0.000 0.745 361 L CB -0.358 41.735 42.059 0.056 0.000 0.898 361 L HN 0.109 nan 8.230 nan 0.000 0.433 362 E N -0.388 119.858 120.200 0.076 0.000 2.058 362 E HA -0.231 4.123 4.350 0.006 0.000 0.194 362 E C 1.934 178.587 176.600 0.087 0.000 0.997 362 E CA 1.466 57.910 56.400 0.073 0.000 0.801 362 E CB -0.264 29.478 29.700 0.070 0.000 0.746 362 E HN 0.612 nan 8.360 nan 0.000 0.450 363 N N 0.664 119.424 118.700 0.100 0.000 2.188 363 N HA -0.149 4.595 4.740 0.006 0.000 0.184 363 N C 1.925 177.495 175.510 0.100 0.000 1.018 363 N CA 0.629 53.742 53.050 0.104 0.000 0.858 363 N CB -0.130 38.423 38.487 0.111 0.000 0.989 363 N HN 0.131 nan 8.380 nan 0.000 0.426 364 R N 1.351 121.908 120.500 0.094 0.000 2.070 364 R HA -0.075 4.269 4.340 0.006 0.000 0.233 364 R C 2.040 178.392 176.300 0.088 0.000 1.137 364 R CA 1.249 57.401 56.100 0.087 0.000 0.945 364 R CB -0.269 30.078 30.300 0.078 0.000 0.845 364 R HN -0.074 nan 8.270 nan 0.000 0.430 365 V N 1.279 121.242 119.914 0.081 0.000 2.343 365 V HA -0.217 3.907 4.120 0.006 0.000 0.247 365 V C 2.545 178.695 176.094 0.094 0.000 1.051 365 V CA 1.882 64.228 62.300 0.077 0.000 1.036 365 V CB -0.812 31.049 31.823 0.062 0.000 0.654 365 V HN 0.589 nan 8.190 nan 0.000 0.451 366 A N -0.134 122.749 122.820 0.104 0.000 1.877 366 A HA -0.207 4.117 4.320 0.006 0.000 0.216 366 A C 2.172 179.854 177.584 0.165 0.000 1.186 366 A CA 2.151 54.266 52.037 0.131 0.000 0.620 366 A CB -0.588 18.492 19.000 0.133 0.000 0.822 366 A HN 0.444 nan 8.150 nan 0.000 0.443 367 L N 0.142 121.458 121.223 0.155 0.000 2.056 367 L HA -0.118 4.226 4.340 0.006 0.000 0.207 367 L C 2.179 179.166 176.870 0.194 0.000 1.078 367 L CA 2.291 57.242 54.840 0.186 0.000 0.749 367 L CB -0.719 41.419 42.059 0.131 0.000 0.901 367 L HN 0.531 nan 8.230 nan 0.000 0.433 368 E N -0.662 119.624 120.200 0.143 0.000 2.085 368 E HA -0.226 4.128 4.350 0.006 0.000 0.194 368 E C 1.965 178.639 176.600 0.124 0.000 0.994 368 E CA 1.409 57.884 56.400 0.125 0.000 0.801 368 E CB -0.097 29.658 29.700 0.090 0.000 0.743 368 E HN 0.522 nan 8.360 nan 0.000 0.453 369 E N 0.465 120.736 120.200 0.118 0.000 2.152 369 E HA -0.099 4.254 4.350 0.006 0.000 0.192 369 E C 2.194 178.867 176.600 0.121 0.000 0.983 369 E CA 0.485 56.938 56.400 0.089 0.000 0.818 369 E CB -0.073 29.673 29.700 0.076 0.000 0.758 369 E HN 0.352 nan 8.360 nan 0.000 0.467 370 I N 0.981 121.692 120.570 0.236 0.000 2.127 370 I HA -0.281 3.893 4.170 0.006 0.000 0.241 370 I C 2.426 178.748 176.117 0.342 0.000 1.075 370 I CA 1.138 62.677 61.300 0.399 0.000 1.334 370 I CB -0.227 38.050 38.000 0.462 0.000 1.040 370 I HN 0.036 nan 8.210 nan 0.000 0.405 371 I N 0.467 121.214 120.570 0.295 0.000 2.252 371 I HA -0.254 3.920 4.170 0.006 0.000 0.245 371 I C 2.804 178.997 176.117 0.127 0.000 1.102 371 I CA 1.120 62.568 