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 3px3_1_D DATA FIRST_RESID 10 DATA SEQUENCE PQADYSGEIA ELYDLVHQGK GKDYHREAAD LAALVRRHSP KAASLLDVAC DATA SEQUENCE GTGMHLRHLA DSFGTVEGLE LSADMLAIAR RRNPDAVLHH GDMRDFSLGR DATA SEQUENCE RFSAVTCMFS SIGALAGQAE LDAALERFAA HVLPDGVVVV EPWWFPENFT DATA SEQUENCE PGYVAAGTVE AGGTTVTRVS HSSREGEATR IEVHYLVAGP DRGITHHEES DATA SEQUENCE HRITLFTREQ YERAFTAAGL SVEFMPGGPS GRGLFTGLPG 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 10 P HA 0.000 nan 4.420 nan 0.000 0.216 10 P C 0.000 177.225 177.300 -0.124 0.000 1.155 10 P CA 0.000 63.032 63.100 -0.114 0.000 0.800 10 P CB 0.000 31.620 31.700 -0.133 0.000 0.726 11 Q N 0.282 119.997 119.800 -0.143 0.000 2.256 11 Q HA 0.784 -13.436 4.340 -30.932 0.000 0.232 11 Q C -0.047 175.786 176.000 -0.277 0.000 0.965 11 Q CA -0.459 55.252 55.803 -0.154 0.000 0.908 11 Q CB 1.524 30.196 28.738 -0.110 0.000 1.209 11 Q HN 0.500 nan 8.270 nan 0.000 0.489 12 A N 1.123 123.802 122.820 -0.235 0.000 2.628 12 A HA 0.112 -14.127 4.320 -30.932 0.000 0.267 12 A C 0.037 177.578 177.584 -0.071 0.000 1.159 12 A CA 0.130 51.976 52.037 -0.318 0.000 0.972 12 A CB 0.299 19.195 19.000 -0.174 0.000 1.211 12 A HN 0.833 nan 8.150 nan 0.000 0.576 13 D N -2.024 118.350 120.400 -0.043 0.000 2.440 13 D HA 0.104 -13.816 4.640 -30.932 0.000 0.216 13 D C -0.358 176.060 176.300 0.196 0.000 1.150 13 D CA -0.572 53.492 54.000 0.106 0.000 0.832 13 D CB -0.839 40.002 40.800 0.068 0.000 0.992 13 D HN 0.228 nan 8.370 nan 0.000 0.502 14 Y N 0.650 121.023 120.300 0.121 0.000 3.027 14 Y HA -0.250 -14.263 4.550 -30.939 0.000 0.195 14 Y C 0.305 176.213 175.900 0.012 0.000 1.381 14 Y CA 0.687 58.833 58.100 0.076 0.000 1.015 14 Y CB -2.287 36.183 38.460 0.016 0.000 1.329 14 Y HN 0.307 nan 8.280 nan 0.000 0.462 15 S N -1.517 114.228 115.700 0.075 0.000 2.661 15 S HA 0.919 -13.170 4.470 -30.932 0.000 0.285 15 S C 0.602 175.198 174.600 -0.006 0.000 1.138 15 S CA -0.220 58.000 58.200 0.033 0.000 0.855 15 S CB 2.237 65.452 63.200 0.026 0.000 1.136 15 S HN 1.761 nan 8.310 nan 0.000 0.484 16 G N 1.496 110.285 108.800 -0.018 0.000 2.566 16 G HA2 -0.347 -14.947 3.960 -30.932 0.000 0.280 16 G HA3 -0.347 -14.947 3.960 -30.932 0.000 0.280 16 G C 0.549 175.407 174.900 -0.070 0.000 1.225 16 G CA 0.743 45.822 45.100 -0.035 0.000 0.966 16 G HN 1.127 nan 8.290 nan 0.000 0.560 17 E N -0.264 119.866 120.200 -0.116 0.000 2.208 17 E HA -0.031 -14.241 4.350 -30.932 0.000 0.193 17 E C 2.710 179.136 176.600 -0.289 0.000 0.988 17 E CA 0.957 57.222 56.400 -0.225 0.000 0.828 17 E CB -0.144 29.328 29.700 -0.379 0.000 0.763 17 E HN 0.450 nan 8.360 nan 0.000 0.478 18 I N 1.404 121.819 120.570 -0.257 0.000 2.151 18 I HA -0.284 -14.674 4.170 -30.932 0.000 0.243 18 I C 2.504 178.602 176.117 -0.033 0.000 1.080 18 I CA 1.548 62.705 61.300 -0.238 0.000 1.339 18 I CB -1.662 36.270 38.000 -0.114 0.000 1.039 18 I HN 0.191 nan 8.210 nan 0.000 0.409 19 A N 0.694 123.525 122.820 0.019 0.000 1.902 19 A HA -0.203 -14.443 4.320 -30.932 0.000 0.217 19 A C 2.193 179.807 177.584 0.051 0.000 1.181 19 A CA 1.562 53.642 52.037 0.072 0.000 0.623 19 A CB -0.681 18.334 19.000 0.025 0.000 0.818 19 A HN 0.545 nan 8.150 nan 0.000 0.443 20 E N -0.272 119.915 120.200 -0.022 0.000 2.204 20 E HA -0.126 -14.336 4.350 -30.932 0.000 0.195 20 E C 1.479 178.073 176.600 -0.010 0.000 0.990 20 E CA 1.017 57.400 56.400 -0.028 0.000 0.821 20 E CB -0.255 29.404 29.700 -0.068 0.000 0.750 20 E HN 0.633 nan 8.360 nan 0.000 0.477 21 L N -0.160 121.038 121.223 -0.042 0.000 2.567 21 L HA 0.027 -14.192 4.340 -30.932 0.000 0.225 21 L C 2.009 178.943 176.870 0.107 0.000 1.119 21 L CA -0.122 54.701 54.840 -0.029 0.000 0.871 21 L CB -0.133 41.810 42.059 -0.193 0.000 1.036 21 L HN 0.102 nan 8.230 nan 0.000 0.459 22 Y N 1.422 121.762 120.300 0.067 0.000 2.114 22 Y HA -0.357 -14.368 4.550 -30.935 0.000 0.282 22 Y C 2.226 178.264 175.900 0.231 0.000 1.165 22 Y CA 2.064 60.290 58.100 0.210 0.000 1.148 22 Y CB 0.124 38.722 38.460 0.230 0.000 0.972 22 Y HN 0.236 nan 8.280 nan 0.000 0.504 23 D N -0.268 120.299 120.400 0.279 0.000 2.123 23 D HA -0.143 -14.062 4.640 -30.932 0.000 0.200 23 D C 2.131 178.486 176.300 0.092 0.000 0.976 23 D CA 1.143 55.246 54.000 0.172 0.000 0.831 23 D CB -0.479 40.384 40.800 0.104 0.000 0.974 23 D HN 0.372 nan 8.370 nan 0.000 0.469 24 L N 1.224 122.491 121.223 0.073 0.000 2.017 24 L HA -0.143 -14.363 4.340 -30.932 0.000 0.208 24 L C 2.358 179.247 176.870 0.032 0.000 1.073 24 L CA 1.474 56.343 54.840 0.049 0.000 0.745 24 L CB -0.748 41.337 42.059 0.042 0.000 0.894 24 L HN 0.035 nan 8.230 nan 0.000 0.432 25 V N -3.626 116.288 119.914 0.000 0.000 2.548 25 V HA -0.188 -14.628 4.120 -30.932 0.000 0.249 25 V C 2.415 178.422 176.094 -0.146 0.000 1.055 25 V CA 1.688 63.948 62.300 -0.066 0.000 1.065 25 V CB -1.188 30.601 31.823 -0.056 0.000 0.681 25 V HN 0.534 nan 8.190 nan 0.000 0.462 26 H N 0.131 119.183 119.070 -0.030 0.000 2.448 26 H HA 0.028 -13.978 4.556 -30.937 0.000 0.292 26 H C 2.331 177.670 175.328 0.019 0.000 1.035 26 H CA 1.773 57.800 56.048 -0.035 0.000 1.349 26 H CB 0.069 29.739 29.762 -0.155 0.000 1.425 26 H HN 0.589 nan 8.280 nan 0.000 0.539 27 Q N 0.966 120.853 119.800 0.144 0.000 2.084 27 Q HA -0.095 -14.314 4.340 -30.932 0.000 0.202 27 Q C 2.292 178.334 176.000 0.069 0.000 0.978 27 Q CA 1.557 57.426 55.803 0.110 0.000 0.844 27 Q CB -0.291 28.503 28.738 0.094 0.000 0.898 27 Q HN 0.418 nan 8.270 nan 0.000 0.426 28 G N 0.881 109.712 108.800 0.051 0.000 2.462 28 G HA2 -0.234 -14.834 3.960 -30.932 0.000 0.220 28 G HA3 -0.234 -14.834 3.960 -30.932 0.000 0.220 28 G C 1.358 176.284 174.900 0.043 0.000 1.121 28 G CA 0.728 45.852 45.100 0.040 0.000 0.758 28 G HN 0.334 nan 8.290 nan 0.000 0.559 29 K N -0.585 119.847 120.400 0.053 0.000 2.366 29 K HA 0.220 -14.020 4.320 -30.932 0.000 0.198 29 K C 1.604 178.247 176.600 0.072 0.000 1.044 29 K CA 0.525 56.857 56.287 0.075 0.000 0.973 29 K CB 0.148 32.720 32.500 0.120 0.000 0.767 29 K HN 0.357 nan 8.250 nan 0.000 0.475 30 G N 1.592 110.425 108.800 0.056 0.000 2.159 30 G HA2 -0.231 -14.831 3.960 -30.932 0.000 0.170 30 G HA3 -0.231 -14.831 3.960 -30.932 0.000 0.170 30 G C -0.290 174.610 174.900 -0.000 0.000 1.007 30 G CA -0.430 44.690 45.100 0.033 0.000 0.672 30 G HN 0.193 nan 8.290 nan 0.000 0.507 31 K N 0.874 121.267 120.400 -0.013 0.000 2.368 31 K HA 0.388 -13.852 4.320 -30.932 0.000 0.282 31 K C -0.922 175.604 176.600 -0.123 0.000 1.035 31 K CA -0.202 55.991 56.287 -0.156 0.000 0.973 31 K CB 0.476 32.794 32.500 -0.304 0.000 0.957 31 K HN 0.052 nan 8.250 nan 0.000 0.474 32 D N 4.448 124.730 120.400 -0.196 0.000 2.462 32 D HA 0.096 -13.824 4.640 -30.932 0.000 0.249 32 D C -0.098 176.112 176.300 -0.150 0.000 1.117 32 D CA -0.369 53.578 54.000 -0.087 0.000 0.900 32 D CB 0.248 41.016 40.800 -0.053 0.000 1.039 32 D HN 0.478 nan 8.370 nan 0.000 0.516 33 Y N 1.289 121.501 120.300 -0.147 0.000 2.421 33 Y HA -0.130 -14.138 4.550 -30.931 0.000 0.292 33 Y C 2.341 178.102 175.900 -0.231 0.000 1.136 33 Y CA 0.978 58.970 58.100 -0.179 0.000 1.255 33 Y CB -0.230 38.129 38.460 -0.169 0.000 0.991 33 Y HN 0.622 nan 8.280 nan 0.000 0.552 34 H N 0.618 119.457 119.070 -0.385 0.000 2.326 34 H HA -0.151 -14.154 4.556 -30.933 0.000 0.301 34 H C 2.383 177.597 175.328 -0.189 0.000 1.081 34 H CA 1.757 57.459 56.048 -0.577 0.000 1.334 34 H CB 0.153 29.580 29.762 -0.559 0.000 1.385 34 H HN 0.178 nan 8.280 nan 0.000 0.504 35 R N 1.185 121.627 120.500 -0.097 0.000 2.083 35 R HA -0.112 -14.332 4.340 -30.932 0.000 0.237 35 R C 2.398 178.638 176.300 -0.099 0.000 1.137 35 R CA 2.055 58.107 56.100 -0.080 0.000 0.951 35 R CB -0.422 29.866 30.300 -0.020 0.000 0.851 35 R HN 0.505 nan 8.270 nan 0.000 0.434 36 E N -0.345 119.809 120.200 -0.077 0.000 2.085 36 E HA -0.184 -14.393 4.350 -30.932 0.000 0.194 36 E C 1.930 178.539 176.600 0.014 0.000 0.994 36 E CA 1.306 57.690 56.400 -0.027 0.000 0.801 36 E CB -0.232 29.478 29.700 0.017 0.000 0.743 36 E HN 0.504 nan 8.360 nan 0.000 0.453 37 A N 1.528 124.382 122.820 0.058 0.000 1.898 37 A HA -0.074 -14.313 4.320 -30.932 0.000 0.216 37 A C 2.394 179.982 177.584 0.007 0.000 1.181 37 A CA 1.620 53.705 52.037 0.081 0.000 0.620 37 A CB -0.517 18.577 19.000 0.158 0.000 0.819 37 A HN 0.286 nan 8.150 nan 0.000 0.442 38 A N 0.097 122.853 122.820 -0.107 0.000 1.898 38 A HA -0.149 -14.389 4.320 -30.932 0.000 0.216 38 A C 1.736 179.297 177.584 -0.038 0.000 1.181 38 A CA 1.812 53.791 52.037 -0.097 0.000 0.620 38 A CB -0.548 