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 3glg_1_C DATA FIRST_RESID 4 DATA SEQUENCE QVLARKWRPQ TFADVVGQEH VLTALANGLS LGRIHHAYLF SGTRGVGKTS DATA SEQUENCE IARLLAKGLN CETGITATPC GVCDNCREIE QGRFVDLIEI DAASRTKVED DATA SEQUENCE TRDLLDNVQY APARGRFKVY LIDEVHMLSR HSFNALLKTL EEPPEHVKFL DATA SEQUENCE LATADPQKLP VTILSRCLQF HLKALDVEQI RHQLEHILNE EHIAHEPRAL DATA SEQUENCE QLLARAAEGS LRDALSLTDQ AIASGDGQVS TQAVSAMLGT LDDDQALSLV DATA SEQUENCE EAMVEANGER VMALINEAAA RGIEWEALLV EMLGLLHRIA MVQLSPAALG DATA SEQUENCE NDMAAIELRM RELARTIPPT DIQLYYQTLL IGRKELPYAP DRRMGVEMTL DATA SEQUENCE LRALAFHPRM PLPEP 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 4 Q HA 0.000 nan 4.340 nan 0.000 0.214 4 Q C 0.000 176.027 176.000 0.045 0.000 1.003 4 Q CA 0.000 55.822 55.803 0.032 0.000 1.022 4 Q CB 0.000 28.752 28.738 0.023 0.000 1.108 5 V N 2.591 122.534 119.914 0.047 0.000 2.398 5 V HA 0.251 4.371 4.120 -0.001 0.000 0.286 5 V C 1.512 177.664 176.094 0.096 0.000 1.026 5 V CA -0.039 62.297 62.300 0.059 0.000 0.868 5 V CB 1.121 32.970 31.823 0.044 0.000 0.982 5 V HN 0.612 nan 8.190 nan 0.000 0.443 6 L N 3.939 125.233 121.223 0.119 0.000 1.994 6 L HA -0.141 4.198 4.340 -0.001 0.000 0.208 6 L C 2.604 179.599 176.870 0.209 0.000 1.071 6 L CA 2.014 56.976 54.840 0.203 0.000 0.745 6 L CB -0.437 41.693 42.059 0.119 0.000 0.892 6 L HN 0.850 nan 8.230 nan 0.000 0.431 7 A N -0.463 122.427 122.820 0.116 0.000 1.986 7 A HA -0.269 4.051 4.320 -0.001 0.000 0.220 7 A C 2.436 180.080 177.584 0.101 0.000 1.171 7 A CA 1.950 54.044 52.037 0.095 0.000 0.640 7 A CB -0.546 18.486 19.000 0.055 0.000 0.811 7 A HN 0.371 nan 8.150 nan 0.000 0.451 8 R N -0.737 119.814 120.500 0.085 0.000 2.105 8 R HA 0.021 4.360 4.340 -0.001 0.000 0.214 8 R C 2.246 178.563 176.300 0.028 0.000 1.091 8 R CA 1.073 57.202 56.100 0.049 0.000 1.007 8 R CB -0.248 30.069 30.300 0.028 0.000 0.912 8 R HN 0.529 nan 8.270 nan 0.000 0.450 9 K N -0.394 120.024 120.400 0.029 0.000 2.160 9 K HA -0.175 4.144 4.320 -0.001 0.000 0.206 9 K C 0.920 177.365 176.600 -0.259 0.000 1.047 9 K CA 1.642 57.861 56.287 -0.113 0.000 0.930 9 K CB -0.068 32.371 32.500 -0.102 0.000 0.720 9 K HN 0.218 nan 8.250 nan 0.000 0.450 10 W N 1.464 122.764 121.300 -0.000 0.000 3.278 10 W HA 0.222 4.882 4.660 -0.001 0.000 0.308 10 W C 0.098 176.615 176.519 -0.004 0.000 1.253 10 W CA -0.659 56.688 57.345 0.004 0.000 1.759 10 W CB 0.278 29.745 29.460 0.012 0.000 1.093 10 W HN -0.078 nan 8.180 nan 0.000 0.648 11 R N 2.640 123.204 120.500 0.106 0.000 2.526 11 R HA -0.065 4.275 4.340 -0.001 0.000 0.319 11 R C -2.246 174.070 176.300 0.028 0.000 0.888 11 R CA -0.794 55.335 56.100 0.047 0.000 1.127 11 R CB 0.066 30.368 30.300 0.003 0.000 0.888 11 R HN -0.183 nan 8.270 nan 0.000 0.410 12 P HA -0.052 nan 4.420 nan 0.000 0.266 12 P C -0.415 176.886 177.300 0.001 0.000 1.195 12 P CA 0.139 63.258 63.100 0.032 0.000 0.768 12 P CB 0.763 32.462 31.700 -0.002 0.000 0.838 13 Q N 0.049 119.853 119.800 0.007 0.000 2.246 13 Q HA 0.120 4.459 4.340 -0.001 0.000 0.222 13 Q C 0.546 176.560 176.000 0.024 0.000 0.851 13 Q CA 0.669 56.469 55.803 -0.005 0.000 0.945 13 Q CB 0.537 29.254 28.738 -0.036 0.000 1.122 13 Q HN 0.623 nan 8.270 nan 0.000 0.508 14 T N -4.007 110.580 114.554 0.056 0.000 2.883 14 T HA 0.442 4.792 4.350 -0.001 0.000 0.296 14 T C 0.518 175.341 174.700 0.205 0.000 1.117 14 T CA -0.644 61.525 62.100 0.115 0.000 1.006 14 T CB 0.551 69.452 68.868 0.055 0.000 1.191 14 T HN -0.227 nan 8.240 nan 0.000 0.508 15 F N 1.178 121.086 119.950 -0.070 0.000 2.154 15 F HA 0.025 4.552 4.527 -0.001 0.000 0.301 15 F C 2.976 178.738 175.800 -0.064 0.000 1.087 15 F CA 1.324 59.276 58.000 -0.080 0.000 1.274 15 F CB -1.408 37.541 39.000 -0.085 0.000 1.009 15 F HN 0.859 nan 8.300 nan 0.000 0.485 16 A N -0.072 122.839 122.820 0.151 0.000 1.927 16 A HA -0.247 4.073 4.320 -0.001 0.000 0.220 16 A C 1.934 179.533 177.584 0.026 0.000 1.185 16 A CA 2.273 54.346 52.037 0.061 0.000 0.639 16 A CB -0.878 18.147 19.000 0.043 0.000 0.820 16 A HN 0.315 nan 8.150 nan 0.000 0.451 17 D N -0.754 119.670 120.400 0.039 0.000 2.363 17 D HA 0.113 4.752 4.640 -0.001 0.000 0.226 17 D C 0.239 176.539 176.300 0.001 0.000 1.020 17 D CA 0.239 54.260 54.000 0.034 0.000 0.892 17 D CB -0.024 40.821 40.800 0.074 0.000 0.900 17 D HN 0.202 nan 8.370 nan 0.000 0.531 18 V N 1.342 121.231 119.914 -0.042 0.000 2.546 18 V HA 0.118 4.237 4.120 -0.001 0.000 0.284 18 V C 0.546 176.587 176.094 -0.089 0.000 1.050 18 V CA -0.607 61.638 62.300 -0.091 0.000 0.981 18 V CB 2.115 33.824 31.823 -0.190 0.000 0.990 18 V HN -0.221 nan 8.190 nan 0.000 0.474 19 V N 4.899 124.765 119.914 -0.080 0.000 2.407 19 V HA 0.754 4.874 4.120 -0.001 0.000 0.278 19 V C 0.921 176.972 176.094 -0.071 0.000 1.037 19 V CA 0.719 62.973 62.300 -0.076 0.000 0.900 19 V CB 0.370 32.158 31.823 -0.058 0.000 0.983 19 V HN 1.328 nan 8.190 nan 0.000 0.459 20 G N 3.992 112.755 108.800 -0.062 0.000 2.641 20 G HA2 -0.185 3.775 3.960 -0.001 0.000 0.254 20 G HA3 -0.185 3.775 3.960 -0.001 0.000 0.254 20 G C 0.010 174.889 174.900 -0.035 0.000 1.315 20 G CA 0.101 45.183 45.100 -0.029 0.000 0.907 20 G HN 1.095 nan 8.290 nan 0.000 0.572 21 Q N -2.076 117.743 119.800 0.031 0.000 2.503 21 Q HA -0.208 4.132 4.340 -0.001 0.000 0.267 21 Q C 1.278 177.231 176.000 -0.077 0.000 1.030 21 Q CA 2.044 57.838 55.803 -0.016 0.000 1.041 21 Q CB -1.818 26.825 28.738 -0.159 0.000 1.406 21 Q HN 0.882 nan 8.270 nan 0.000 0.524 22 E N 0.172 120.400 120.200 0.046 0.000 2.086 22 E HA -0.238 4.112 4.350 -0.001 0.000 0.200 22 E C 1.596 178.216 176.600 0.033 0.000 1.012 22 E CA 2.196 58.613 56.400 0.029 0.000 0.812 22 E CB -0.513 29.226 29.700 0.065 0.000 0.743 22 E HN 0.930 nan 8.360 nan 0.000 0.453 23 H N -1.422 117.666 119.070 0.029 0.000 2.457 23 H HA -0.048 4.507 4.556 -0.001 0.000 0.297 23 H C 1.718 177.104 175.328 0.096 0.000 1.092 23 H CA 1.365 57.458 56.048 0.075 0.000 1.309 23 H CB -0.267 29.555 29.762 0.100 0.000 1.382 23 H HN 0.045 nan 8.280 nan 0.000 0.535 24 V N 0.904 120.438 119.914 -0.633 0.000 2.379 24 V HA -0.113 4.006 4.120 -0.001 0.000 0.243 24 V C 2.644 178.483 176.094 -0.425 0.000 1.035 24 V CA 1.152 63.128 62.300 -0.540 0.000 1.035 24 V CB -0.460 31.023 31.823 -0.566 0.000 0.673 24 V HN 0.364 nan 8.190 nan 0.000 0.457 25 L N -0.069 120.958 121.223 -0.326 0.000 1.994 25 L HA -0.184 4.155 4.340 -0.001 0.000 0.208 25 L C 2.712 179.565 176.870 -0.028 0.000 1.071 25 L CA 2.118 56.821 54.840 -0.229 0.000 0.745 25 L CB -1.111 40.819 42.059 -0.215 0.000 0.892 25 L HN 0.348 nan 8.230 nan 0.000 0.431 26 T N 0.105 114.654 114.554 -0.008 0.000 2.635 26 T HA -0.280 4.069 4.350 -0.001 0.000 0.267 26 T C 1.977 176.716 174.700 0.065 0.000 1.040 26 T CA 1.656 63.785 62.100 0.047 0.000 1.156 26 T CB -0.391 68.513 68.868 0.060 0.000 0.863 26 T HN 0.480 nan 8.240 nan 0.000 0.430 27 A N 1.194 124.056 122.820 0.069 0.000 1.873 27 A HA -0.085 4.234 4.320 -0.001 0.000 0.218 27 A C 2.351 180.009 177.584 0.124 0.000 1.193 27 A CA 1.623 53.750 52.037 0.149 0.000 0.629 27 A CB -1.035 18.160 19.000 0.324 0.000 0.826 27 A HN 0.484 nan 8.150 nan 0.000 0.447 28 L N -0.790 120.437 121.223 0.008 0.000 1.970 28 L HA -0.248 4.092 4.340 -0.001 0.000 0.212 28 L C 3.153 180.079 176.870 0.094 0.000 1.071 28 L CA 1.461 56.326 54.840 0.041 0.000 0.751 28 L CB -0.763 41.290 42.059 -0.011 0.000 0.889 28 L HN 0.439 nan 8.230 nan 0.000 0.432 29 A N 0.116 123.007 122.820 0.119 0.000 1.892 29 A HA -0.262 4.058 4.320 -0.001 0.000 0.218 29 A C 2.046 179.658 177.584 0.046 0.000 1.188 29 A CA 2.277 54.348 52.037 0.056 0.000 0.631 29 A CB -0.800 18.242 19.000 0.071 0.000 0.822 29 A HN 0.470 nan 8.150 nan 0.000 0.447 30 N N -0.139 118.602 118.700 0.068 0.000 2.348 30 N HA -0.098 4.642 4.740 -0.001 0.000 0.185 30 N C 1.557 177.115 175.510 0.080 0.000 1.019 30 N CA 1.369 54.460 53.050 0.069 0.000 0.880 30 N CB -0.434 38.102 38.487 0.082 0.000 0.965 30 N HN 0.529 nan 8.380 nan 0.000 0.437 31 G N -0.593 108.268 108.800 0.101 0.000 2.608 31 G HA2 0.057 4.017 3.960 -0.001 0.000 0.210 31 G HA3 0.057 4.017 3.960 -0.001 0.000 0.210 31 G C 1.553 176.514 