61.300 0.247 0.000 1.385 371 I CB -0.503 37.668 38.000 0.286 0.000 1.064 371 I HN 0.182 nan 8.210 nan 0.000 0.414 372 A N 1.005 123.875 122.820 0.083 0.000 1.892 372 A HA -0.292 4.032 4.320 0.006 0.000 0.218 372 A C 2.456 180.000 177.584 -0.066 0.000 1.188 372 A CA 2.286 54.332 52.037 0.014 0.000 0.631 372 A CB -0.678 18.325 19.000 0.005 0.000 0.822 372 A HN 0.398 nan 8.150 nan 0.000 0.447 373 R N -2.257 118.139 120.500 -0.174 0.000 2.062 373 R HA 0.021 4.365 4.340 0.006 0.000 0.226 373 R C 1.382 177.433 176.300 -0.414 0.000 1.125 373 R CA 1.621 57.465 56.100 -0.426 0.000 0.966 373 R CB -0.168 29.635 30.300 -0.829 0.000 0.861 373 R HN 0.474 nan 8.270 nan 0.000 0.433 374 F N -1.086 118.876 119.950 0.021 0.000 2.717 374 F HA 0.400 4.931 4.527 0.008 0.000 0.297 374 F C 1.724 177.484 175.800 -0.067 0.000 1.113 374 F CA 0.510 58.500 58.000 -0.016 0.000 1.319 374 F CB 0.711 39.700 39.000 -0.018 0.000 1.097 374 F HN 0.358 nan 8.300 nan 0.000 0.595 375 G N 1.343 110.210 108.800 0.111 0.000 3.444 375 G HA2 -0.336 3.628 3.960 0.006 0.000 0.222 375 G HA3 -0.336 3.628 3.960 0.006 0.000 0.222 375 G C 0.534 175.388 174.900 -0.077 0.000 1.358 375 G CA 0.419 45.547 45.100 0.047 0.000 0.880 375 G HN 0.565 nan 8.290 nan 0.000 0.555 376 R N -0.933 119.373 120.500 -0.323 0.000 2.734 376 R HA 0.779 5.123 4.340 0.006 0.000 0.271 376 R C -1.288 174.483 176.300 -0.882 0.000 1.021 376 R CA -1.153 54.276 56.100 -1.117 0.000 0.893 376 R CB 0.922 30.380 30.300 -1.404 0.000 1.244 376 R HN 0.386 nan 8.270 nan 0.000 0.464 377 L N 0.845 121.372 121.223 -1.160 0.000 2.334 377 L HA 0.529 4.873 4.340 0.006 0.000 0.276 377 L C -0.153 176.480 176.870 -0.396 0.000 1.014 377 L CA -0.973 53.515 54.840 -0.587 0.000 0.815 377 L CB 2.249 44.077 42.059 -0.385 0.000 1.268 377 L HN 0.743 nan 8.230 nan 0.000 0.428 378 T N 1.970 116.355 114.554 -0.282 0.000 2.795 378 T HA 0.469 4.822 4.350 0.006 0.000 0.282 378 T C -0.314 174.309 174.700 -0.127 0.000 0.980 378 T CA -0.426 61.587 62.100 -0.145 0.000 1.012 378 T CB 1.023 69.811 68.868 -0.133 0.000 0.936 378 T HN 0.223 nan 8.240 nan 0.000 0.457 379 V N 5.251 125.132 119.914 -0.054 0.000 2.614 379 V HA 0.198 4.322 4.120 0.006 0.000 0.291 379 V C 0.644 176.696 176.094 -0.070 0.000 1.049 379 V CA -0.424 61.837 62.300 -0.065 0.000 1.038 379 V CB 1.230 33.043 31.823 -0.017 0.000 0.980 379 V HN 0.853 nan 8.190 nan 0.000 0.481 380 D N 4.309 124.657 120.400 -0.086 0.000 2.468 380 D HA 0.194 4.837 4.640 0.006 0.000 0.218 380 D C 1.233 177.507 176.300 -0.043 0.000 1.155 380 D CA -0.253 53.707 54.000 -0.067 0.000 0.924 380 D CB 0.497 41.249 40.800 -0.079 0.000 1.029 380 D HN 0.424 nan 8.370 nan 0.000 0.515 381 R N 1.698 122.181 120.500 -0.027 0.000 2.237 381 R HA -0.031 4.312 4.340 0.006 0.000 0.219 381 R C 0.209 176.504 176.300 -0.008 0.000 1.080 381 R CA 0.740 56.834 56.100 -0.010 0.000 0.995 381 R CB 0.417 30.716 30.300 -0.003 0.000 0.875 381 R HN 0.374 nan 8.270 nan 0.000 0.462 382 D N 0.336 120.726 120.400 -0.017 0.000 2.363 382 D HA -0.015 4.629 4.640 0.006 0.000 0.214 382 D C -0.076 176.212 176.300 -0.020 0.000 1.093 382 D CA 0.204 54.195 54.000 -0.016 0.000 0.837 382 D CB 0.149 40.939 40.800 -0.017 0.000 0.948 382 D HN 0.100 nan 8.370 nan 0.000 0.507 383 D N 1.627 122.011 120.400 -0.025 0.000 2.308 383 D HA -0.015 4.629 4.640 0.006 0.000 0.251 383 D C 0.971 177.256 176.300 -0.025 0.000 1.127 383 D CA -0.036 53.945 54.000 -0.031 0.000 0.876 383 D CB 1.371 42.145 40.800 -0.044 0.000 1.176 383 D HN -0.170 nan 8.370 nan 0.000 0.446 384 E N 3.148 123.331 120.200 -0.028 0.000 2.478 384 E HA -0.080 4.274 4.350 0.006 0.000 0.198 384 E C 1.404 177.990 176.600 -0.024 0.000 1.046 384 E CA 0.340 56.727 56.400 -0.022 0.000 0.870 384 E CB 0.130 29.816 29.700 -0.023 0.000 0.818 384 E HN 0.484 nan 8.360 nan 0.000 0.527 385 R N 0.178 120.656 120.500 -0.038 0.000 2.275 385 R HA 0.143 4.487 4.340 0.006 0.000 0.199 385 R C 1.116 177.428 176.300 0.019 0.000 0.989 385 R CA -0.009 56.065 56.100 -0.043 0.000 1.016 385 R CB 0.080 30.305 30.300 -0.125 0.000 0.918 385 R HN 0.032 nan 8.270 nan 0.000 0.473 386 L N 2.425 123.653 121.223 0.007 0.000 2.433 386 L HA 0.157 4.500 4.340 0.006 0.000 0.284 386 L C -0.642 176.244 176.870 0.026 0.000 1.120 386 L CA -0.010 54.835 54.840 0.009 0.000 0.879 386 L CB 0.119 42.182 42.059 0.006 0.000 1.232 386 L HN 0.066 nan 8.230 nan 0.000 0.454 387 R N 4.127 124.622 120.500 -0.009 0.000 2.538 387 R HA 0.379 4.723 4.340 0.006 0.000 0.292 387 R C -0.852 175.396 176.300 -0.088 0.000 1.008 387 R CA -0.765 55.339 56.100 0.006 0.000 0.896 387 R CB 1.612 31.900 30.300 -0.020 0.000 1.187 387 R HN 0.622 nan 8.270 nan 0.000 0.440 388 H N 2.177 121.180 119.070 -0.112 0.000 2.629 388 H HA 0.165 4.722 4.556 0.002 0.000 0.357 388 H C 0.137 175.392 175.328 -0.121 0.000 1.121 388 H CA 0.166 56.154 56.048 -0.099 0.000 1.406 388 H CB 0.776 30.538 29.762 -0.000 0.000 1.456 388 H HN 0.251 nan 8.280 nan 0.000 0.579 389 F N 1.456 121.461 119.950 0.091 0.000 2.572 389 F HA -0.070 4.460 4.527 0.005 0.000 0.370 389 F C 1.574 177.431 175.800 0.096 0.000 1.103 389 F CA 0.036 58.078 58.000 0.071 0.000 1.286 389 F CB 0.467 39.495 39.000 0.046 0.000 1.105 389 F HN 0.591 nan 8.300 nan 0.000 0.583 390 E N 0.358 120.715 120.200 0.262 0.000 2.216 390 E HA -0.059 4.294 4.350 0.006 0.000 0.192 390 E C -0.047 176.647 176.600 0.157 0.000 0.988 390 E CA 0.641 57.142 56.400 0.167 0.000 0.834 390 E CB 0.007 29.777 29.700 0.117 0.000 0.772 390 E HN 0.699 nan 8.360 nan 0.000 0.479 391 Q N -1.697 118.205 119.800 0.170 0.000 2.511 391 Q HA 0.491 4.835 4.340 0.006 0.000 0.289 