18.343 19.000 -0.182 0.000 0.819 38 A HN 0.445 nan 8.150 nan 0.000 0.442 39 D N -0.430 119.945 120.400 -0.043 0.000 2.144 39 D HA -0.121 -14.040 4.640 -30.932 0.000 0.199 39 D C 1.772 178.070 176.300 -0.003 0.000 0.984 39 D CA 1.046 55.029 54.000 -0.029 0.000 0.834 39 D CB -0.340 40.434 40.800 -0.043 0.000 0.955 39 D HN 0.328 nan 8.370 nan 0.000 0.465 40 L N 0.702 121.929 121.223 0.006 0.000 2.072 40 L HA 0.053 -14.167 4.340 -30.932 0.000 0.205 40 L C 2.119 179.061 176.870 0.120 0.000 1.079 40 L CA 1.313 56.167 54.840 0.025 0.000 0.752 40 L CB -0.766 41.273 42.059 -0.033 0.000 0.906 40 L HN -0.040 nan 8.230 nan 0.000 0.436 41 A N -0.741 122.182 122.820 0.171 0.000 1.930 41 A HA -0.070 -14.309 4.320 -30.932 0.000 0.217 41 A C 2.407 180.048 177.584 0.095 0.000 1.175 41 A CA 1.602 53.798 52.037 0.266 0.000 0.627 41 A CB -0.965 18.152 19.000 0.196 0.000 0.815 41 A HN 0.496 nan 8.150 nan 0.000 0.443 42 A N -0.581 122.263 122.820 0.039 0.000 1.930 42 A HA 0.050 -14.190 4.320 -30.932 0.000 0.217 42 A C 2.096 179.689 177.584 0.016 0.000 1.175 42 A CA 1.555 53.593 52.037 0.002 0.000 0.627 42 A CB -0.544 18.445 19.000 -0.017 0.000 0.815 42 A HN 0.645 nan 8.150 nan 0.000 0.443 43 L N -0.075 121.175 121.223 0.045 0.000 2.017 43 L HA -0.109 -14.328 4.340 -30.932 0.000 0.208 43 L C 2.366 179.328 176.870 0.154 0.000 1.073 43 L CA 1.925 56.812 54.840 0.078 0.000 0.745 43 L CB -0.568 41.546 42.059 0.092 0.000 0.894 43 L HN 0.140 nan 8.230 nan 0.000 0.432 44 V N -0.052 119.970 119.914 0.180 0.000 2.295 44 V HA -0.288 -14.727 4.120 -30.932 0.000 0.246 44 V C 2.735 178.929 176.094 0.167 0.000 1.049 44 V CA 2.138 64.579 62.300 0.233 0.000 1.024 44 V CB -0.627 31.415 31.823 0.365 0.000 0.648 44 V HN 0.457 nan 8.190 nan 0.000 0.447 45 R N -0.711 119.838 120.500 0.082 0.000 2.189 45 R HA -0.130 -14.350 4.340 -30.932 0.000 0.223 45 R C 2.441 178.733 176.300 -0.015 0.000 1.092 45 R CA 1.110 57.216 56.100 0.010 0.000 0.989 45 R CB -0.270 29.997 30.300 -0.055 0.000 0.876 45 R HN 0.396 nan 8.270 nan 0.000 0.457 46 R N -0.031 120.438 120.500 -0.052 0.000 2.073 46 R HA -0.117 -14.336 4.340 -30.932 0.000 0.234 46 R C 1.538 177.710 176.300 -0.213 0.000 1.134 46 R CA 1.462 57.460 56.100 -0.170 0.000 0.952 46 R CB -0.019 30.108 30.300 -0.288 0.000 0.850 46 R HN 0.354 nan 8.270 nan 0.000 0.433 47 H N -2.110 116.979 119.070 0.032 0.000 2.539 47 H HA 0.173 -13.830 4.556 -30.932 0.000 0.267 47 H C 0.014 175.371 175.328 0.049 0.000 0.982 47 H CA 0.694 56.767 56.048 0.041 0.000 1.146 47 H CB 0.730 30.524 29.762 0.054 0.000 1.382 47 H HN 0.088 nan 8.280 nan 0.000 0.577 48 S N 0.382 116.161 115.700 0.133 0.000 2.849 48 S HA 0.171 -13.919 4.470 -30.932 0.000 0.141 48 S C -2.402 172.236 174.600 0.065 0.000 1.109 48 S CA -0.906 57.360 58.200 0.110 0.000 1.106 48 S CB 0.445 63.733 63.200 0.146 0.000 1.637 48 S HN -0.139 nan 8.310 nan 0.000 0.457 49 P HA -0.109 nan 4.420 nan 0.000 0.218 49 P C 0.416 177.709 177.300 -0.011 0.000 1.146 49 P CA 1.259 64.359 63.100 -0.001 0.000 0.813 49 P CB 0.006 31.702 31.700 -0.006 0.000 0.778 50 K N -1.647 118.758 120.400 0.008 0.000 2.593 50 K HA 0.491 -13.749 4.320 -30.932 0.000 0.208 50 K C 0.235 176.843 176.600 0.014 0.000 1.051 50 K CA -1.050 55.237 56.287 -0.001 0.000 1.111 50 K CB -1.000 31.506 32.500 0.009 0.000 0.849 50 K HN -0.080 nan 8.250 nan 0.000 0.479 51 A N 0.625 123.458 122.820 0.022 0.000 2.401 51 A HA 0.645 -13.595 4.320 -30.932 0.000 0.259 51 A C 0.695 178.321 177.584 0.070 0.000 1.103 51 A CA 0.098 52.198 52.037 0.106 0.000 0.789 51 A CB 0.508 19.632 19.000 0.206 0.000 1.035 51 A HN 0.426 nan 8.150 nan 0.000 0.491 52 A N 1.599 124.537 122.820 0.196 0.000 2.548 52 A HA 0.547 -13.693 4.320 -30.932 0.000 0.236 52 A C 0.604 178.391 177.584 0.338 0.000 1.246 52 A CA 0.793 52.940 52.037 0.183 0.000 0.993 52 A CB -0.127 18.934 19.000 0.102 0.000 1.209 52 A HN 1.817 nan 8.150 nan 0.000 0.570 53 S N -0.812 115.141 115.700 0.422 0.000 2.556 53 S HA 0.772 -13.317 4.470 -30.932 0.000 0.271 53 S C -1.226 173.534 174.600 0.267 0.000 1.135 53 S CA -0.588 57.822 58.200 0.350 0.000 0.858 53 S CB 1.559 64.917 63.200 0.263 0.000 1.114 53 S HN 0.953 nan 8.310 nan 0.000 0.468 54 L N 1.859 123.155 121.223 0.123 0.000 2.543 54 L HA 0.676 -13.544 4.340 -30.932 0.000 0.265 54 L C -2.128 174.539 176.870 -0.339 0.000 0.945 54 L CA -0.854 53.849 54.840 -0.227 0.000 0.869 54 L CB 1.793 43.403 42.059 -0.748 0.000 1.294 54 L HN 0.864 nan 8.230 nan 0.000 0.405 55 L N 4.128 124.978 121.223 -0.622 0.000 2.265 55 L HA 0.534 -13.685 4.340 -30.932 0.000 0.289 55 L C -0.870 175.682 176.870 -0.530 0.000 1.033 55 L CA 0.263 54.582 54.840 -0.869 0.000 0.814 55 L CB 1.227 42.465 42.059 -1.368 0.000 1.203 55 L HN 0.588 nan 8.230 nan 0.000 0.423 56 D N 3.947 124.100 120.400 -0.411 0.000 2.373 56 D HA 0.337 -13.583 4.640 -30.932 0.000 0.227 56 D C -0.865 175.230 176.300 -0.341 0.000 1.091 56 D CA -0.104 53.697 54.000 -0.332 0.000 0.840 56 D CB 1.231 41.900 40.800 -0.219 0.000 1.060 56 D HN 0.331 nan 8.370 nan 0.000 0.502 57 V N 3.211 122.884 119.914 -0.401 0.000 2.465 57 V HA 0.533 -13.907 4.120 -30.932 0.000 0.279 57 V C 0.787 176.729 176.094 -0.253 0.000 1.045 57 V CA -0.314 61.742 62.300 -0.408 0.000 0.938 57 V CB 0.873 32.354 31.823 -0.569 0.000 0.986 57 V HN 0.895 nan 8.190 nan 0.000 0.467 58 A N 3.071 125.763 122.820 -0.214 0.000 2.667 58 A HA -0.215 -14.455 4.320 -30.932 0.000 0.298 58 A C 1.322 178.817 177.584 -0.147 0.000 1.483 58 A CA 0.731 52.671 52.037 -0.162 0.000 0.738 58 A CB -2.034 16.896 19.000 -0.116 0.000 1.067 58 A HN 1.846 nan 8.150 nan 0.000 0.451 59 C N -1.778 117.429 119.300 -0.155 0.000 2.472 59 C HA 0.455 -13.644 4.460 -30.932 0.000 0.278 59 C C 2.444 177.357 174.990 -0.129 0.000 1.447 59 C CA 0.434 59.385 59.018 -0.112 0.000 1.773 59 C CB -1.555 26.110 27.740 -0.125 0.000 1.793 59 C HN 2.694 nan 8.230 nan 0.000 0.544 60 G N 1.726 110.402 108.800 -0.206 0.000 2.591 60 G HA2 -0.370 -14.970 3.960 -30.932 0.000 0.298 60 G HA3 -0.370 -14.970 3.960 -30.932 0.000 0.298 60 G C 0.871 175.608 174.900 -0.271 0.000 1.195 60 G CA 2.004 46.909 45.100 -0.324 0.000 0.989 60 G HN 1.276 nan 8.290 nan 0.000 0.551 61 T N -0.988 113.395 114.554 -0.285 0.000 3.194 61 T HA 0.449 -13.760 4.350 -30.932 0.000 0.251 61 T C 2.234 176.835 174.700 -0.166 0.000 1.132 61 T CA 1.453 63.438 62.100 -0.191 0.000 1.028 61 T CB 0.007 68.799 68.868 -0.127 0.000 0.976 61 T HN 2.753 nan 8.240 nan 0.000 0.535 62 G N 1.126 109.830 108.800 -0.159 0.000 2.136 62 G HA2 -0.269 -14.868 3.960 -30.932 0.000 0.242 62 G HA3 -0.269 -14.868 3.960 -30.932 0.000 0.242 62 G C 0.805 175.611 174.900 -0.156 0.000 0.989 62 G CA 0.332 45.353 45.100 -0.132 0.000 0.682 62 G HN 0.362 nan 8.290 nan 0.000 0.522 63 M N -0.584 118.854 119.600 -0.271 0.000 2.123 63 M HA 0.047 -14.033 4.480 -30.932 0.000 0.263 63 M C 2.109 178.326 176.300 -0.137 0.000 1.069 63 M CA 2.067 57.119 55.300 -0.414 0.000 1.133 63 M CB -1.179 30.719 32.600 -1.170 0.000 1.356 63 M HN 0.534 nan 8.290 nan 0.000 0.415 64 H N 0.063 119.172 119.070 0.065 0.000 2.290 64 H HA -0.105 -14.109 4.556 -30.935 0.000 0.298 64 H C 2.172 177.534 175.328 0.056 0.000 1.087 64 H CA 1.543 57.700 56.048 0.183 0.000 1.291 64 H CB -0.131 29.717 29.762 0.144 0.000 1.369 64 H HN 0.217 nan 8.280 nan 0.000 0.492 65 L N 0.296 121.577 121.223 0.096 0.000 2.042 65 L HA -0.241 -14.460 4.340 -30.932 0.000 0.210 65 L C 2.748 179.606 176.870 -0.020 0.000 1.076 65 L CA 1.322 56.164 54.840 0.003 0.000 0.749 65 L CB -0.425 41.603 42.059 -0.051 0.000 0.893 65 L HN 0.298 nan 8.230 nan 0.000 0.432 66 R N -0.120 120.328 120.500 -0.088 0.000 2.103 66 R HA -0.219 -14.438 4.340 -30.932 0.000 0.242 66 R C 2.106 178.283 176.300 -0.205 0.000 1.142 66 R CA 2.142 58.132 56.100 -0.184 0.000 0.960 66 R CB -0.346 29.779 30.300 -0.293 0.000 0.858 66 R HN 0.480 nan 8.270 nan 0.000 0.439 67 H N -0.244 118.866 119.070 0.066 0.000 2.415 67 H HA 0.060 -13.943 4.556 -30.933 0.000 0.297 67 H C 2.028 177.412 175.328 0.094 0.000 1.048 67 H CA 1.235 57.338 56.048 0.091 0.000 1.365 67 H CB 0.082 29.905 29.762 0.101 0.000 1.421 67 H HN 0.114 nan 8.280 nan 0.000 0.533 68 L N 0.205 121.542 121.223 0.190 0.000 2.191 68 L HA -0.121 -14.340 4.340 -30.932 0.000 0.212 68 L C 2.568 179.569 176.870 0.219 0.000 1.103 68 L CA 0.597 55.551 54.840 0.189 0.000 0.769 68 L CB -0.346 41.733 42.059 0.034 0.000 0.908 68 L HN 0.354 nan 8.230 nan 0.000 0.438 69 A N -0.351 122.544 122.820 0.125 0.000 2.024 69 A