174.900 0.101 0.000 1.139 31 G CA -0.157 45.017 45.100 0.123 0.000 0.812 31 G HN 0.172 nan 8.290 nan 0.000 0.529 32 L N 1.730 122.994 121.223 0.068 0.000 1.994 32 L HA -0.101 4.239 4.340 -0.001 0.000 0.208 32 L C 3.281 180.174 176.870 0.039 0.000 1.071 32 L CA 1.763 56.628 54.840 0.042 0.000 0.745 32 L CB -0.556 41.495 42.059 -0.013 0.000 0.892 32 L HN 0.370 nan 8.230 nan 0.000 0.431 33 S N -0.256 115.458 115.700 0.024 0.000 2.406 33 S HA -0.121 4.349 4.470 -0.001 0.000 0.228 33 S C 1.915 176.537 174.600 0.037 0.000 1.020 33 S CA 0.665 58.878 58.200 0.022 0.000 0.965 33 S CB -0.622 62.582 63.200 0.008 0.000 0.798 33 S HN 0.326 nan 8.310 nan 0.000 0.488 34 L N 1.398 122.650 121.223 0.048 0.000 2.549 34 L HA 0.059 4.399 4.340 -0.001 0.000 0.229 34 L C 2.016 178.923 176.870 0.061 0.000 1.158 34 L CA 0.685 55.557 54.840 0.054 0.000 0.842 34 L CB -1.087 41.011 42.059 0.064 0.000 0.952 34 L HN 0.661 nan 8.230 nan 0.000 0.452 35 G N 0.536 109.377 108.800 0.068 0.000 2.205 35 G HA2 -0.342 3.617 3.960 -0.001 0.000 0.269 35 G HA3 -0.342 3.617 3.960 -0.001 0.000 0.269 35 G C 0.411 175.365 174.900 0.090 0.000 0.977 35 G CA 0.162 45.309 45.100 0.079 0.000 0.652 35 G HN 0.444 nan 8.290 nan 0.000 0.539 36 R N 0.098 120.654 120.500 0.094 0.000 2.235 36 R HA 0.542 4.882 4.340 -0.001 0.000 0.338 36 R C -0.152 176.232 176.300 0.142 0.000 1.087 36 R CA -0.141 56.019 56.100 0.099 0.000 0.948 36 R CB 0.518 30.871 30.300 0.088 0.000 1.099 36 R HN 0.327 nan 8.270 nan 0.000 0.483 37 I N 3.100 123.758 120.570 0.146 0.000 2.476 37 I HA 0.172 4.342 4.170 -0.001 0.000 0.281 37 I C 0.642 176.878 176.117 0.197 0.000 1.040 37 I CA -0.776 60.657 61.300 0.223 0.000 1.094 37 I CB 1.308 39.413 38.000 0.175 0.000 1.219 37 I HN 0.513 nan 8.210 nan 0.000 0.450 38 H N 5.856 124.974 119.070 0.081 0.000 2.711 38 H HA 0.088 4.644 4.556 -0.001 0.000 0.381 38 H C 0.653 175.929 175.328 -0.087 0.000 1.535 38 H CA 1.070 56.970 56.048 -0.247 0.000 1.470 38 H CB 0.900 30.196 29.762 -0.776 0.000 1.551 38 H HN 0.667 nan 8.280 nan 0.000 0.613 39 H N -0.975 118.203 119.070 0.180 0.000 3.046 39 H HA 0.440 4.995 4.556 -0.001 0.000 0.262 39 H C -0.554 174.956 175.328 0.303 0.000 1.044 39 H CA 0.175 56.353 56.048 0.217 0.000 1.209 39 H CB 0.701 30.562 29.762 0.165 0.000 1.507 39 H HN 0.370 nan 8.280 nan 0.000 0.507 40 A N 1.324 124.178 122.820 0.055 0.000 2.522 40 A HA 0.462 4.782 4.320 -0.001 0.000 0.285 40 A C -1.828 175.537 177.584 -0.364 0.000 1.198 40 A CA -0.560 51.490 52.037 0.021 0.000 0.742 40 A CB 0.249 19.265 19.000 0.027 0.000 1.176 40 A HN 0.237 nan 8.150 nan 0.000 0.444 41 Y N 1.332 121.599 120.300 -0.054 0.000 2.323 41 Y HA 0.578 5.128 4.550 -0.001 0.000 0.331 41 Y C 0.038 175.758 175.900 -0.300 0.000 1.092 41 Y CA -0.622 57.345 58.100 -0.221 0.000 1.150 41 Y CB 1.765 40.145 38.460 -0.133 0.000 1.200 41 Y HN 0.610 nan 8.280 nan 0.000 0.472 42 L N 4.250 125.268 121.223 -0.341 0.000 2.381 42 L HA 0.656 4.996 4.340 -0.001 0.000 0.274 42 L C -2.012 174.658 176.870 -0.334 0.000 0.988 42 L CA -0.889 53.816 54.840 -0.224 0.000 0.824 42 L CB 0.618 42.597 42.059 -0.132 0.000 1.263 42 L HN 0.369 nan 8.230 nan 0.000 0.410 43 F N 3.237 123.280 119.950 0.156 0.000 2.467 43 F HA 0.788 5.314 4.527 -0.001 0.000 0.336 43 F C 0.197 176.033 175.800 0.060 0.000 1.123 43 F CA -0.246 57.829 58.000 0.124 0.000 0.964 43 F CB 2.236 41.287 39.000 0.085 0.000 1.136 43 F HN 0.601 nan 8.300 nan 0.000 0.447 44 S N 0.982 116.787 115.700 0.175 0.000 2.618 44 S HA 1.010 5.480 4.470 -0.001 0.000 0.277 44 S C -0.479 173.885 174.600 -0.394 0.000 1.138 44 S CA -0.693 57.492 58.200 -0.024 0.000 0.844 44 S CB 1.979 65.234 63.200 0.092 0.000 1.127 44 S HN 1.400 nan 8.310 nan 0.000 0.474 45 G N 0.697 109.270 108.800 -0.379 0.000 2.326 45 G HA2 0.383 4.342 3.960 -0.001 0.000 0.413 45 G HA3 0.383 4.342 3.960 -0.001 0.000 0.413 45 G C -0.469 174.381 174.900 -0.084 0.000 1.444 45 G CA -0.359 44.526 45.100 -0.358 0.000 1.002 45 G HN 1.372 nan 8.290 nan 0.000 0.649 46 T N -0.484 114.057 114.554 -0.021 0.000 2.748 