391 Q C 0.076 176.126 176.000 0.083 0.000 1.021 391 Q CA -0.633 55.240 55.803 0.117 0.000 0.785 391 Q CB 1.563 30.355 28.738 0.090 0.000 1.472 391 Q HN -0.048 nan 8.270 nan 0.000 0.411 392 I N -2.381 118.221 120.570 0.055 0.000 4.407 392 I HA -0.373 3.801 4.170 0.006 0.000 0.066 392 I C 0.614 176.769 176.117 0.063 0.000 0.591 392 I CA 1.843 63.169 61.300 0.045 0.000 1.050 392 I CB -1.650 36.372 38.000 0.038 0.000 0.939 392 I HN 0.673 nan 8.210 nan 0.000 0.169 393 V N -0.512 119.402 119.914 -0.000 0.000 2.994 393 V HA 0.801 4.925 4.120 0.006 0.000 0.318 393 V C -0.410 175.731 176.094 0.077 0.000 1.085 393 V CA -0.856 61.442 62.300 -0.004 0.000 0.998 393 V CB 2.253 33.946 31.823 -0.218 0.000 1.063 393 V HN 0.244 nan 8.190 nan 0.000 0.447 394 L N 3.018 124.303 121.223 0.102 0.000 2.313 394 L HA 0.956 5.299 4.340 0.006 0.000 0.273 394 L C 0.159 177.130 176.870 0.168 0.000 1.028 394 L CA 1.027 55.960 54.840 0.155 0.000 0.871 394 L CB 0.139 42.274 42.059 0.127 0.000 1.242 394 L HN 1.331 nan 8.230 nan 0.000 0.434 395 G N 1.512 110.465 108.800 0.255 0.000 2.428 395 G HA2 0.486 4.450 3.960 0.006 0.000 0.304 395 G HA3 0.486 4.450 3.960 0.006 0.000 0.304 395 G C -1.265 173.691 174.900 0.093 0.000 1.303 395 G CA -0.025 45.205 45.100 0.217 0.000 0.825 395 G HN 0.511 nan 8.290 nan 0.000 0.484 396 T N -2.080 112.418 114.554 -0.093 0.000 2.885 396 T HA 0.562 4.915 4.350 0.006 0.000 0.285 396 T C 0.923 175.316 174.700 -0.512 0.000 1.019 396 T CA -0.685 61.176 62.100 -0.398 0.000 1.010 396 T CB 2.457 71.097 68.868 -0.381 0.000 1.022 396 T HN 0.548 nan 8.240 nan 0.000 0.466 397 R N 0.314 120.290 120.500 -0.874 0.000 2.115 397 R HA 0.093 4.437 4.340 0.006 0.000 0.226 397 R C 0.460 176.225 176.300 -0.891 0.000 1.100 397 R CA 0.742 56.240 56.100 -1.002 0.000 0.980 397 R CB -0.057 29.700 30.300 -0.904 0.000 0.875 397 R HN 0.658 nan 8.270 nan 0.000 0.445 398 H N -1.016 117.937 119.070 -0.194 0.000 2.895 398 H HA 0.314 4.873 4.556 0.005 0.000 0.373 398 H C -1.417 173.854 175.328 -0.095 0.000 1.174 398 H CA -0.962 55.028 56.048 -0.096 0.000 1.144 398 H CB 2.244 31.957 29.762 -0.081 0.000 1.793 398 H HN -0.131 nan 8.280 nan 0.000 0.551 399 L N 3.743 124.999 121.223 0.054 0.000 2.490 399 L HA 0.353 4.696 4.340 0.006 0.000 0.256 399 L C -2.768 174.070 176.870 -0.054 0.000 1.089 399 L CA -1.461 53.370 54.840 -0.015 0.000 0.916 399 L CB 1.261 43.307 42.059 -0.021 0.000 1.188 399 L HN 0.270 nan 8.230 nan 0.000 0.476 400 P HA 0.208 nan 4.420 nan 0.000 0.267 400 P C -0.911 176.262 177.300 -0.212 0.000 1.209 400 P CA 0.108 63.133 63.100 -0.125 0.000 0.763 400 P CB 0.915 32.564 31.700 -0.085 0.000 0.816 401 V N 1.750 121.431 119.914 -0.389 0.000 3.074 401 V HA 0.668 4.792 4.120 0.006 0.000 0.314 401 V C -0.882 174.920 176.094 -0.487 0.000 1.117 401 V CA -1.171 60.849 62.300 -0.466 0.000 1.014 401 V CB 2.064 33.498 31.823 -0.649 0.000 1.057 401 V HN 0.171 nan 8.190 nan 0.000 0.438 402 L N 1.822 122.813 121.223 -0.387 0.000 2.385 402 L HA 0.835 5.179 4.340 0.006 0.000 0.273 402 L C 0.428 177.109 176.870 -0.316 0.000 0.990 402 L CA -0.910 53.757 54.840 -0.289 0.000 0.821 402 L CB 1.908 43.865 42.059 -0.171 0.000 1.279 402 L HN 0.979 nan 8.230 nan 0.000 0.412 403 A N 1.837 124.510 122.820 -0.245 0.000 2.492 403 A HA 0.424 4.748 4.320 0.006 0.000 0.254 403 A C 1.229 178.752 177.584 -0.102 0.000 1.091 403 A CA 0.445 52.358 52.037 -0.207 0.000 0.768 403 A CB 0.510 19.544 19.000 0.056 0.000 1.028 403 A HN 0.985 nan 8.150 nan 0.000 0.498 404 G N 1.837 110.558 108.800 -0.132 0.000 2.484 404 G HA2 0.133 4.097 3.960 0.006 0.000 0.215 404 G HA3 0.133 4.097 3.960 0.006 0.000 0.215 404 G C 0.785 175.678 174.900 -0.011 0.000 1.219 404 G CA 1.425 46.461 45.100 -0.108 0.000 0.791 404 G HN 0.740 nan 8.290 nan 0.000 0.550 405 S N -2.086 113.651 115.700 0.062 0.000 2.704 405 S HA 0.716 5.190 4.470 0.006 0.000 0.296 405 S C -0.544 174.169 174.600 0.188 0.000 1.138 405 S CA 0.045 58.296 58.200 0.085 0.000 0.875 405 S CB 2.110 65.338 63.200 0.048 0.000 1.151 405 S HN 0.955 nan 8.310 nan 0.000 0.500 406 S N -0.282 115.495 115.700 0.129 0.000 2.611 406 S HA 0.516 4.989 4.470 0.006 0.000 0.268 406 S C -2.954 171.659 174.600 0.021 0.000 1.156 406 S CA -1.018 57.241 58.200 0.099 0.000 0.817 406 S CB 0.782 64.121 63.200 0.232 0.000 1.122 406 S HN 0.317 nan 8.310 nan 0.000 0.466 407 P HA 0.131 nan 4.420 nan 0.000 0.231 407 P C 0.940 178.234 177.300 -0.009 0.000 1.158 407 P CA 0.580 63.660 63.100 -0.033 0.000 0.763 407 P CB -0.021 31.640 31.700 -0.066 0.000 0.805 408 R N -0.872 119.635 120.500 0.012 0.000 2.200 408 R HA 0.055 4.399 4.340 0.006 0.000 0.208 408 R C 0.835 177.149 176.300 0.023 0.000 1.033 408 R CA 0.304 56.416 56.100 0.021 0.000 1.000 408 R CB -0.215 30.110 30.300 0.041 0.000 0.906 408 R HN 0.414 nan 8.270 nan 0.000 0.462 409 Q N 0.670 120.487 119.800 0.027 0.000 2.311 409 Q HA 0.069 4.413 4.340 0.006 0.000 0.272 409 Q C -0.139 175.869 176.000 0.014 0.000 1.012 409 Q CA 0.174 55.992 55.803 0.023 0.000 0.891 409 Q CB 1.572 30.326 28.738 0.027 0.000 1.201 409 Q HN -0.021 nan 8.270 nan 0.000 0.391 410 S N 0.703 116.410 115.700 0.012 0.000 2.667 410 S HA 0.720 5.193 4.470 0.006 0.000 0.292 410 S C -0.277 174.327 174.600 0.006 0.000 1.108 410 S CA -0.224 57.981 58.200 0.008 0.000 0.992 410 S CB 0.716 63.920 63.200 0.007 0.000 1.269 410 S HN 0.718 nan 8.310 nan 0.000 0.528 411 A N 0.000 122.823 122.820 0.005 0.000 2.254 411 A HA 0.000 4.324 4.320 0.006 0.000 0.244 411 A CA 0.000 52.039 52.037 0.004 0.000 0.836 411 A CB 0.000 19.002 19.000 0.003 0.000 0.831 411 A HN 0.000 nan 8.150 nan 0.000 0.486