HA -0.221 -14.461 4.320 -30.932 0.000 0.220 69 A C 1.759 179.420 177.584 0.128 0.000 1.164 69 A CA 1.885 53.987 52.037 0.109 0.000 0.643 69 A CB -0.332 18.694 19.000 0.043 0.000 0.806 69 A HN 0.352 nan 8.150 nan 0.000 0.451 70 D N -1.095 119.385 120.400 0.134 0.000 2.348 70 D HA 0.089 -13.830 4.640 -30.932 0.000 0.211 70 D C 1.489 177.850 176.300 0.102 0.000 0.998 70 D CA 0.885 54.951 54.000 0.110 0.000 0.873 70 D CB 0.360 41.236 40.800 0.128 0.000 0.925 70 D HN 0.385 nan 8.370 nan 0.000 0.524 71 S N -0.808 114.982 115.700 0.151 0.000 2.506 71 S HA 0.209 -13.880 4.470 -30.932 0.000 0.219 71 S C 0.321 174.876 174.600 -0.075 0.000 1.031 71 S CA -0.272 57.951 58.200 0.038 0.000 0.911 71 S CB 0.958 64.180 63.200 0.037 0.000 0.812 71 S HN 0.041 nan 8.310 nan 0.000 0.497 72 F N 0.327 120.297 119.950 0.034 0.000 2.532 72 F HA 0.537 -13.495 4.527 -30.932 0.000 0.321 72 F C 1.414 177.238 175.800 0.041 0.000 1.089 72 F CA -0.946 57.077 58.000 0.040 0.000 0.926 72 F CB 1.455 40.484 39.000 0.048 0.000 1.168 72 F HN 0.076 nan 8.300 nan 0.000 0.459 73 G N 0.789 109.713 108.800 0.207 0.000 2.408 73 G HA2 -0.028 -14.627 3.960 -30.932 0.000 0.217 73 G HA3 -0.028 -14.627 3.960 -30.932 0.000 0.217 73 G C 0.262 175.244 174.900 0.136 0.000 1.150 73 G CA 0.724 45.903 45.100 0.132 0.000 0.776 73 G HN 0.491 nan 8.290 nan 0.000 0.542 74 T N 0.396 115.056 114.554 0.176 0.000 2.864 74 T HA 0.499 -13.711 4.350 -30.932 0.000 0.299 74 T C -0.423 174.376 174.700 0.166 0.000 1.011 74 T CA -0.469 61.722 62.100 0.152 0.000 0.975 74 T CB 1.897 70.851 68.868 0.144 0.000 0.962 74 T HN 0.360 nan 8.240 nan 0.000 0.448 75 V N 1.209 121.186 119.914 0.105 0.000 2.881 75 V HA 0.932 -13.507 4.120 -30.932 0.000 0.316 75 V C -0.525 175.589 176.094 0.033 0.000 1.070 75 V CA -0.924 61.397 62.300 0.036 0.000 0.976 75 V CB 2.070 33.879 31.823 -0.024 0.000 1.038 75 V HN 0.857 nan 8.190 nan 0.000 0.446 76 E N 0.767 120.936 120.200 -0.051 0.000 2.390 76 E HA 0.749 -13.461 4.350 -30.932 0.000 0.277 76 E C -0.559 175.944 176.600 -0.162 0.000 0.939 76 E CA -0.297 56.072 56.400 -0.052 0.000 0.769 76 E CB 2.267 32.017 29.700 0.084 0.000 1.251 76 E HN 1.263 nan 8.360 nan 0.000 0.450 77 G N 1.171 109.897 108.800 -0.123 0.000 2.569 77 G HA2 0.665 -13.935 3.960 -30.932 0.000 0.300 77 G HA3 0.665 -13.935 3.960 -30.932 0.000 0.300 77 G C -1.802 173.030 174.900 -0.112 0.000 1.269 77 G CA -0.650 44.355 45.100 -0.157 0.000 0.959 77 G HN 0.430 nan 8.290 nan 0.000 0.478 78 L N -0.062 121.038 121.223 -0.205 0.000 2.431 78 L HA 0.912 -13.308 4.340 -30.932 0.000 0.266 78 L C -1.243 175.508 176.870 -0.199 0.000 0.978 78 L CA -0.660 54.051 54.840 -0.215 0.000 0.822 78 L CB 2.458 44.214 42.059 -0.505 0.000 1.310 78 L HN 0.590 nan 8.230 nan 0.000 0.409 79 E N 3.190 123.323 120.200 -0.111 0.000 2.347 79 E HA 0.261 -13.949 4.350 -30.932 0.000 0.285 79 E C -0.984 175.632 176.600 0.026 0.000 0.925 79 E CA -0.546 55.801 56.400 -0.088 0.000 0.779 79 E CB 1.677 31.314 29.700 -0.104 0.000 1.233 79 E HN 0.580 nan 8.360 nan 0.000 0.414 80 L N 2.874 124.104 121.223 0.012 0.000 2.162 80 L HA 0.337 -13.882 4.340 -30.932 0.000 0.205 80 L C 0.674 177.661 176.870 0.194 0.000 1.086 80 L CA 1.249 56.139 54.840 0.084 0.000 0.778 80 L CB -0.039 42.034 42.059 0.023 0.000 0.928 80 L HN 0.447 nan 8.230 nan 0.000 0.446 81 S N -0.544 115.207 115.700 0.085 0.000 2.474 81 S HA 0.410 -13.679 4.470 -30.932 0.000 0.276 81 S C 1.396 175.970 174.600 -0.043 0.000 1.227 81 S CA -0.021 58.221 58.200 0.071 0.000 1.050 81 S CB 1.218 64.457 63.200 0.065 0.000 0.939 81 S HN 0.457 nan 8.310 nan 0.000 0.490 82 A N 4.634 127.394 122.820 -0.099 0.000 1.930 82 A HA -0.042 -14.281 4.320 -30.932 0.000 0.217 82 A C 1.744 179.222 177.584 -0.177 0.000 1.175 82 A CA 1.629 53.469 52.037 -0.330 0.000 0.627 82 A CB -0.575 18.256 19.000 -0.282 0.000 0.815 82 A HN 0.841 nan 8.150 nan 0.000 0.443 83 D N -0.448 119.900 120.400 -0.087 0.000 2.149 83 D HA -0.098 -14.018 4.640 -30.932 0.000 0.201 83 D C 2.025 178.277 176.300 -0.079 0.000 0.972 83 D CA 0.985 54.944 54.000 -0.068 0.000 0.835 83 D CB -0.301 40.480 40.800 -0.031 0.000 0.966 83 D HN 0.302 nan 8.370 nan 0.000 0.476 84 M N 0.167 119.715 119.600 -0.086 0.000 2.086 84 M HA -0.080 -14.159 4.480 -30.932 0.000 0.261 84 M C 2.287 178.500 176.300 -0.145 0.000 1.067 84 M CA 0.701 55.919 55.300 -0.136 0.000 1.116 84 M CB -0.933 31.549 32.600 -0.197 0.000 1.348 84 M HN 0.070 nan 8.290 nan 0.000 0.407 85 L N 0.996 122.130 121.223 -0.149 0.000 2.079 85 L HA -0.109 -14.328 4.340 -30.932 0.000 0.210 85 L C 2.517 179.303 176.870 -0.138 0.000 1.081 85 L CA 2.030 56.778 54.840 -0.154 0.000 0.752 85 L CB -0.843 41.103 42.059 -0.189 0.000 0.896 85 L HN 0.241 nan 8.230 nan 0.000 0.433 86 A N -0.338 122.402 122.820 -0.132 0.000 1.902 86 A HA -0.173 -14.413 4.320 -30.932 0.000 0.217 86 A C 2.251 179.781 177.584 -0.091 0.000 1.181 86 A CA 2.102 54.075 52.037 -0.107 0.000 0.623 86 A CB -0.824 18.120 19.000 -0.093 0.000 0.818 86 A HN 0.511 nan 8.150 nan 0.000 0.443 87 I N -0.353 120.163 120.570 -0.091 0.000 2.252 87 I HA -0.231 -14.621 4.170 -30.932 0.000 0.245 87 I C 2.959 179.021 176.117 -0.091 0.000 1.102 87 I CA 0.927 62.179 61.300 -0.080 0.000 1.385 87 I CB -0.322 37.635 38.000 -0.072 0.000 1.064 87 I HN 0.345 nan 8.210 nan 0.000 0.414 88 A N 0.917 123.671 122.820 -0.110 0.000 1.908 88 A HA -0.217 -14.457 4.320 -30.932 0.000 0.218 88 A C 2.404 179.927 177.584 -0.101 0.000 1.181 88 A CA 1.564 53.532 52.037 -0.114 0.000 0.627 88 A CB -0.582 18.342 19.000 -0.127 0.000 0.818 88 A HN 0.307 nan 8.150 nan 0.000 0.445 89 R N -1.209 119.232 120.500 -0.098 0.000 2.081 89 R HA -0.095 -14.315 4.340 -30.932 0.000 0.235 89 R C 2.506 178.761 176.300 -0.074 0.000 1.131 89 R CA 1.485 57.532 56.100 -0.088 0.000 0.960 89 R CB -0.277 29.970 30.300 -0.089 0.000 0.856 89 R HN 0.523 nan 8.270 nan 0.000 0.436 90 R N 0.616 121.073 120.500 -0.071 0.000 2.091 90 R HA -0.155 -14.374 4.340 -30.932 0.000 0.238 90 R C 2.326 178.590 176.300 -0.061 0.000 1.136 90 R CA 1.631 57.695 56.100 -0.060 0.000 0.959 90 R CB -0.089 30.178 30.300 -0.055 0.000 0.856 90 R HN 0.076 nan 8.270 nan 0.000 0.437 91 R N -0.169 120.288 120.500 -0.073 0.000 2.153 91 R HA 0.011 -14.209 4.340 -30.932 0.000 0.218 91 R C -0.079 176.172 176.300 -0.081 0.000 1.072 91 R CA 1.063 57.114 56.100 -0.081 0.000 0.990 91 R CB 0.277 30.517 30.300 -0.100 0.000 0.889 91 R HN 0.176 nan 8.270 nan 0.000 0.452 92 N N 1.057 119.711 118.700 -0.077 0.000 2.818 92 N HA 0.141 -13.679 4.740 -30.932 0.000 0.301 92 N C -2.294 173.182 175.510 -0.057 0.000 1.821 92 N CA -1.054 51.955 53.050 -0.068 0.000 0.930 92 N CB 1.764 40.206 38.487 -0.075 0.000 1.263 92 N HN 0.216 nan 8.380 nan 0.000 0.487 93 P HA -0.025 nan 4.420 nan 0.000 0.226 93 P C 0.268 177.547 177.300 -0.036 0.000 1.153 93 P CA 1.156 64.231 63.100 -0.043 0.000 0.777 93 P CB 0.551 32.229 31.700 -0.035 0.000 0.794 94 D N -1.027 119.355 120.400 -0.030 0.000 2.395 94 D HA 0.243 -13.677 4.640 -30.932 0.000 0.213 94 D C 0.728 177.018 176.300 -0.016 0.000 1.110 94 D CA 0.022 54.011 54.000 -0.019 0.000 0.835 94 D CB 0.653 41.448 40.800 -0.009 0.000 0.965 94 D HN 0.100 nan 8.370 nan 0.000 0.505 95 A N 0.300 123.103 122.820 -0.029 0.000 2.294 95 A HA 0.564 -13.676 4.320 -30.932 0.000 0.330 95 A C -0.021 177.528 177.584 -0.058 0.000 1.133 95 A CA -0.489 51.532 52.037 -0.027 0.000 0.836 95 A CB 1.369 20.350 19.000 -0.031 0.000 1.190 95 A HN -0.060 nan 8.150 nan 0.000 0.492 96 V N 1.522 121.398 119.914 -0.063 0.000 2.432 96 V HA 0.319 -14.120 4.120 -30.932 0.000 0.271 96 V C -0.687 175.255 176.094 -0.253 0.000 1.046 96 V CA 0.036 62.239 62.300 -0.162 0.000 0.945 96 V CB 0.524 32.266 31.823 -0.134 0.000 0.992 96 V HN 0.604 nan 8.190 nan 0.000 0.471 97 L N 5.931 126.979 121.223 -0.293 0.000 2.343 97 L HA 0.500 -13.720 4.340 -30.932 0.000 0.278 97 L C -0.015 176.690 176.870 -0.274 0.000 0.996 97 L CA -0.141 54.552 54.840 -0.245 0.000 0.831 97 L CB 1.270 43.239 42.059 -0.150 0.000 1.232 97 L HN 0.588 nan 8.230 nan 0.000 0.413 98 H N 1.911 120.953 119.070 -0.046 0.000 2.487 98 H HA 0.205 -13.798 4.556 -30.933 0.000 0.333 98 H C -0.603 174.740 175.328 0.025 0.000 1.114 98 H CA -0.423 55.621 56.048 -0.006 0.000 1.310 98 H CB 1.372 31.124 29.762 -0.016 0.000 1.462 98 H HN 0.590 nan 8.280 nan 0.000 0.516 99 H N 1.397 120.499 119.070 0.053 0.000 2.864 99 H HA 0.372 -13.632 4.556 -30.933 0.000 0.281 99 H C 0.015 175.352 175.328 0.016 0.000 1.093 99 H CA -0.267 