46 T HA 0.490 4.839 4.350 -0.001 0.000 0.304 46 T C 1.137 175.837 174.700 0.000 0.000 1.041 46 T CA 0.120 62.223 62.100 0.005 0.000 1.033 46 T CB 0.584 69.463 68.868 0.019 0.000 0.995 46 T HN 1.304 nan 8.240 nan 0.000 0.536 47 R N 0.491 120.997 120.500 0.009 0.000 2.566 47 R HA 0.180 4.519 4.340 -0.001 0.000 0.273 47 R C 0.928 177.231 176.300 0.005 0.000 0.981 47 R CA 0.802 56.909 56.100 0.012 0.000 1.091 47 R CB -1.314 28.996 30.300 0.017 0.000 0.924 47 R HN 1.574 nan 8.270 nan 0.000 0.411 48 G N 1.834 110.635 108.800 0.001 0.000 2.137 48 G HA2 -0.239 3.721 3.960 -0.001 0.000 0.237 48 G HA3 -0.239 3.721 3.960 -0.001 0.000 0.237 48 G C 0.192 175.084 174.900 -0.014 0.000 1.002 48 G CA 0.023 45.121 45.100 -0.003 0.000 0.702 48 G HN 0.519 nan 8.290 nan 0.000 0.515 49 V N -0.805 119.095 119.914 -0.023 0.000 3.643 49 V HA 0.583 4.703 4.120 -0.001 0.000 0.280 49 V C 1.960 178.019 176.094 -0.059 0.000 1.351 49 V CA 1.103 63.385 62.300 -0.031 0.000 1.073 49 V CB 0.343 32.153 31.823 -0.022 0.000 0.863 49 V HN 1.903 nan 8.190 nan 0.000 0.436 50 G N 1.491 110.247 108.800 -0.074 0.000 2.164 50 G HA2 -0.197 3.763 3.960 -0.001 0.000 0.154 50 G HA3 -0.197 3.763 3.960 -0.001 0.000 0.154 50 G C 0.864 175.652 174.900 -0.187 0.000 1.014 50 G CA 0.283 45.310 45.100 -0.121 0.000 0.683 50 G HN 0.515 nan 8.290 nan 0.000 0.500 51 K N -0.340 119.973 120.400 -0.146 0.000 2.001 51 K HA -0.019 4.301 4.320 -0.001 0.000 0.208 51 K C 2.108 178.566 176.600 -0.236 0.000 1.048 51 K CA 1.807 57.976 56.287 -0.197 0.000 0.932 51 K CB -0.812 31.672 32.500 -0.026 0.000 0.715 51 K HN 0.134 nan 8.250 nan 0.000 0.437 52 T N 1.563 116.050 114.554 -0.113 0.000 2.759 52 T HA -0.117 4.232 4.350 -0.001 0.000 0.269 52 T C 2.117 176.734 174.700 -0.139 0.000 1.042 52 T CA 1.920 63.967 62.100 -0.088 0.000 1.140 52 T CB -0.313 68.539 68.868 -0.027 0.000 0.864 52 T HN 0.388 nan 8.240 nan 0.000 0.455 53 S N 0.859 116.467 115.700 -0.154 0.000 2.436 53 S HA 0.160 4.630 4.470 -0.001 0.000 0.228 53 S C 2.022 176.484 174.600 -0.230 0.000 1.014 53 S CA 0.316 58.428 58.200 -0.147 0.000 0.950 53 S CB -0.294 62.842 63.200 -0.108 0.000 0.784 53 S HN 0.397 nan 8.310 nan 0.000 0.504 54 I N 2.223 122.572 120.570 -0.367 0.000 2.133 54 I HA -0.201 3.968 4.170 -0.001 0.000 0.238 54 I C 2.928 178.735 176.117 -0.516 0.000 1.074 54 I CA 1.083 62.057 61.300 -0.544 0.000 1.342 54 I CB -0.700 36.850 38.000 -0.751 0.000 1.053 54 I HN 0.301 nan 8.210 nan 0.000 0.404 55 A N 1.002 123.457 122.820 -0.609 0.000 1.915 55 A HA -0.311 4.009 4.320 -0.001 0.000 0.220 55 A C 2.354 179.862 177.584 -0.126 0.000 1.198 55 A CA 2.261 54.099 52.037 -0.331 0.000 0.647 55 A CB -0.818 18.100 19.000 -0.137 0.000 0.825 55 A HN 0.387 nan 8.150 nan 0.000 0.456 56 R N -0.923 119.511 120.500 -0.110 0.000 2.090 56 R HA 0.069 4.409 4.340 -0.001 0.000 0.228 56 R C 2.149 178.428 176.300 -0.035 0.000 1.110 56 R CA 1.190 57.261 56.100 -0.047 0.000 0.973 56 R CB -0.464 29.813 30.300 -0.040 0.000 0.869 56 R HN 0.531 nan 8.270 nan 0.000 0.440 57 L N 0.609 121.807 121.223 -0.041 0.000 2.042 57 L HA -0.229 4.111 4.340 -0.001 0.000 0.210 57 L C 2.370 179.331 176.870 0.152 0.000 1.076 57 L CA 0.777 55.665 54.840 0.080 0.000 0.749 57 L CB -0.459 41.678 42.059 0.129 0.000 0.893 57 L HN 0.210 nan 8.230 nan 0.000 0.432 58 L N 0.224 121.496 121.223 0.081 0.000 1.994 58 L HA -0.173 4.166 4.340 -0.001 0.000 0.208 58 L C 2.694 179.560 176.870 -0.008 0.000 1.071 58 L CA 2.175 57.050 54.840 0.058 0.000 0.745 58 L CB -1.048 40.990 42.059 -0.035 0.000 0.892 58 L HN 0.161 nan 8.230 nan 0.000 0.431 59 A N -0.446 122.368 122.820 -0.009 0.000 1.903 59 A HA -0.337 3.983 4.320 -0.001 0.000 0.219 59 A C 2.488 180.060 177.584 -0.020 0.000 1.191 59 A CA 2.393 54.429 52.037 -0.003 0.000 0.638 59 A CB -0.827 18.186 19.000 0.021 0.000 0.823 59 A HN 0.545 nan 8.150 nan 0.000 0.451 60 K N -0.934 119.440 120.400 -0.044 0.000 2.074 60 K HA -0.166 4.153 4.320 -0.001 0.000 0.209 60 K C 2.004 178.548 176.600 -0.093 0.000 1.048 60 K CA 1.570 57.799 56.287 -0.095 0.000 0.926 60 K CB -0.524 31.929 32.500 -0.078 0.000 0.713 60 K HN 0.452 nan 8.250 nan 0.000 0.444 61 G N 0.819 109.572 108.800 -0.078 0.000 2.448 61 G HA2 -0.164 3.795 3.960 -0.001 0.000 0.218 61 G HA3 -0.164 3.795 3.960 -0.001 0.000 0.218 61 G C 1.437 176.305 174.900 -0.053 0.000 1.135 61 G CA 0.217 45.249 45.100 -0.114 0.000 0.784 61 G HN 0.210 nan 8.290 nan 0.000 0.543 62 L N 0.007 121.222 121.223 -0.013 0.000 2.291 62 L HA 0.098 4.438 4.340 -0.001 0.000 0.214 62 L C 1.847 178.844 176.870 0.212 0.000 1.120 62 L CA 0.531 55.416 54.840 0.074 0.000 0.799 62 L CB 0.039 42.084 42.059 -0.023 0.000 0.925 62 L HN 0.122 nan 8.230 nan 0.000 0.446 63 N N -1.663 117.099 118.700 0.103 0.000 2.171 63 N HA 0.044 4.784 4.740 -0.001 0.000 0.212 63 N C -0.125 175.383 175.510 -0.003 0.000 1.184 63 N CA -0.098 53.016 53.050 0.108 0.000 0.888 63 N CB 0.328 38.878 38.487 0.106 0.000 1.038 63 N HN 0.110 nan 8.380 nan 0.000 0.517 64 C N 2.031 121.309 119.300 -0.037 0.000 2.592 64 C HA 0.051 4.510 4.460 -0.001 0.000 0.408 64 C C 1.857 176.825 174.990 -0.036 0.000 1.436 64 C CA -0.083 58.895 59.018 -0.067 0.000 1.595 64 C CB -0.581 27.114 27.740 -0.076 0.000 2.487 64 C HN 0.441 nan 8.230 nan 0.000 0.610 65 E N 2.080 122.255 120.200 -0.041 0.000 2.333 65 E HA -0.195 4.155 4.350 -0.001 0.000 0.200 65 E C 2.060 178.648 176.600 -0.019 0.000 1.010 65 E CA 1.728 58.116 56.400 -0.021 0.000 0.841 65 E CB 0.097 29.786 29.700 -0.019 0.000 0.757 65 E HN 1.009 nan 8.360 nan 0.000 0.508 66 T N -2.220 112.318 114.554 -0.027 0.000 2.942 66 T HA 0.151 4.500 4.350 -0.001 0.000 0.265 66 T C 0.846 175.536 174.700 -0.017 0.000 1.062 66 T CA 0.687 62.773 62.100 -0.024 0.000 1.139 66 T CB 0.502 69.350 68.868 -0.033 0.000 0.883 66 T HN 0.212 nan 8.240 nan 0.000 0.468 67 G N 0.254 109.047 108.800 -0.012 0.000 2.345 67 G HA2 0.300 4.260 3.960 -0.001 0.000 0.310 67 G HA3 0.300 4.260 3.960 -0.001 0.000 0.310 67 G C -1.145 173.762 174.900 0.013 0.000 1.476 67 G CA -0.913 44.189 45.100 0.003 0.000 0.978 67 G HN 0.420 nan 8.290 nan 0.000 0.656 68 I N 1.555 122.155 120.570 0.049 0.000 2.769 68 I HA 0.251 4.421 4.170 -0.001 0.000 0.285 68 I C 0.805 176.924 176.117 0.004 0.000 1.173 68 I CA 0.985 62.324 61.300 0.066 0.000 1.389 68 I CB 0.276 38.351 38.000 0.125 0.000 1.404 68 I HN 0.469 nan 8.210 nan 0.000 0.544 69 T N 4.139 118.664 114.554 -0.048 0.000 2.900 69 T HA 0.545 4.895 4.350 -0.001 0.000 0.303 69 T C 0.544 175.124 174.700 -0.200 0.000 1.142 69 T CA -0.132 61.909 62.100 -0.098 0.000 1.007 69 T CB 1.799 70.611 68.868 -0.093 0.000 1.156 69 T HN 0.564 nan 8.240 nan 0.000 0.490 70 A N 1.601 124.272 122.820 -0.248 0.000 2.169 70 A HA 0.257 4.576 4.320 -0.001 0.000 0.212 70 A C 1.063 178.280 177.584 -0.612 0.000 1.153 70 A CA 1.003 52.756 52.037 -0.474 0.000 0.756 70 A CB -0.308 18.497 19.000 -0.325 0.000 0.813 70 A HN 0.873 nan 8.150 nan 0.000 0.471 71 T N -0.094 114.254 114.554 -0.343 0.000 3.327 71 T HA 0.460 4.809 4.350 -0.001 0.000 0.373 71 T C -2.756 171.830 174.700 -0.189 0.000 1.589 71 T CA -1.877 60.065 62.100 -0.263 0.000 1.497 71 T CB 0.876 69.650 68.868 -0.156 0.000 1.032 71 T HN 0.150 nan 8.240 nan 0.000 0.640 72 P HA 0.071 nan 4.420 nan 0.000 0.268 72 P C 1.259 178.498 177.300 -0.102 0.000 1.208 72 P CA -0.381 62.636 63.100 -0.139 0.000 0.777 72 P CB 0.684 32.303 31.700 -0.135 0.000 0.875 73 C N -1.110 118.139 119.300 -0.085 0.000 2.594 73 C HA 0.371 4.830 4.460 -0.001 0.000 0.265 73 C C 1.827 176.781 174.990 -0.059 0.000 1.351 73 C CA 0.333 59.312 59.018 -0.066 0.000 1.744 73 C CB -1.536 26.169 27.740 -0.057 0.000 1.890 73 C HN 0.768 nan 8.230 nan 0.000 0.551 74 G N 0.975 109.733 108.800 -0.069 0.000 2.233 74 G HA2 -0.254 3.706 3.960 -0.001 0.000 0.270 74 G HA3 -0.254 3.706 3.960 -0.001 0.000 0.270 74 G C 0.705 175.571 174.900 -0.057 0.000 1.011 74 G CA 1.345 46.407 45.100 -0.064 0.000 0.762 74 G HN 1.690 nan 8.290 nan 0.000 0.511 75 V N -3.366 116.514 119.914 -0.057 0.000 3.193 75 V HA 0.265 4.385 4.120 -0.001 0.000 0.237 75 V C 1.979 178.045 176.094 -0.046 0.000 1.447 