55.787 56.048 0.010 0.000 1.453 99 H CB 0.153 29.919 29.762 0.006 0.000 1.462 99 H HN 0.928 nan 8.280 nan 0.000 0.480 100 G N 3.697 112.485 108.800 -0.021 0.000 2.321 100 G HA2 0.026 -14.574 3.960 -30.932 0.000 0.296 100 G HA3 0.026 -14.574 3.960 -30.932 0.000 0.296 100 G C -1.981 172.863 174.900 -0.094 0.000 1.287 100 G CA -0.709 44.334 45.100 -0.095 0.000 0.846 100 G HN 0.548 nan 8.290 nan 0.000 0.508 101 D N 0.032 120.399 120.400 -0.056 0.000 2.629 101 D HA 0.351 -13.569 4.640 -30.932 0.000 0.250 101 D C 1.588 177.922 176.300 0.056 0.000 1.126 101 D CA -0.626 53.366 54.000 -0.013 0.000 0.852 101 D CB 1.815 42.624 40.800 0.015 0.000 1.335 101 D HN 0.530 nan 8.370 nan 0.000 0.518 102 M N 2.511 122.130 119.600 0.033 0.000 2.460 102 M HA 0.036 -14.043 4.480 -30.932 0.000 0.263 102 M C 1.088 177.564 176.300 0.293 0.000 1.071 102 M CA 0.883 56.285 55.300 0.169 0.000 1.096 102 M CB 0.093 32.804 32.600 0.185 0.000 1.408 102 M HN 0.111 nan 8.290 nan 0.000 0.463 103 R N 0.801 121.386 120.500 0.141 0.000 2.189 103 R HA 0.023 -14.196 4.340 -30.932 0.000 0.218 103 R C -0.242 176.097 176.300 0.066 0.000 1.074 103 R CA 0.997 57.133 56.100 0.059 0.000 0.991 103 R CB -0.052 30.262 30.300 0.022 0.000 0.883 103 R HN 0.417 nan 8.270 nan 0.000 0.457 104 D N -0.321 120.169 120.400 0.150 0.000 2.491 104 D HA 0.108 -13.812 4.640 -30.932 0.000 0.232 104 D C -1.552 174.849 176.300 0.169 0.000 1.334 104 D CA -0.545 53.502 54.000 0.078 0.000 0.909 104 D CB 0.158 40.981 40.800 0.039 0.000 1.513 104 D HN -0.006 nan 8.370 nan 0.000 0.514 105 F N 0.354 120.302 119.950 -0.002 0.000 2.654 105 F HA 0.788 -13.245 4.527 -30.933 0.000 0.308 105 F C -1.502 174.339 175.800 0.068 0.000 1.108 105 F CA -0.942 57.048 58.000 -0.016 0.000 0.957 105 F CB 1.874 40.824 39.000 -0.084 0.000 1.309 105 F HN -0.009 nan 8.300 nan 0.000 0.446 106 S N 3.527 119.289 115.700 0.105 0.000 2.614 106 S HA 0.464 -13.625 4.470 -30.932 0.000 0.259 106 S C -0.672 174.049 174.600 0.202 0.000 1.118 106 S CA -0.616 57.655 58.200 0.120 0.000 1.065 106 S CB 0.618 63.823 63.200 0.008 0.000 1.121 106 S HN 0.876 nan 8.310 nan 0.000 0.458 107 L N 3.636 125.117 121.223 0.430 0.000 2.585 107 L HA 0.348 -13.871 4.340 -30.932 0.000 0.226 107 L C 1.867 178.835 176.870 0.165 0.000 1.113 107 L CA 0.431 55.398 54.840 0.212 0.000 0.876 107 L CB -0.169 42.051 42.059 0.268 0.000 1.072 107 L HN 0.992 nan 8.230 nan 0.000 0.468 108 G N 1.870 110.732 108.800 0.104 0.000 2.168 108 G HA2 -0.291 -14.891 3.960 -30.932 0.000 0.257 108 G HA3 -0.291 -14.891 3.960 -30.932 0.000 0.257 108 G C 0.321 175.216 174.900 -0.010 0.000 0.997 108 G CA 0.768 45.875 45.100 0.011 0.000 0.708 108 G HN 0.517 nan 8.290 nan 0.000 0.520 109 R N -1.864 118.648 120.500 0.020 0.000 2.781 109 R HA 0.844 -13.376 4.340 -30.932 0.000 0.269 109 R C -0.698 175.532 176.300 -0.117 0.000 1.025 109 R CA -1.213 54.828 56.100 -0.099 0.000 0.914 109 R CB 1.252 31.441 30.300 -0.185 0.000 1.236 109 R HN 0.166 nan 8.270 nan 0.000 0.465 110 R N 0.181 120.508 120.500 -0.288 0.000 2.854 110 R HA 0.583 -13.636 4.340 -30.932 0.000 0.271 110 R C -1.213 174.873 176.300 -0.356 0.000 0.994 110 R CA -0.678 55.354 56.100 -0.114 0.000 0.945 110 R CB 1.777 32.047 30.300 -0.051 0.000 1.194 110 R HN 0.359 nan 8.270 nan 0.000 0.476 111 F N -1.115 118.884 119.950 0.083 0.000 2.611 111 F HA 0.287 -13.744 4.527 -30.930 0.000 0.324 111 F C 1.286 177.128 175.800 0.069 0.000 1.061 111 F CA -0.740 57.302 58.000 0.070 0.000 0.954 111 F CB 2.074 41.104 39.000 0.051 0.000 1.301 111 F HN 0.441 nan 8.300 nan 0.000 0.482 112 S N 0.384 116.240 115.700 0.260 0.000 2.402 112 S HA 0.168 -13.921 4.470 -30.932 0.000 0.229 112 S C 0.529 175.246 174.600 0.195 0.000 1.021 112 S CA 1.021 59.349 58.200 0.212 0.000 0.974 112 S CB -0.132 63.219 63.200 0.252 0.000 0.800 112 S HN 0.624 nan 8.310 nan 0.000 0.484 113 A N 0.860 123.777 122.820 0.163 0.000 2.414 113 A HA 0.689 -13.551 4.320 -30.932 0.000 0.306 113 A C -1.052 176.512 177.584 -0.032 0.000 1.054 113 A CA -0.569 51.498 52.037 0.050 0.000 0.724 113 A CB 1.544 20.521 19.000 -0.037 0.000 1.267 113 A HN 0.067 nan 8.150 nan 0.000 0.418 114 V N 2.364 122.237 119.914 -0.069 0.000 2.409 114 V HA 0.659 -13.780 4.120 -30.932 0.000 0.291 114 V C 0.268 176.192 176.094 -0.284 0.000 1.020 114 V CA -0.131 62.038 62.300 -0.218 0.000 0.848 114 V CB 1.457 33.178 31.823 -0.169 0.000 0.990 114 V HN 1.112 nan 8.190 nan 0.000 0.430 115 T N 0.630 114.969 114.554 -0.359 0.000 2.912 115 T HA 0.653 -13.557 4.350 -30.932 0.000 0.288 115 T C -0.636 173.827 174.700 -0.395 0.000 1.030 115 T CA -0.786 61.125 62.100 -0.314 0.000 1.020 115 T CB 1.781 70.483 68.868 -0.277 0.000 1.056 115 T HN 0.723 nan 8.240 nan 0.000 0.480 116 C N 5.207 124.345 119.300 -0.270 0.000 2.679 116 C HA 0.673 -13.427 4.460 -30.932 0.000 0.354 116 C C -0.917 174.048 174.990 -0.041 0.000 1.067 116 C CA -0.674 58.235 59.018 -0.181 0.000 1.317 116 C CB -0.287 27.351 27.740 -0.170 0.000 1.843 116 C HN 0.945 nan 8.230 nan 0.000 0.459 117 M N 4.733 124.320 119.600 -0.023 0.000 2.705 117 M HA 0.542 -13.538 4.480 -30.932 0.000 0.311 117 M C 0.336 176.771 176.300 0.224 0.000 1.214 117 M CA -0.887 54.440 55.300 0.044 0.000 0.920 117 M CB 0.724 33.271 32.600 -0.089 0.000 1.687 117 M HN 0.736 nan 8.290 nan 0.000 0.481 118 F N 1.273 121.245 119.950 0.036 0.000 3.043 118 F HA -0.304 -14.328 4.527 -30.919 0.000 0.290 118 F C 0.441 176.291 175.800 0.083 0.000 0.844 118 F CA 1.025 59.058 58.000 0.054 0.000 1.184 118 F CB -2.061 36.989 39.000 0.083 0.000 1.246 118 F HN 0.809 nan 8.300 nan 0.000 0.536 119 S N -1.915 113.866 115.700 0.136 0.000 3.490 119 S HA -0.258 -14.347 4.470 -30.932 0.000 0.301 119 S C 1.336 175.965 174.600 0.049 0.000 1.233 119 S CA 0.943 59.222 58.200 0.131 0.000 0.914 119 S CB -1.785 61.560 63.200 0.243 0.000 1.047 119 S HN 0.684 nan 8.310 nan 0.000 0.602 120 S N 0.589 116.316 115.700 0.045 0.000 2.399 120 S HA -0.029 -14.118 4.470 -30.932 0.000 0.231 120 S C 1.695 176.339 174.600 0.073 0.000 1.022 120 S CA 1.153 59.353 58.200 -0.000 0.000 0.983 120 S CB -0.242 62.955 63.200 -0.006 0.000 0.803 120 S HN 0.589 nan 8.310 nan 0.000 0.480 121 I N 2.253 122.925 120.570 0.170 0.000 2.381 121 I HA -0.175 -14.564 4.170 -30.932 0.000 0.255 121 I C 2.056 178.353 176.117 0.300 0.000 1.140 121 I CA 1.053 62.506 61.300 0.254 0.000 1.404 121 I CB -0.517 37.692 38.000 0.348 0.000 1.075 121 I HN 0.318 nan 8.210 nan 0.000 0.433 122 G N -0.663 108.274 108.800 0.229 0.000 2.679 122 G HA2 -0.038 -14.638 3.960 -30.932 0.000 0.212 122 G HA3 -0.038 -14.638 3.960 -30.932 0.000 0.212 122 G C 1.590 176.489 174.900 -0.002 0.000 1.137 122 G CA 0.450 45.635 45.100 0.142 0.000 0.787 122 G HN 0.530 nan 8.290 nan 0.000 0.534 123 A N -0.052 122.781 122.820 0.023 0.000 2.206 123 A HA 0.413 -13.826 4.320 -30.932 0.000 0.211 123 A C 1.125 178.748 177.584 0.066 0.000 1.158 123 A CA -0.006 52.044 52.037 0.022 0.000 0.761 123 A CB -0.123 18.903 19.000 0.043 0.000 0.801 123 A HN 0.335 nan 8.150 nan 0.000 0.473 124 L N -1.648 119.660 121.223 0.142 0.000 2.418 124 L HA 0.373 -13.847 4.340 -30.932 0.000 0.265 124 L C 1.675 178.646 176.870 0.168 0.000 1.143 124 L CA -0.190 54.748 54.840 0.163 0.000 0.809 124 L CB 0.993 43.175 42.059 0.204 0.000 1.124 124 L HN 0.203 nan 8.230 nan 0.000 0.456 125 A N 1.603 124.495 122.820 0.120 0.000 1.935 125 A HA 0.416 -13.824 4.320 -30.932 0.000 0.214 125 A C 0.877 178.494 177.584 0.054 0.000 1.178 125 A CA 1.100 53.165 52.037 0.047 0.000 0.640 125 A CB -0.119 18.896 19.000 0.026 0.000 0.825 125 A HN 0.856 nan 8.150 nan 0.000 0.447 126 G N -2.721 106.199 108.800 0.200 0.000 2.548 126 G HA2 0.372 -14.227 3.960 -30.932 0.000 0.301 126 G HA3 0.372 -14.227 3.960 -30.932 0.000 0.301 126 G C 0.015 175.089 174.900 0.290 0.000 1.349 126 G CA 0.384 45.628 45.100 0.240 0.000 0.792 126 G HN -0.033 nan 8.290 nan 0.000 0.481 127 Q N -0.351 119.562 119.800 0.188 0.000 2.112 127 Q HA -0.098 -14.318 4.340 -30.932 0.000 0.206 127 Q C 2.651 178.621 176.000 -0.050 0.000 0.987 127 Q CA 3.406 59.219 55.803 0.017 0.000 0.858 127 Q CB -0.491 28.248 28.738 0.002 0.000 0.905 127 Q HN 0.792 nan 8.270 nan 0.000 0.420 128 A N 0.123 122.935 122.820 -0.013 0.000 1.873 128 A HA -0.199 -14.438 4.320 -30.932 0.000 0.215 128 A C 1.953 179.502 177.584 -0.058 0.000 1.186 128 A CA 1.587 53.600 52.037 -0.039 0.000 0.616 128 A CB -0.588 18.400 19.000 -0.021 0.000 0.823 128 A HN 0.536 nan 8.150 nan 0.000 0.442 129 E N -0.734 119.450 120.200 -0.026 0.000 2.077 129 E HA -0.201 -14.410 4.350 -30.932 0.000 0.193 129 E C 1.958 178.491 176.600 -0.112 0.000 0.989 129 E CA 1.220 57.597 56.400 -0.038 0.000 0.800 129 E CB -0.278 29.436 29.700 0.023 0.000 0.746 129 E HN 0.487 nan 8.360 nan 0.000 0.452 130 L N 1.787 122.907 121.223 -0.171 0.000 2.012 130 L HA -0.218 -14.438 4.340 -30.932 0.000 0.210 130 L C 1.592 178.265 176.870 -0.329 0.000 1.073 130 L CA 1.977 56.603 54.840 -0.357 0.000 0.748 130 L CB -0.379 41.242 42.059 -0.730 0.000 0.891 130 L HN -0.025 nan 8.230 nan 0.000 0.431 131 D N -0.267 119.982 120.400 -0.253 0.000 2.123 131 D HA -0.163 -14.082 4.640 -30.932 0.000 0.196 131 D C 2.186 178.349 176.300 -0.229 0.000 0.992 131 D CA 1.571 55.440 54.000 -0.219 0.000 0.833 131 D CB -0.248 40.464 40.800 -0.148 0.000 0.954 131 D HN 0.516 nan 8.370 nan 0.000 0.455 132 A N 0.706 123.410 122.820 -0.193 0.000 1.930 132 A HA 0.021 -14.218 4.320 -30.932 0.000 0.217 132 A C 2.266 179.700 177.584 -0.250 0.000 1.175 132 A CA 2.037 53.970 52.037 -0.174 0.000 0.627 132 A CB -0.583 18.351 19.000 -0.110 0.000 0.815 132 A HN 0.234 nan 8.150 nan 0.000 0.443 133 A N -0.570 122.047 122.820 -0.337 0.000 1.897 133 A HA 0.067 -14.172 4.320 -30.932 0.000 0.215 133 A C 2.022 179.001 177.584 -1.009 0.000 1.181 133 A CA 1.277 52.971 52.037 -0.572 0.000 0.620 133 A CB -0.446 18.230 19.000 -0.540 0.000 0.821 133 A HN 0.369 nan 8.150 nan 0.000 0.443 134 L N 0.054 120.797 121.223 -0.800 0.000 2.083 134 L HA -0.155 -14.374 4.340 -30.932 0.000 0.209 134 L C 2.582 179.183 176.870 -0.448 0.000 1.083 134 L CA 2.008 56.389 54.840 -0.764 0.000 0.752 134 L CB -1.041 40.660 42.059 -0.597 0.000 0.899 134 L HN 0.554 nan 8.230 nan 0.000 0.433 135 E N 0.152 120.154 120.200 -0.331 0.000 2.106 135 E HA -0.206 -14.416 4.350 -30.932 0.000 0.192 135 E C 2.092 178.601 176.600 -0.151 0.000 0.984 135 E CA 0.771 57.053 56.400 -0.196 0.000 0.806 135 E CB 0.215 29.817 29.700 -0.164 0.000 0.750 135 E HN 0.282 nan 8.360 nan 0.000 0.458 136 R N -0.086 120.300 120.500 -0.190 0.000 2.115 136 R HA -0.047 -14.267 4.340 -30.932 0.000 0.226 136 R C 2.243 178.654 176.300 0.185 0.000 1.100 136 R CA 0.546 56.569 56.100 -0.128 0.000 0.980 136 R CB -0.929 29.195 30.300 -0.294 0.000 0.875 136 R HN 0.242 nan 8.270 nan 0.000 0.445 137 F N 0.893 120.852 119.950 0.014 0.000 2.146 137 F HA 0.042 -13.993 4.527 -30.936 0.000 0.298 137 F C 2.431 178.257 175.800 0.043 0.000 1.096 137 F CA 0.438 58.474 58.000 0.060 0.000 1.275 137 F CB -1.360 37.609 39.000 -0.052 0.000 1.008 137 F HN 0.033 nan 8.300 nan 0.000 0.480 138 A N 0.116 123.023 122.820 0.145 0.000 1.933 138 A HA -0.008 -14.247 4.320 -30.932 0.000 0.218 138 A C 2.393 180.004 177.584 0.045 0.000 1.175 138 A CA 1.632 53.707 52.037 0.063 0.000 0.628 138 A CB -1.143 17.850 19.000 -0.013 0.000 0.814 138 A HN 0.255 nan 8.150 nan 0.000 0.444 139 A N -1.535 121.293 122.820 0.012 0.000 2.172 139 A HA -0.042 -14.282 4.320 -30.932 0.000 0.216 139 A C 1.485 178.924 177.584 -0.241 0.000 1.154 139 A CA 1.566 53.531 52.037 -0.120 0.000 0.701 139 A CB -0.606 18.268 19.000 -0.210 0.000 0.789 139 A HN 0.675 nan 8.150 nan 0.000 0.465 140 H N -2.527 116.588 119.070 0.075 0.000 2.784 140 H HA 0.408 -13.595 4.556 -30.932 0.000 0.273 140 H C -0.242 175.239 175.328 0.255 0.000 1.112 140 H CA -0.067 56.102 56.048 0.201 0.000 1.162 140 H CB 0.631 30.577 29.762 0.307 0.000 1.586 140 H HN 0.181 nan 8.280 nan 0.000 0.548 141 V N 1.592 121.637 119.914 0.218 0.000 2.532 141 V HA 0.281 -14.158 4.120 -30.932 0.000 0.295 141 V C -0.154 176.008 176.094 0.112 0.000 1.041 141 V CA -0.817 61.593 62.300 0.185 0.000 0.926 141 V CB 1.110 33.022 31.823 0.147 0.000 0.992 141 V HN 0.220 nan 8.190 nan 0.000 0.457 142 L N 7.122 128.410 121.223 0.107 0.000 2.466 142 L HA 0.334 -13.885 4.340 -30.932 0.000 0.257 142 L C -1.405 175.500 176.870 0.059 0.000 1.189 142 L CA -1.366 53.510 54.840 0.060 0.000 0.813 142 L CB 0.517 42.609 42.059 0.055 0.000 1.118 142 L HN 0.474 nan 8.230 nan 0.000 0.471 143 P HA -0.132 nan 4.420 nan 0.000 0.220 143 P C 0.126 177.456 177.300 0.050 0.000 1.148 143 P CA 1.058 64.180 63.100 0.038 0.000 0.803 143 P CB 0.057 31.771 31.700 0.024 0.000 0.782 144 D N -2.125 118.308 120.400 0.056 0.000 2.424 144 D HA 0.165 -13.755 4.640 -30.932 0.000 0.220 144 D C 1.003 177.356 176.300 0.088 0.000 1.150 144 D CA -0.234 53.806 54.000 0.066 0.000 0.831 144 D CB -0.438 40.396 40.800 0.056 0.000 0.981 144 D HN -0.015 nan 8.370 nan 0.000 0.500 145 G N -0.305 108.552 108.800 0.095 0.000 2.606 145 G HA2 0.547 -14.052 3.960 -30.932 0.000 0.262 145 G HA3 0.547 -14.052 3.960 -30.932 0.000 0.262 145 G C -0.889 174.081 174.900 0.116 0.000 1.394 145 G CA -0.617 44.554 45.100 0.119 0.000 1.044 145 G HN 0.239 nan 8.290 nan 0.000 0.553 146 V N -1.180 118.805 119.914 0.118 0.000 2.851 146 V HA 0.584 -13.855 4.120 -30.932 0.000 0.307 146 V C -1.186 174.962 176.094 0.089 0.000 1.129 146 V CA -0.665 61.692 62.300 0.095 0.000 0.932 146 V CB 1.981 33.858 31.823 0.090 0.000 1.024 146 V HN 0.551 nan 8.190 nan 0.000 0.426 147 V N 6.684 126.665 119.914 0.112 0.000 2.427 147 V HA 0.602 -13.838 4.120 -30.932 0.000 0.286 147 V C -0.314 175.888 176.094 0.180 0.000 1.034 147 V CA -0.410 61.962 62.300 0.120 0.000 0.893 147 V CB 1.740 33.657 31.823 0.157 0.000 0.982 147 V HN 0.702 nan 8.190 nan 0.000 0.452 148 V N 5.685 125.657 119.914 0.096 0.000 2.444 148 V HA 0.539 -13.901 4.120 -30.932 0.000 0.294 148 V C -0.408 175.765 176.094 0.131 0.000 1.022 148 V CA -0.542 61.827 62.300 0.116 0.000 0.850 148 V CB 1.925 33.757 31.823 0.015 0.000 0.992 148 V HN 0.587 nan 8.190 nan 0.000 0.426 149 V N 3.888 123.973 119.914 0.286 0.000 2.531 149 V HA 0.408 -14.032 4.120 -30.932 0.000 0.301 149 V C -0.087 176.145 176.094 0.229 0.000 1.034 149 V CA -0.670 61.797 62.300 0.278 0.000 0.865 149 V CB 1.961 34.062 31.823 0.463 0.000 0.995 149 V HN 0.961 nan 8.190 nan 0.000 0.424 150 E N 7.632 127.910 120.200 0.130 0.000 2.105 150 E HA 0.344 -13.866 4.350 -30.932 0.000 0.285 150 E C -2.353 174.311 176.600 0.107 0.000 1.055 150 E CA -1.756 54.695 56.400 0.084 0.000 0.843 150 E CB 1.426 31.156 29.700 0.050 0.000 1.067 150 E HN 0.438 nan 8.360 nan 0.000 0.398 151 P HA -0.013 nan 4.420 nan 0.000 0.276 151 P C -0.401 176.983 177.300 0.139 0.000 1.261 151 P CA -0.527 62.590 63.100 0.029 0.000 0.800 151 P CB 0.624 32.183 31.700 -0.234 0.000 1.066 152 W N 0.942 122.321 121.300 0.133 0.000 2.030 152 W HA 0.165 -13.753 4.660 -30.963 0.000 0.360 152 W C -0.361 176.072 176.519 -0.144 0.000 1.370 152 W CA -0.810 56.511 57.345 -0.040 0.000 1.433 152 W CB 0.299 29.829 29.460 0.118 0.000 1.204 152 W HN 0.305 nan 8.180 nan 0.000 0.649 153 W N 2.356 123.183 121.300 -0.789 0.000 2.293 153 W HA -0.038 -13.886 4.660 -30.847 0.000 0.342 153 W C -0.111 176.274 176.519 -0.224 0.000 1.274 153 W CA -0.441 56.512 57.345 -0.653 0.000 1.290 153 W CB -0.307 28.683 29.460 -0.784 0.000 1.176 153 W HN -0.074 nan 8.180 nan 0.000 0.570 154 F N 3.723 123.825 119.950 0.254 0.000 2.459 154 F HA 0.103 -13.932 4.527 -30.936 0.000 0.346 154 F C -0.831 175.090 175.800 0.201 0.000 1.128 154 F CA -2.690 55.444 58.000 0.222 0.000 1.268 154 F CB -0.693 38.400 39.000 0.155 0.000 1.161 154 F HN 0.161 nan 8.300 nan 0.000 0.583 155 P HA -0.236 nan 4.420 nan 0.000 0.216 155 P C 1.228 178.669 177.300 0.235 0.000 1.154 155 P CA 1.996 65.248 63.100 0.253 0.000 0.865 155 P CB -0.072 31.734 31.700 0.176 0.000 0.789 156 E N -0.377 119.953 120.200 0.215 0.000 2.427 156 E HA -0.099 -14.309 4.350 -30.932 0.000 0.196 156 E C 0.766 177.439 176.600 0.122 0.000 1.028 156 E CA 0.898 57.386 56.400 0.147 0.000 0.864 156 E CB -1.052 28.725 29.700 0.129 0.000 0.813 156 E HN 0.404 nan 8.360 nan 0.000 0.514 157 N N -0.242 118.562 118.700 0.173 0.000 2.205 157 N HA 0.107 -13.712 4.740 -30.932 0.000 0.201 157 N C -0.515 174.907 175.510 -0.148 0.000 1.128 157 N CA -0.404 52.690 53.050 0.074 0.000 0.867 157 N CB 0.236 38.866 38.487 0.239 0.000 0.996 157 N HN 0.030 nan 8.380 nan 0.000 0.503 158 F N 1.643 121.460 119.950 -0.222 0.000 2.384 158 F HA 0.330 4.807 4.527 -0.083 0.000 0.338 158 F C -0.107 175.503 175.800 -0.318 0.000 1.103 158 F CA -0.265 57.475 58.000 -0.434 0.000 1.157 158 F CB 0.986 39.868 39.000 -0.196 0.000 1.167 158 F HN -0.257 nan 8.300 nan 0.000 0.529 159 T N 7.952 121.704 114.554 -1.335 0.000 2.874 159 T HA 0.310 -13.899 4.350 -30.932 0.000 0.321 159 T C -2.589 171.362 174.700 -1.249 0.000 1.075 159 T CA -1.251 60.285 62.100 -0.941 