75 V CA 0.925 63.198 62.300 -0.046 0.000 1.227 75 V CB -0.571 31.230 31.823 -0.036 0.000 1.040 75 V HN 1.401 nan 8.190 nan 0.000 0.458 76 C N 1.887 121.155 119.300 -0.052 0.000 2.702 76 C HA 0.262 4.722 4.460 -0.001 0.000 0.411 76 C C 1.801 176.757 174.990 -0.056 0.000 1.286 76 C CA 0.649 59.638 59.018 -0.048 0.000 1.979 76 C CB 0.084 27.793 27.740 -0.051 0.000 2.728 76 C HN 0.632 nan 8.230 nan 0.000 0.652 77 D N 2.014 122.395 120.400 -0.031 0.000 2.126 77 D HA -0.152 4.487 4.640 -0.001 0.000 0.190 77 D C 1.805 178.075 176.300 -0.050 0.000 1.001 77 D CA 2.140 56.133 54.000 -0.012 0.000 0.841 77 D CB -0.331 40.485 40.800 0.028 0.000 0.949 77 D HN 0.756 nan 8.370 nan 0.000 0.446 78 N N 0.140 118.778 118.700 -0.103 0.000 2.061 78 N HA -0.140 4.599 4.740 -0.001 0.000 0.193 78 N C 2.057 177.286 175.510 -0.468 0.000 1.030 78 N CA 0.803 53.611 53.050 -0.403 0.000 0.856 78 N CB -0.978 37.263 38.487 -0.410 0.000 1.023 78 N HN 0.255 nan 8.380 nan 0.000 0.424 79 C N 0.853 119.993 119.300 -0.267 0.000 2.413 79 C HA -0.036 4.424 4.460 -0.001 0.000 0.278 79 C C 2.724 177.616 174.990 -0.163 0.000 1.224 79 C CA 0.455 59.346 59.018 -0.211 0.000 1.732 79 C CB -0.918 26.740 27.740 -0.137 0.000 2.050 79 C HN 0.476 nan 8.230 nan 0.000 0.463 80 R N 0.373 120.805 120.500 -0.112 0.000 2.083 80 R HA -0.164 4.176 4.340 -0.001 0.000 0.237 80 R C 2.153 178.417 176.300 -0.059 0.000 1.137 80 R CA 1.686 57.743 56.100 -0.072 0.000 0.951 80 R CB -0.392 29.880 30.300 -0.047 0.000 0.851 80 R HN 0.643 nan 8.270 nan 0.000 0.434 81 E N 0.375 120.543 120.200 -0.054 0.000 2.070 81 E HA -0.221 4.129 4.350 -0.001 0.000 0.197 81 E C 1.944 178.551 176.600 0.013 0.000 1.004 81 E CA 1.504 57.915 56.400 0.018 0.000 0.805 81 E CB -0.132 29.651 29.700 0.140 0.000 0.744 81 E HN 0.356 nan 8.360 nan 0.000 0.451 82 I N 0.774 121.275 120.570 -0.115 0.000 2.361 82 I HA -0.232 3.937 4.170 -0.001 0.000 0.251 82 I C 2.317 178.412 176.117 -0.036 0.000 1.133 82 I CA 1.002 62.259 61.300 -0.071 0.000 1.413 82 I CB -0.310 37.575 38.000 -0.192 0.000 1.073 82 I HN 0.110 nan 8.210 nan 0.000 0.424 83 E N 0.769 120.936 120.200 -0.056 0.000 2.106 83 E HA -0.227 4.122 4.350 -0.001 0.000 0.192 83 E C 1.912 178.496 176.600 -0.026 0.000 0.984 83 E CA 1.031 57.405 56.400 -0.044 0.000 0.806 83 E CB 0.034 29.701 29.700 -0.055 0.000 0.750 83 E HN 0.589 nan 8.360 nan 0.000 0.458 84 Q N -1.087 118.706 119.800 -0.013 0.000 2.403 84 Q HA 0.084 4.424 4.340 -0.001 0.000 0.203 84 Q C 0.905 176.915 176.000 0.016 0.000 0.932 84 Q CA 0.418 56.221 55.803 -0.001 0.000 0.945 84 Q CB 0.897 29.636 28.738 0.003 0.000 1.045 84 Q HN 0.373 nan 8.270 nan 0.000 0.511 85 G N 2.390 111.206 108.800 0.028 0.000 2.148 85 G HA2 -0.341 3.619 3.960 -0.001 0.000 0.254 85 G HA3 -0.341 3.619 3.960 -0.001 0.000 0.254 85 G C 0.170 175.108 174.900 0.063 0.000 0.981 85 G CA 0.449 45.575 45.100 0.043 0.000 0.670 85 G HN 0.462 nan 8.290 nan 0.000 0.528 86 R N -1.398 119.151 120.500 0.082 0.000 2.983 86 R HA 0.651 4.991 4.340 -0.001 0.000 0.300 86 R C -0.663 175.732 176.300 0.158 0.000 1.367 86 R CA -0.983 55.169 56.100 0.087 0.000 1.564 86 R CB 0.276 30.609 30.300 0.055 0.000 1.314 86 R HN 0.267 nan 8.270 nan 0.000 0.622 87 F N 1.507 121.451 119.950 -0.010 0.000 2.449 87 F HA 0.298 4.824 4.527 -0.001 0.000 0.342 87 F C 0.709 176.500 175.800 -0.015 0.000 1.127 87 F CA -1.588 56.404 58.000 -0.012 0.000 0.975 87 F CB 1.884 40.876 39.000 -0.013 0.000 1.146 87 F HN -0.018 nan 8.300 nan 0.000 0.444 88 V N 4.533 124.124 119.914 -0.538 0.000 3.383 88 V HA -0.086 4.033 4.120 -0.001 0.000 0.272 88 V C 0.446 176.221 176.094 -0.532 0.000 1.181 88 V CA 1.438 63.488 62.300 -0.416 0.000 1.171 88 V CB -0.925 30.722 31.823 -0.293 0.000 0.800 88 V HN 0.714 nan 8.190 nan 0.000 0.515 89 D N -0.563 119.311 120.400 -0.878 0.000 2.539 89 D HA 0.216 4.855 4.640 -0.001 0.000 0.232 89 D C 0.045 176.229 176.300 -0.194 0.000 1.256 89 D CA -0.107 53.583 54.000 -0.517 0.000 0.810 89 D CB 1.415 41.916 40.800 -0.499 0.000 1.090 89 D HN 0.359 nan 8.370 nan 0.000 0.519 90 L