0.000 0.966 159 T CB 0.718 69.294 68.868 -0.488 0.000 1.001 159 T HN 0.355 nan 8.240 nan 0.000 0.476 160 P HA 0.239 nan 4.420 nan 0.000 0.269 160 P C 1.050 178.197 177.300 -0.255 0.000 1.209 160 P CA 0.474 63.285 63.100 -0.482 0.000 0.776 160 P CB 0.551 32.191 31.700 -0.100 0.000 0.876 161 G N 0.880 109.568 108.800 -0.187 0.000 2.179 161 G HA2 -0.313 -14.912 3.960 -30.932 0.000 0.260 161 G HA3 -0.313 -14.912 3.960 -30.932 0.000 0.260 161 G C 0.020 174.850 174.900 -0.117 0.000 0.977 161 G CA -0.023 45.002 45.100 -0.124 0.000 0.641 161 G HN 0.603 nan 8.290 nan 0.000 0.533 162 Y N 0.887 121.031 120.300 -0.260 0.000 2.810 162 Y HA 0.344 -13.650 4.550 -30.907 0.000 0.332 162 Y C 0.477 176.335 175.900 -0.070 0.000 1.243 162 Y CA 0.729 58.731 58.100 -0.164 0.000 1.537 162 Y CB 0.651 38.997 38.460 -0.191 0.000 1.265 162 Y HN 0.167 nan 8.280 nan 0.000 0.572 163 V N 6.212 125.887 119.914 -0.399 0.000 2.487 163 V HA 0.742 -13.698 4.120 -30.932 0.000 0.298 163 V C -0.429 175.527 176.094 -0.230 0.000 1.028 163 V CA -0.581 61.635 62.300 -0.140 0.000 0.860 163 V CB 1.270 33.051 31.823 -0.071 0.000 0.991 163 V HN 0.929 nan 8.190 nan 0.000 0.427 164 A N 4.012 126.870 122.820 0.063 0.000 2.350 164 A HA 1.011 -13.228 4.320 -30.932 0.000 0.324 164 A C -0.330 177.288 177.584 0.057 0.000 1.118 164 A CA -0.280 51.820 52.037 0.105 0.000 0.783 164 A CB 1.716 20.898 19.000 0.303 0.000 1.236 164 A HN 1.525 nan 8.150 nan 0.000 0.457 165 A N 1.051 123.888 122.820 0.029 0.000 2.459 165 A HA 0.879 -13.361 4.320 -30.932 0.000 0.296 165 A C -0.247 177.347 177.584 0.017 0.000 1.039 165 A CA 0.119 52.163 52.037 0.012 0.000 0.698 165 A CB 1.401 20.399 19.000 -0.003 0.000 1.261 165 A HN 2.307 nan 8.150 nan 0.000 0.405 166 G N 0.020 108.828 108.800 0.014 0.000 2.698 166 G HA2 0.660 -13.939 3.960 -30.932 0.000 0.293 166 G HA3 0.660 -13.939 3.960 -30.932 0.000 0.293 166 G C -1.205 173.708 174.900 0.022 0.000 1.437 166 G CA -0.344 44.768 45.100 0.020 0.000 0.852 166 G HN 0.796 nan 8.290 nan 0.000 0.499 167 T N -0.129 114.441 114.554 0.027 0.000 2.886 167 T HA 0.689 -13.520 4.350 -30.932 0.000 0.292 167 T C -1.072 173.649 174.700 0.035 0.000 1.012 167 T CA -0.472 61.650 62.100 0.035 0.000 0.982 167 T CB 1.826 70.715 68.868 0.034 0.000 1.018 167 T HN 0.973 nan 8.240 nan 0.000 0.451 168 V N 2.877 122.815 119.914 0.041 0.000 3.078 168 V HA 0.858 -13.582 4.120 -30.932 0.000 0.311 168 V C -1.842 174.275 176.094 0.039 0.000 1.138 168 V CA -0.897 61.425 62.300 0.037 0.000 1.007 168 V CB 2.324 34.169 31.823 0.037 0.000 1.045 168 V HN 1.029 nan 8.190 nan 0.000 0.432 169 E N 3.794 124.014 120.200 0.033 0.000 2.314 169 E HA 0.858 -13.351 4.350 -30.932 0.000 0.272 169 E C -1.081 175.535 176.600 0.026 0.000 0.884 169 E CA -0.917 55.502 56.400 0.031 0.000 0.753 169 E CB 2.280 31.997 29.700 0.029 0.000 1.213 169 E HN 1.092 nan 8.360 nan 0.000 0.432 170 A N 1.555 124.390 122.820 0.025 0.000 2.466 170 A HA 0.665 -13.575 4.320 -30.932 0.000 0.284 170 A C 0.458 178.053 177.584 0.018 0.000 1.049 170 A CA -0.222 51.828 52.037 0.021 0.000 0.760 170 A CB 0.927 19.940 19.000 0.021 0.000 1.274 170 A HN 1.381 nan 8.150 nan 0.000 0.412 171 G N 1.010 109.819 108.800 0.015 0.000 2.272 171 G HA2 0.219 -14.380 3.960 -30.932 0.000 0.280 171 G HA3 0.219 -14.380 3.960 -30.932 0.000 0.280 171 G C 1.640 176.548 174.900 0.014 0.000 1.067 171 G CA 1.415 46.522 45.100 0.012 0.000 0.902 171 G HN 2.939 nan 8.290 nan 0.000 0.500 172 G N -2.360 106.449 108.800 0.016 0.000 2.268 172 G HA2 -0.090 -14.689 3.960 -30.932 0.000 0.240 172 G HA3 -0.090 -14.689 3.960 -30.932 0.000 0.240 172 G C 0.476 175.389 174.900 0.022 0.000 1.010 172 G CA 0.791 45.901 45.100 0.017 0.000 0.618 172 G HN 1.760 nan 8.290 nan 0.000 0.516 173 T N 2.143 116.711 114.554 0.024 0.000 2.795 173 T HA 0.595 -13.614 4.350 -30.932 0.000 0.282 173 T C 0.045 174.767 174.700 0.037 0.000 0.980 173 T CA 0.314 62.432 62.100 0.031 0.000 1.012 173 T CB 1.823 70.708 68.868 0.028 0.000 0.936 173 T HN 0.236 nan 8.240 nan 0.000 0.457 174 T N 2.770 117.351 114.554 0.046 0.000 2.829 174 T HA 0.582 -13.627 4.350 -30.932 0.000 0.282 174 T C -0.410 174.333 174.700 0.072 0.000 0.990 174 T CA -0.565 61.567 62.100 0.053 0.000 1.028 174 T CB 1.025 69.923 68.868 0.050 0.000 0.951 174 T HN 0.349 nan 8.240 nan 0.000 0.460 175 V N 3.253 123.215 119.914 0.079 0.000 2.569 175 V HA 0.456 -13.983 4.120 -30.932 0.000 0.301 175 V C -0.043 176.119 176.094 0.113 0.000 1.044 175 V CA -0.763 61.607 62.300 0.116 0.000 0.874 175 V CB 2.139 34.032 31.823 0.117 0.000 1.002 175 V HN 0.965 nan 8.190 nan 0.000 0.424 176 T N 5.331 119.964 114.554 0.132 0.000 2.855 176 T HA 0.625 -13.585 4.350 -30.932 0.000 0.281 176 T C -0.383 174.359 174.700 0.069 0.000 1.007 176 T CA -0.523 61.628 62.100 0.086 0.000 1.009 176 T CB 1.452 70.368 68.868 0.080 0.000 0.983 176 T HN 0.681 nan 8.240 nan 0.000 0.455 177 R N 2.215 122.697 120.500 -0.031 0.000 2.575 177 R HA 0.711 -13.509 4.340 -30.932 0.000 0.293 177 R C -2.040 174.183 176.300 -0.128 0.000 0.983 177 R CA -0.533 55.424 56.100 -0.237 0.000 0.887 177 R CB 1.265 31.380 30.300 -0.307 0.000 1.184 177 R HN 0.457 nan 8.270 nan 0.000 0.445 178 V N 3.190 123.039 119.914 -0.108 0.000 2.638 178 V HA 0.455 -13.984 4.120 -30.932 0.000 0.306 178 V C -0.564 175.554 176.094 0.040 0.000 1.052 178 V CA -0.678 61.618 62.300 -0.008 0.000 0.885 178 V CB 1.967 33.799 31.823 0.015 0.000 0.999 178 V HN 0.951 nan 8.190 nan 0.000 0.424 179 S N 3.328 119.088 115.700 0.100 0.000 2.566 179 S HA 0.745 -13.344 4.470 -30.932 0.000 0.298 179 S C -1.045 173.701 174.600 0.244 0.000 1.083 179 S CA -0.613 57.694 58.200 0.177 0.000 0.978 179 S CB 2.115 65.433 63.200 0.197 0.000 1.073 179 S HN 0.927 nan 8.310 nan 0.000 0.491 180 H N 0.641 119.811 119.070 0.167 0.000 2.806 180 H HA 0.611 -13.370 4.556 -30.895 0.000 0.367 180 H C -1.609 173.849 175.328 0.216 0.000 1.136 180 H CA -0.495 55.650 56.048 0.163 0.000 1.178 180 H CB 2.127 31.949 29.762 0.101 0.000 1.718 180 H HN 0.703 nan 8.280 nan 0.000 0.540 181 S N 2.085 117.569 115.700 -0.361 0.000 2.526 181 S HA 0.536 -13.553 4.470 -30.932 0.000 0.293 181 S C -0.875 173.701 174.600 -0.041 0.000 1.092 181 S CA -0.616 57.596 58.200 0.020 0.000 0.980 181 S CB 1.958 65.362 63.200 0.341 0.000 1.048 181 S HN 0.612 nan 8.310 nan 0.000 0.483 182 S N 1.059 116.884 115.700 0.207 0.000 2.667 182 S HA 0.618 -13.472 4.470 -30.932 0.000 0.292 182 S C -0.696 174.102 174.600 0.330 0.000 1.126 182 S CA -0.893 57.456 58.200 0.248 0.000 0.881 182 S CB 1.446 64.774 63.200 0.213 0.000 1.132 182 S HN 0.606 nan 8.310 nan 0.000 0.492 183 R N 1.947 122.637 120.500 0.318 0.000 2.308 183 R HA 0.388 -13.831 4.340 -30.932 0.000 0.305 183 R C -0.614 175.759 176.300 0.121 0.000 1.053 183 R CA -0.021 56.222 56.100 0.239 0.000 0.957 183 R CB 0.348 30.804 30.300 0.261 0.000 1.022 183 R HN 0.731 nan 8.270 nan 0.000 0.461 184 E N 3.794 124.028 120.200 0.056 0.000 2.460 184 E HA 0.364 -13.845 4.350 -30.932 0.000 0.249 184 E C -0.082 176.523 176.600 0.009 0.000 0.962 184 E CA 0.029 56.450 56.400 0.036 0.000 0.787 184 E CB 0.487 30.203 29.700 0.028 0.000 1.341 184 E HN 0.891 nan 8.360 nan 0.000 0.407 185 G N 4.220 113.030 108.800 0.017 0.000 2.583 185 G HA2 -0.320 -14.920 3.960 -30.932 0.000 0.292 185 G HA3 -0.320 -14.920 3.960 -30.932 0.000 0.292 185 G C 0.307 175.204 174.900 -0.005 0.000 1.203 185 G CA 0.331 45.433 45.100 0.002 0.000 0.987 185 G HN 0.586 nan 8.290 nan 0.000 0.554 186 E N 2.186 122.364 120.200 -0.036 0.000 2.349 186 E HA 0.582 -13.628 4.350 -30.932 0.000 0.201 186 E C 0.744 177.285 176.600 -0.098 0.000 1.087 186 E CA 0.779 57.147 56.400 -0.053 0.000 1.128 186 E CB 0.132 29.788 29.700 -0.075 0.000 1.188 186 E HN 1.042 nan 8.360 nan 0.000 0.445 187 A N -0.380 122.389 122.820 -0.084 0.000 2.569 187 A HA 0.667 -13.572 4.320 -30.932 0.000 0.290 187 A C -0.324 177.180 177.584 -0.133 0.000 1.136 187 A CA -0.606 51.360 52.037 -0.119 0.000 0.710 187 A CB 1.334 20.250 19.000 -0.139 0.000 1.303 187 A HN 0.003 nan 8.150 nan 0.000 0.413 188 T N 1.182 115.634 114.554 -0.170 0.000 2.799 188 T HA 0.497 -13.712 4.350 -30.932 0.000 0.286 188 T C 0.002 174.656 174.700 -0.077 0.000 0.973 188 T CA -0.106 61.862 62.100 -0.219 0.000 1.035 188 T CB 0.593 69.380 68.868 -0.136 0.000 0.932 188 T HN 0.580 nan 8.240 nan 0.000 0.469 189 R N 3.494 124.004 120.500 0.016 0.000 2.207 189 R HA 0.517 -13.702 4.340 -30.932 0.000 0.334 189 R C -1.025 175.345 176.300 0.117 0.000 1.013 189 R CA -0.694 55.438 56.100 0.053 0.000 0.858 189 R CB -0.250 30.097 30.300 0.079 0.000 1.094 189 R HN 0.711 nan 8.270 nan 0.000 0.457 190 I N 2.895 123.533 120.570 0.114 0.000 2.389 190 I HA 0.370 -14.020 4.170 -30.932 0.000 0.288 190 I C -0.846 175.371 176.117 0.166 0.000 0.999 190 I CA -0.567 60.839 61.300 0.177 0.000 1.129 190 I CB 1.164 39.285 38.000 0.202 0.000 1.288 190 I HN 0.723 nan 8.210 nan 0.000 0.444 191 E N 6.840 127.161 120.200 0.202 0.000 2.171 191 E HA 0.573 -13.637 4.350 -30.932 0.000 0.271 191 E C -1.790 174.953 176.600 0.237 0.000 0.916 191 E CA -0.701 55.815 56.400 0.193 0.000 0.774 191 E CB 1.880 31.720 29.700 0.233 0.000 1.128 191 E HN 0.461 nan 8.360 nan 0.000 0.403 192 V N 4.941 124.956 119.914 0.170 0.000 2.483 192 V HA 0.359 -14.080 4.120 -30.932 0.000 0.297 192 V C -0.550 175.569 176.094 0.041 0.000 1.027 192 V CA -0.817 61.548 62.300 0.108 0.000 0.855 192 V CB 1.516 33.387 31.823 0.080 0.000 0.995 192 V HN 0.721 nan 8.190 nan 0.000 0.424 193 H N 3.302 122.332 119.070 -0.066 0.000 2.569 193 H HA 0.629 -13.376 4.556 -30.936 0.000 0.357 193 H C -1.631 173.632 175.328 -0.109 0.000 1.153 193 H CA -0.407 55.675 56.048 0.056 0.000 1.193 193 H CB 2.657 32.535 29.762 0.193 0.000 1.602 193 H HN 0.599 nan 8.280 nan 0.000 0.523 194 Y N 1.111 121.542 120.300 0.219 0.000 2.477 194 Y HA 0.369 -13.639 4.550 -30.930 0.000 0.347 194 Y C -0.364 175.700 175.900 0.274 0.000 0.981 194 Y CA -0.837 57.384 58.100 0.202 0.000 1.033 194 Y CB 2.041 40.597 38.460 0.161 0.000 1.245 194 Y HN 0.234 nan 8.280 nan 0.000 0.455 195 L N 3.713 125.159 121.223 0.372 0.000 2.341 195 L HA 0.761 -13.459 4.340 -30.932 0.000 0.278 195 L C -1.189 175.834 176.870 0.255 0.000 1.005 195 L CA -1.133 53.886 54.840 0.298 0.000 0.818 195 L CB 1.829 44.005 42.059 0.195 0.000 1.259 195 L HN 0.331 nan 8.230 nan 0.000 0.418 196 V N 2.192 122.251 119.914 0.242 0.000 2.483 196 V HA 0.793 -13.647 4.120 -30.932 0.000 0.297 196 V C -0.242 175.931 176.094 0.131 0.000 1.027 196 V CA -0.443 61.961 62.300 0.174 0.000 0.855 196 V CB 1.686 33.608 31.823 0.165 0.000 0.995 196 V HN 0.860 nan 8.190 nan 0.000 0.424 197 A N 3.423 126.300 122.820 0.093 0.000 2.422 197 A HA 1.006 -13.234 4.320 -30.932 0.000 0.302 197 A C -0.132 177.484 177.584 0.054 0.000 1.041 197 A CA -0.072 52.008 52.037 0.071 0.000 0.708 197 A CB 2.010 21.048 19.000 0.063 0.000 1.257 197 A HN 1.226 nan 8.150 nan 0.000 0.414 198 G N 1.039 109.866 108.800 0.045 0.000 2.690 198 G HA2 0.605 -13.994 3.960 -30.932 0.000 0.291 198 G HA3 0.605 -13.994 3.960 -30.932 0.000 0.291 198 G C -2.467 172.450 174.900 0.029 0.000 1.403 198 G CA -1.255 43.865 45.100 0.034 0.000 0.864 198 G HN 0.311 nan 8.290 nan 0.000 0.480 199 P HA -0.057 nan 4.420 nan 0.000 0.215 199 P C 0.816 178.128 177.300 0.019 0.000 1.157 199 P CA 1.229 64.341 63.100 0.020 0.000 0.874 199 P CB 0.414 32.124 31.700 0.016 0.000 0.790 200 D N -1.793 118.618 120.400 0.018 0.000 2.277 200 D HA -0.011 -13.931 4.640 -30.932 0.000 0.209 200 D C 1.971 178.283 176.300 0.020 0.000 0.970 200 D CA 0.639 54.649 54.000 0.017 0.000 0.874 200 D CB -0.268 40.540 40.800 0.014 0.000 0.982 200 D HN 0.303 nan 8.370 nan 0.000 0.504 201 R N 0.323 120.838 120.500 0.024 0.000 2.276 201 R HA 0.296 -13.923 4.340 -30.932 0.000 0.196 201 R C 1.174 177.494 176.300 0.035 0.000 0.961 201 R CA 0.731 56.849 56.100 0.029 0.000 1.024 201 R CB 0.040 30.360 30.300 0.034 0.000 0.940 201 R HN 0.022 nan 8.270 nan 0.000 0.480 202 G N 1.518 110.338 108.800 0.034 0.000 2.542 202 G HA2 -0.271 -14.870 3.960 -30.932 0.000 0.235 202 G HA3 -0.271 -14.870 3.960 -30.932 0.000 0.235 202 G C -0.744 174.185 174.900 0.048 0.000 1.286 202 G CA -0.077 45.044 45.100 0.036 0.000 0.904 202 G HN 0.345 nan 8.290 nan 0.000 0.577 203 I N 1.179 121.779 120.570 0.050 0.000 2.545 203 I HA 0.741 -13.649 4.170 -30.932 0.000 0.292 203 I C 0.339 176.498 176.117 0.070 0.000 1.040 203 I CA 0.107 61.447 61.300 0.067 0.000 1.068 203 I CB 2.097 40.131 38.000 0.057 0.000 1.251 203 I HN 1.291 nan 8.210 nan 0.000 0.424 204 T N 2.513 117.128 114.554 0.102 0.000 2.901 204 T HA 0.434 -13.775 4.350 -30.932 0.000 0.293 204 T C -1.042 173.691 174.700 0.055 0.000 1.084 204 T CA -0.671 61.456 62.100 0.045 0.000 1.008 204 T CB 1.610 70.500 68.868 0.036 0.000 1.170 204 T HN 0.714 nan 8.240 nan 0.000 0.509 205 H N 0.935 119.880 119.070 -0.208 0.000 2.495 205 H HA 0.439 -13.565 4.556 -30.934 0.000 0.348 205 H C -1.089 173.976 175.328 -0.438 0.000 1.113 205 H CA -0.643 55.326 56.048 -0.132 0.000 1.195 205 H CB 1.219 30.964 29.762 -0.027 0.000 1.521 205 H HN 0.716 nan 8.280 nan 0.000 0.509 206 H N 2.686 121.551 119.070 -0.341 0.000 2.747 206 H HA 0.248 -13.756 4.556 -30.934 0.000 0.371 206 H C -0.556 174.529 175.328 -0.405 0.000 1.161 206 H CA -0.797 55.049 56.048 -0.336 0.000 1.167 206 H CB 2.664 32.309 29.762 -0.196 0.000 1.732 206 H HN 0.769 nan 8.280 nan 0.000 0.544 207 E N 0.769 120.819 120.200 -0.250 0.000 2.383 207 E HA 0.479 -13.731 4.350 -30.932 0.000 0.275 207 E C -1.151 175.369 176.600 -0.134 0.000 0.918 207 E CA -0.988 55.251 56.400 -0.269 0.000 0.764 207 E CB 3.093 32.416 29.700 -0.629 0.000 1.252 207 E HN 0.750 nan 8.360 nan 0.000 0.449 208 E N 0.821 120.964 120.200 -0.096 0.000 2.456 208 E HA 0.676 -13.533 4.350 -30.932 0.000 0.276 208 E C -1.289 175.186 176.600 -0.209 0.000 0.981 208 E CA -1.151 55.152 56.400 -0.162 0.000 0.814 208 E CB 2.220 31.859 29.700 -0.101 0.000 1.382 208 E HN 0.363 nan 8.360 nan 0.000 0.459 209 S N -0.098 115.345 115.700 -0.428 0.000 2.543 209 S HA 0.375 -13.714 4.470 -30.932 0.000 0.273 209 S C -1.850 172.419 174.600 -0.553 0.000 1.152 209 S CA -0.644 57.371 58.200 -0.309 0.000 0.910 209 S CB 0.988 64.092 63.200 -0.160 0.000 1.105 209 S HN 0.563 nan 8.310 nan 0.000 0.465 210 H N 2.032 121.069 119.070 -0.055 0.000 2.851 210 H HA 0.470 -13.537 4.556 -30.939 0.000 0.372 210 H C -0.539 174.733 175.328 -0.093 0.000 1.158 210 H CA -0.721 55.276 56.048 -0.086 0.000 1.159 210 H CB 1.888 31.587 29.762 -0.105 0.000 1.757 210 H HN 0.652 nan 8.280 nan 0.000 0.546 211 R N 2.605 123.111 120.500 0.011 0.000 2.338 211 R HA 0.520 -13.699 4.340 -30.932 0.000 0.317 211 R C -1.099 175.106 176.300 -0.159 0.000 0.968 211 R CA -0.462 55.597 56.100 -0.068 0.000 0.849 211 R CB 0.416 30.683 30.300 -0.055 0.000 1.128 211 R HN 0.507 nan 8.270 nan 0.000 0.448 212 I N 3.692 124.076 120.570 -0.310 0.000 2.447 212 I HA 0.208 -14.181 4.170 -30.932 0.000 0.287 212 I C -0.139 175.699 176.117 -0.464 0.000 1.023 212 I CA -0.864 60.097 61.300 -0.564 0.000 1.083 212 I CB 2.320 39.565 38.000 -1.259 0.000 1.245 212 I HN 0.580 nan 8.210 nan 0.000 0.434 213 T N 6.854 121.199 114.554 -0.348 0.000 2.901 213 T HA 0.287 -13.923 4.350 -30.932 0.000 0.301 213 T C 0.473 175.076 174.700 -0.161 0.000 1.012 213 T CA -0.122 61.739 62.100 -0.399 0.000 1.135 213 T CB 0.536 68.864 68.868 -0.900 0.000 0.936 213 T HN 0.334 nan 8.240 nan 0.000 0.539 214 L N 4.384 125.546 121.223 -0.102 0.000 2.536 214 L HA 0.317 -13.902 4.340 -30.932 0.000 0.242 214 L C -0.252 176.652 176.870 0.056 0.000 1.280 214 L CA -0.511 54.416 54.840 0.144 0.000 1.221 214 L CB -0.768 41.363 42.059 0.119 0.000 1.449 214 L HN 0.533 nan 8.230 nan 0.000 0.405 215 F N 0.311 120.340 119.950 0.133 0.000 2.553 215 F HA 0.102 -13.923 4.527 -30.919 0.000 0.356 215 F C 1.590 177.437 175.800 0.079 0.000 1.142 215 F CA -0.297 57.641 58.000 -0.104 0.000 1.322 215 F CB 0.501 39.096 39.000 -0.675 0.000 1.126 215 F HN 0.267 nan 8.300 nan 0.000 0.599 216 T N -0.487 114.167 114.554 0.167 0.000 2.847 216 T HA 0.270 -13.939 4.350 -30.932 0.000 0.279 216 T C 1.330 176.015 174.700 -0.024 0.000 0.984 216 T CA -0.800 61.330 62.100 0.050 0.000 0.988 216 T CB 1.142 69.993 68.868 -0.028 0.000 1.040 216 T HN 0.700 nan 8.240 nan 0.000 0.528 217 R N 0.762 120.986 120.500 -0.460 0.000 2.083 217 R HA -0.185 -14.404 4.340 -30.932 0.000 0.237 217 R C 2.341 178.597 176.300 -0.073 0.000 1.137 217 R CA 2.292 58.165 56.100 -0.378 0.000 0.951 217 R CB -0.490 29.314 30.300 -0.825 0.000 0.851 217 R HN 0.946 nan 8.270 nan 0.000 0.434 218 E N 0.134 120.268 120.200 -0.110 0.000 2.118 218 E HA -0.271 -14.480 4.350 -30.932 0.000 0.195 218 E C 2.043 178.611 176.600 -0.053 0.000 0.992 218 E CA 1.370 57.736 56.400 -0.058 0.000 0.804 218 E CB -0.317 29.351 29.700 -0.054 0.000 0.741 218 E HN 0.521 nan 8.360 nan 0.000 0.458 219 Q N -0.166 119.590 119.800 -0.073 0.000 2.079 219 Q HA -0.144 -14.363 4.340 -30.932 0.000 0.200 219 Q C 1.832 177.696 176.000 -0.227 0.000 0.974 219 Q CA 1.465 57.187 55.803 -0.135 0.000 0.840 219 Q CB -0.177 28.498 28.738 -0.104 0.000 0.898 219 Q HN 0.392 nan 8.270 nan 0.000 0.430 220 Y N 1.135 121.310 120.300 -0.207 0.000 2.163 220 Y HA -0.185 -14.203 4.550 -30.947 0.000 0.288 220 Y C 2.118 177.891 175.900 -0.211 0.000 1.136 220 Y CA 1.217 59.109 58.100 -0.347 0.000 1.147 220 Y CB -0.159 37.818 38.460 -0.806 0.000 0.987 220 Y HN 0.136 nan 8.280 nan 0.000 0.509 221 E N -0.143 120.022 120.200 -0.058 0.000 2.085 221 E HA -0.237 -14.447 4.350 -30.932 0.000 0.194 221 E C 2.292 178.923 176.600 0.053 0.000 0.994 221 E CA 1.145 57.538 56.400 -0.012 0.000 0.801 221 E CB -0.185 29.521 29.700 0.011 0.000 0.743 221 E HN 0.435 nan 8.360 nan 0.000 0.453 222 R N 0.246 120.750 120.500 0.006 0.000 2.081 222 R HA -0.120 -14.339 4.340 -30.932 0.000 0.235 222 R C 2.389 178.685 176.300 -0.007 0.000 1.131 222 R CA 1.156 57.253 56.100 -0.006 0.000 0.960 222 R CB -0.329 29.948 30.300 -0.039 0.000 0.856 222 R HN 0.121 nan 8.270 nan 0.000 0.436 223 A N 0.607 123.408 122.820 -0.032 0.000 1.898 223 A HA -0.144 -14.384 4.320 -30.932 0.000 0.216 223 A C 1.913 179.476 177.584 -0.036 0.000 1.181 223 A CA 1.119 53.106 52.037 -0.084 0.000 0.620 223 A CB -0.562 18.323 19.000 -0.192 0.000 0.819 223 A HN 0.175 nan 8.150 nan 0.000 0.442 224 F N 0.629 120.520 119.950 -0.099 0.000 2.102 224 F HA -0.144 -14.179 4.527 -30.936 0.000 0.298 224 F C 2.818 178.599 175.800 -0.031 0.000 1.105 224 F CA 2.056 60.027 58.000 -0.048 0.000 1.239 224 F CB -0.900 38.090 39.000 -0.016 0.000 0.991 224 F HN 0.143 nan 8.300 nan 0.000 0.474 225 T N -0.371 114.286 114.554 0.172 0.000 2.777 225 T HA -0.154 -14.363 4.350 -30.932 0.000 0.266 225 T C 2.213 176.936 174.700 0.038 0.000 1.040 225 T CA 1.230 63.387 62.100 0.094 0.000 1.141 225 T CB -0.660 68.246 68.868 0.064 0.000 0.868 225 T HN 0.276 nan 8.240 nan 0.000 0.444 226 A N 1.133 123.957 122.820 0.006 0.000 2.070 226 A HA 0.201 -14.039 4.320 -30.932 0.000 0.220 226 A C 2.326 179.886 177.584 -0.040 0.000 1.159 226 A CA 1.549 53.571 52.037 -0.025 0.000 0.656 226 A CB -0.645 18.326 19.000 -0.049 0.000 0.800 226 A HN 0.501 nan 8.150 nan 0.000 0.453 227 A N -2.005 120.787 122.820 -0.047 0.000 2.251 227 A HA 0.437 -13.803 4.320 -30.932 0.000 0.209 227 A C 1.670 179.240 177.584 -0.024 0.000 1.187 227 A CA 1.080 53.078 52.037 -0.066 0.000 0.823 227 A CB -0.739 18.182 19.000 -0.132 0.000 0.846 227 A HN 1.821 nan 8.150 nan 0.000 0.486 228 G N -1.310 107.494 108.800 0.007 0.000 2.141 228 G HA2 -0.183 -14.783 3.960 -30.932 0.000 0.242 228 G HA3 -0.183 -14.783 3.960 -30.932 0.000 0.242 228 G C -0.065 174.866 174.900 0.052 0.000 0.982 228 G CA 0.243 45.356 45.100 0.022 0.000 0.662 228 G HN 0.423 nan 8.290 nan 0.000 0.527 229 L N 1.815 123.091 121.223 0.088 0.000 2.317 229 L HA 0.630 -13.590 4.340 -30.932 0.000 0.281 229 L C 1.221 178.194 176.870 0.172 0.000 1.024 229 L CA -0.458 54.473 54.840 0.151 0.000 0.810 229 L CB 1.818 44.022 42.059 0.241 0.000 1.240 229 L HN 0.374 nan 8.230 nan 0.000 0.427 230 S N 2.078 117.860 115.700 0.137 0.000 2.600 230 S HA 0.540 -13.549 4.470 -30.932 0.000 0.265 230 S C -0.404 174.269 174.600 0.122 0.000 1.325 230 S CA -0.678 57.587 58.200 0.108 0.000 1.002 230 S CB 2.018 65.263 63.200 0.074 0.000 0.921 230 S HN 0.410 nan 8.310 nan 0.000 0.554 231 V N 0.643 120.588 119.914 0.052 0.000 2.841 231 V HA 0.706 -13.734 4.120 -30.932 0.000 0.310 231 V C -1.338 174.743 176.094 -0.022 0.000 1.090 231 V CA -0.562 61.700 62.300 -0.063 0.000 0.930 231 V CB 1.850 33.549 31.823 -0.207 0.000 1.014 231 V HN 1.141 nan 8.190 nan 0.000 0.425 232 E N 4.642 124.820 120.200 -0.037 0.000 2.290 232 E HA 0.441 -13.768 4.350 -30.932 0.000 0.274 232 E C -2.081 174.519 176.600 -0.001 0.000 0.889 232 E CA -0.667 55.739 56.400 0.010 0.000 0.760 232 E CB 2.004 31.694 29.700 -0.016 0.000 1.206 232 E HN 0.652 nan 8.360 nan 0.000 0.419 233 F N 5.336 125.171 119.950 -0.191 0.000 2.421 233 F HA 0.511 -13.521 4.527 -30.933 0.000 0.337 233 F C -0.851 174.783 175.800 -0.277 0.000 1.105 233 F CA -0.654 57.059 58.000 -0.479 0.000 1.049 233 F CB 0.912 39.576 39.000 -0.559 0.000 1.139 233 F HN 0.323 nan 8.300 nan 0.000 0.479 234 M N 8.415 127.299 119.600 -1.192 0.000 2.197 234 M HA 0.342 -13.737 4.480 -30.932 0.000 0.301 234 M C -2.619 172.933 176.300 -1.246 0.000 0.987 234 M CA -2.154 52.598 55.300 -0.915 0.000 0.921 234 M CB 1.537 33.873 32.600 -0.440 0.000 1.569 234 M HN 0.322 nan 8.290 nan 0.000 0.431 235 P HA 0.342 nan 4.420 nan 0.000 0.272 235 P C 0.678 177.809 177.300 -0.281 0.000 1.240 235 P CA 0.765 63.602 63.100 -0.438 0.000 0.791 235 P CB 0.999 32.669 31.700 -0.048 0.000 0.978 236 G N -0.090 108.618 108.800 -0.155 0.000 2.972 236 G HA2 0.113 -14.486 3.960 -30.932 0.000 0.265 236 G HA3 0.113 -14.486 3.960 -30.932 0.000 0.265 236 G C 0.418 175.226 174.900 -0.154 0.000 1.506 236 G CA 0.434 45.461 45.100 -0.122 0.000 1.016 236 G HN 1.081 nan 8.290 nan 0.000 0.563 237 G N 0.129 108.832 108.800 -0.162 0.000 2.749 237 G HA2 0.142 -14.458 3.960 -30.932 0.000 0.242 237 G HA3 0.142 -14.458 3.960 -30.932 0.000 0.242 237 G C -0.719 174.112 174.900 -0.115 0.000 1.364 237 G CA 0.847 45.854 45.100 -0.155 0.000 0.888 237 G HN 1.233 nan 8.290 nan 0.000 0.566 238 P HA 0.060 nan 4.420 nan 0.000 0.216 238 P C 1.486 178.741 177.300 -0.074 0.000 1.150 238 P CA 2.093 65.137 63.100 -0.093 0.000 0.837 238 P CB 0.040 31.684 31.700 -0.094 0.000 0.786 239 S N -2.705 112.953 115.700 -0.070 0.000 2.650 239 S HA 0.443 -13.647 4.470 -30.932 0.000 0.240 239 S C 1.357 175.895 174.600 -0.103 0.000 1.007 239 S CA 0.207 58.387 58.200 -0.034 0.000 0.984 239 S CB 0.445 63.678 63.200 0.056 0.000 0.910 239 S HN 0.320 nan 8.310 nan 0.000 0.509 240 G N 2.494 111.223 108.800 -0.119 0.000 2.195 240 G HA2 -0.302 -14.902 3.960 -30.932 0.000 0.246 240 G HA3 -0.302 -14.902 3.960 -30.932 0.000 0.246 240 G C 0.779 175.519 174.900 -0.267 0.000 0.984 240 G CA 0.161 45.222 45.100 -0.065 0.000 0.633 240 G HN 0.506 nan 8.290 nan 0.000 0.525 241 R N 0.730 120.898 120.500 -0.554 0.000 2.317 241 R HA 0.482 -13.738 4.340 -30.932 0.000 0.208 241 R C 1.626 177.727 176.300 -0.332 0.000 0.914 241 R CA 0.848 56.510 56.100 -0.731 0.000 1.060 241 R CB 0.109 29.797 30.300 -1.021 0.000 1.015 241 R HN 1.540 nan 8.270 nan 0.000 0.498 242 G N 0.746 109.394 108.800 -0.252 0.000 2.741 242 G HA2 -0.203 -14.802 3.960 -30.932 0.000 0.222 242 G HA3 -0.203 -14.802 3.960 -30.932 0.000 0.222 242 G C -1.370 173.355 174.900 -0.292 0.000 1.364 242 G CA -0.831 44.059 45.100 -0.350 0.000 0.866 242 G HN 0.059 nan 8.290 nan 0.000 0.555 243 L N -1.151 119.805 121.223 -0.445 0.000 2.455 243 L HA 0.813 -13.407 4.340 -30.932 0.000 0.264 243 L C -0.712 175.964 176.870 -0.323 0.000 0.968 243 L CA -0.744 53.954 54.840 -0.238 0.000 0.827 243 L CB 1.909 43.854 42.059 -0.189 0.000 1.317 243 L HN 0.565 nan 8.230 nan 0.000 0.407 244 F N 1.130 121.081 119.950 0.000 0.000 2.399 244 F HA 0.711 -13.327 4.527 -30.942 0.000 0.334 244 F C 0.734 176.490 175.800 -0.073 0.000 1.097 244 F CA -0.232 57.721 58.000 -0.078 0.000 1.076 244 F CB 2.041 40.897 39.000 -0.240 0.000 1.162 244 F HN 0.496 nan 8.300 nan 0.000 0.495 245 T N -0.363 114.201 114.554 0.016 0.000 2.924 245 T HA 0.901 -13.308 4.350 -30.932 0.000 0.291 245 T C -0.417 174.320 174.700 0.062 0.000 1.045 245 T CA -0.969 61.154 62.100 0.039 0.000 1.015 245 T CB 1.867 70.623 68.868 -0.187 0.000 1.103 245 T HN 0.875 nan 8.240 nan 0.000 0.496 246 G N 0.881 109.840 108.800 0.264 0.000 2.667 246 G HA2 0.640 -13.960 3.960 -30.932 0.000 0.298 246 G HA3 0.640 -13.960 3.960 -30.932 0.000 0.298 246 G C -1.693 173.312 174.900 0.175 0.000 1.377 246 G CA -1.048 44.248 45.100 0.325 0.000 0.964 246 G HN 0.873 nan 8.290 nan 0.000 0.493 247 L N 2.324 123.624 121.223 0.128 0.000 2.409 247 L HA 0.469 -13.751 4.340 -30.932 0.000 0.272 247 L C -2.255 174.671 176.870 0.093 0.000 0.980 247 L CA -2.164 52.728 54.840 0.088 0.000 0.826 247 L CB 2.869 44.965 42.059 0.061 0.000 1.268 247 L HN 0.316 nan 8.230 nan 0.000 0.407 248 P HA 0.332 nan 4.420 nan 0.000 0.270 248 P C 0.288 177.620 177.300 0.054 0.000 1.223 248 P CA 0.383 63.522 63.100 0.065 0.000 0.785 248 P CB 0.953 32.687 31.700 0.056 0.000 0.923 249 G N 0.000 108.825 108.800 0.042 0.000 5.446 249 G HA2 0.000 -14.599 3.960 -30.932 0.000 0.244 249 G HA3 0.000 -14.599 3.960 -30.932 0.000 0.244 249 G CA 0.000 45.121 45.100 0.034 0.000 0.502 249 G HN 0.000 nan 8.290 nan 0.000 0.925