N 2.397 123.603 121.223 -0.030 0.000 2.301 90 L HA 0.395 4.735 4.340 -0.001 0.000 0.278 90 L C -0.612 176.248 176.870 -0.016 0.000 1.022 90 L CA -0.433 54.443 54.840 0.061 0.000 0.854 90 L CB 0.426 42.619 42.059 0.224 0.000 1.226 90 L HN -0.128 nan 8.230 nan 0.000 0.429 91 I N 3.535 124.044 120.570 -0.102 0.000 2.281 91 I HA 0.277 4.446 4.170 -0.001 0.000 0.293 91 I C 0.173 176.329 176.117 0.065 0.000 1.085 91 I CA -0.322 60.961 61.300 -0.029 0.000 1.257 91 I CB 0.531 38.497 38.000 -0.057 0.000 1.430 91 I HN 0.634 nan 8.210 nan 0.000 0.489 92 E N 6.499 126.740 120.200 0.068 0.000 2.052 92 E HA 0.383 4.733 4.350 -0.001 0.000 0.283 92 E C -0.782 175.873 176.600 0.091 0.000 1.071 92 E CA -0.474 55.975 56.400 0.083 0.000 0.851 92 E CB 0.953 30.690 29.700 0.062 0.000 1.066 92 E HN 0.562 nan 8.360 nan 0.000 0.396 93 I N 3.876 124.516 120.570 0.117 0.000 2.321 93 I HA 0.044 4.214 4.170 -0.001 0.000 0.291 93 I C -0.045 176.110 176.117 0.064 0.000 0.998 93 I CA -0.410 60.950 61.300 0.100 0.000 1.227 93 I CB 1.180 39.258 38.000 0.131 0.000 1.368 93 I HN 0.442 nan 8.210 nan 0.000 0.466 94 D N 6.557 126.980 120.400 0.038 0.000 2.517 94 D HA 0.207 4.847 4.640 -0.001 0.000 0.220 94 D C 1.052 177.345 176.300 -0.012 0.000 1.158 94 D CA -0.052 53.957 54.000 0.015 0.000 0.992 94 D CB 1.102 41.910 40.800 0.013 0.000 1.058 94 D HN 0.630 nan 8.370 nan 0.000 0.516 95 A N 3.378 126.181 122.820 -0.028 0.000 2.024 95 A HA -0.119 4.201 4.320 -0.001 0.000 0.220 95 A C 2.106 179.632 177.584 -0.096 0.000 1.164 95 A CA 1.689 53.684 52.037 -0.071 0.000 0.643 95 A CB -0.325 18.617 19.000 -0.098 0.000 0.806 95 A HN 0.573 nan 8.150 nan 0.000 0.451 96 A N -0.846 121.921 122.820 -0.088 0.000 2.119 96 A HA 0.088 4.408 4.320 -0.001 0.000 0.217 96 A C 2.226 179.784 177.584 -0.042 0.000 1.153 96 A CA 1.774 53.764 52.037 -0.078 0.000 0.692 96 A CB -0.335 18.629 19.000 -0.060 0.000 0.799 96 A HN 0.492 nan 8.150 nan 0.000 0.458 97 S N -0.615 115.067 115.700 -0.031 0.000 2.506 97 S HA 0.105 4.575 4.470 -0.001 0.000 0.230 97 S C 0.960 175.544 174.600 -0.027 0.000 1.066 97 S CA -0.214 57.974 58.200 -0.021 0.000 0.940 97 S CB 0.020 63.215 63.200 -0.008 0.000 0.818 97 S HN 0.413 nan 8.310 nan 0.000 0.518 98 R N 3.502 123.984 120.500 -0.030 0.000 4.164 98 R HA 0.180 4.520 4.340 -0.001 0.000 0.195 98 R C 0.995 177.255 176.300 -0.066 0.000 1.712 98 R CA 0.256 56.334 56.100 -0.037 0.000 1.457 98 R CB -1.271 29.016 30.300 -0.023 0.000 1.387 98 R HN 0.607 nan 8.270 nan 0.000 0.785 99 T N -2.812 111.700 114.554 -0.070 0.000 3.051 99 T HA 0.103 4.452 4.350 -0.001 0.000 0.255 99 T C 0.802 175.441 174.700 -0.101 0.000 1.085 99 T CA 0.205 62.244 62.100 -0.102 0.000 1.109 99 T CB 0.601 69.418 68.868 -0.085 0.000 0.921 99 T HN 0.159 nan 8.240 nan 0.000 0.488 100 K N 0.758 121.116 120.400 -0.071 0.000 2.132 100 K HA 0.382 4.702 4.320 -0.001 0.000 0.240 100 K C 1.373 177.936 176.600 -0.062 0.000 1.036 100 K CA -0.326 55.923 56.287 -0.063 0.000 0.888 100 K CB 0.839 33.308 32.500 -0.051 0.000 1.071 100 K HN -0.141 nan 8.250 nan 0.000 0.502 101 V N 1.037 120.923 119.914 -0.047 0.000 2.323 101 V HA -0.175 3.944 4.120 -0.001 0.000 0.244 101 V C 1.937 178.011 176.094 -0.033 0.000 1.041 101 V CA 1.512 63.796 62.300 -0.027 0.000 1.025 101 V CB -0.504 31.321 31.823 0.003 0.000 0.656 101 V HN 0.653 nan 8.190 nan 0.000 0.451 102 E N 0.471 120.650 120.200 -0.035 0.000 2.209 102 E HA -0.216 4.134 4.350 -0.001 0.000 0.196 102 E C 1.875 178.459 176.600 -0.027 0.000 0.993 102 E CA 1.347 57.730 56.400 -0.028 0.000 0.819 102 E CB -0.374 29.310 29.700 -0.027 0.000 0.745 102 E HN 0.634 nan 8.360 nan 0.000 0.477 103 D N 0.313 120.693 120.400 -0.032 0.000 2.077 103 D HA -0.092 4.548 4.640 -0.001 0.000 0.196 103 D C 1.942 178.219 176.300 -0.039 0.000 0.986 103 D CA 1.639 55.620 54.000 -0.031 0.000 0.829 103 D CB -0.620 40.159 40.800 -0.036 0.000 0.983 103 D HN 0.120 nan 8.370 nan 0.000 0.453 104 T N 1.482 116.002 114.554 -0.056 0.000 2.685 104 T HA -0.209 4.141 4.350 -0.001 0.000 0.268 104 T C 2.014 176.677 174.700 -0.061 0.000 1.034 104 T CA 1.351 63.409 62.100 -0.070 0.000 1.149 104 T CB -0.187 68.629 68.868 -0.087 0.000 0.860 104 T HN 0.160 nan 8.240 nan 0.000 0.449 105 R N 0.895 121.368 120.500 -0.044 0.000 2.083 105 R HA -0.110 4.229 4.340 -0.001 0.000 0.237 105 R C 2.291 178.567 176.300 -0.039 0.000 1.137 105 R CA 1.698 57.775 56.100 -0.038 0.000 0.951 105 R CB -0.386 29.899 30.300 -0.025 0.000 0.851 105 R HN 0.389 nan 8.270 nan 0.000 0.434 106 D N 0.612 120.994 120.400 -0.029 0.000 2.182 106 D HA -0.161 4.479 4.640 -0.001 0.000 0.201 106 D C 1.901 178.186 176.300 -0.026 0.000 0.986 106 D CA 1.102 55.090 54.000 -0.019 0.000 0.847 106 D CB -0.165 40.634 40.800 -0.002 0.000 0.942 106 D HN 0.217 nan 8.370 nan 0.000 0.467 107 L N 0.070 121.266 121.223 -0.046 0.000 2.027 107 L HA -0.096 4.244 4.340 -0.001 0.000 0.206 107 L C 2.578 179.370 176.870 -0.130 0.000 1.074 107 L CA 0.614 55.406 54.840 -0.080 0.000 0.745 107 L CB -0.436 41.557 42.059 -0.111 0.000 0.898 107 L HN 0.020 nan 8.230 nan 0.000 0.433 108 L N -0.283 120.870 121.223 -0.116 0.000 2.013 108 L HA -0.288 4.052 4.340 -0.001 0.000 0.212 108 L C 2.294 179.109 176.870 -0.091 0.000 1.073 108 L CA 1.352 56.134 54.840 -0.096 0.000 0.753 108 L CB -0.886 41.129 42.059 -0.073 0.000 0.890 108 L HN 0.326 nan 8.230 nan 0.000 0.432 109 D N 0.080 120.428 120.400 -0.088 0.000 2.158 109 D HA -0.157 4.482 4.640 -0.001 0.000 0.197 109 D C 1.522 177.685 176.300 -0.227 0.000 0.995 109 D CA 1.118 55.044 54.000 -0.123 0.000 0.846 109 D CB -0.275 40.477 40.800 -0.080 0.000 0.941 109 D HN 0.331 nan 8.370 nan 0.000 0.456 110 N N 0.055 118.664 118.700 -0.152 0.000 2.276 110 N HA 0.019 4.759 4.740 -0.001 0.000 0.212 110 N C 1.385 176.877 175.510 -0.030 0.000 1.127 110 N CA -0.031 52.922 53.050 -0.161 0.000 0.834 110 N CB 1.091 39.604 38.487 0.042 0.000 1.014 110 N HN 0.057 nan 8.380 nan 0.000 0.491 111 V N 1.727 121.616 119.914 -0.041 0.000 2.346 111 V HA -0.260 3.859 4.120 -0.001 0.000 0.244 111 V C 2.582 178.736 176.094 0.099 0.000 1.037 111 V CA 1.627 63.974 62.300 0.078 0.000 1.029 111 V CB -0.375 31.473 31.823 0.042 0.000 0.663 111 V HN 0.402 nan 8.190 nan 0.000 0.454 112 Q N -0.173 119.629 119.800 0.003 0.000 2.082 112 Q HA -0.248 4.092 4.340 -0.001 0.000 0.211 112 Q C 0.441 176.612 176.000 0.286 0.000 1.002 112 Q CA 1.802 57.660 55.803 0.093 0.000 0.868 112 Q CB -0.901 27.814 28.738 -0.039 0.000 0.931 112 Q HN 0.527 nan 8.270 nan 0.000 0.414 113 Y N 1.593 121.999 120.300 0.175 0.000 2.717 113 Y HA 0.253 4.802 4.550 -0.001 0.000 0.330 113 Y C 0.735 176.768 175.900 0.222 0.000 1.217 113 Y CA -0.725 57.459 58.100 0.141 0.000 1.506 113 Y CB -0.313 38.202 38.460 0.091 0.000 1.268 113 Y HN 0.280 nan 8.280 nan 0.000 0.561 114 A N 6.580 129.561 122.820 0.268 0.000 2.351 114 A HA 0.450 4.770 4.320 -0.001 0.000 0.257 114 A C -2.007 175.670 177.584 0.155 0.000 1.087 114 A CA -1.512 50.628 52.037 0.170 0.000 0.798 114 A CB -0.526 18.434 19.000 -0.066 0.000 1.033 114 A HN 0.562 nan 8.150 nan 0.000 0.488 115 P HA 0.103 nan 4.420 nan 0.000 0.265 115 P C 0.556 177.848 177.300 -0.013 0.000 1.187 115 P CA 0.666 63.794 63.100 0.047 0.000 0.766 115 P CB 0.810 32.543 31.700 0.055 0.000 0.820 116 A N 3.664 126.443 122.820 -0.069 0.000 1.975 116 A HA -0.034 4.285 4.320 -0.001 0.000 0.215 116 A C 1.932 179.472 177.584 -0.072 0.000 1.170 116 A CA 1.010 53.000 52.037 -0.078 0.000 0.656 116 A CB -0.173 18.760 19.000 -0.111 0.000 0.821 116 A HN 0.518 nan 8.150 nan 0.000 0.449 117 R N -2.129 118.318 120.500 -0.090 0.000 2.591 117 R HA 0.167 4.506 4.340 -0.001 0.000 0.288 117 R C 0.514 176.862 176.300 0.080 0.000 0.947 117 R CA 0.635 56.727 56.100 -0.013 0.000 1.085 117 R CB 1.165 31.461 30.300 -0.006 0.000 1.618 117 R HN 0.428 nan 8.270 nan 0.000 0.524 118 G N -0.618 108.230 108.800 0.080 0.000 2.685 118 G HA2 0.293 4.253 3.960 -0.001 0.000 0.298 118 G HA3 0.293 4.253 3.960 -0.001 0.000 0.298 118 G C 0.262 175.187 174.900 0.043 0.000 1.277 118 G CA -0.540 44.661 45.100 0.168 0.000 0.986 118 G HN -0.068 nan 8.290 nan 0.000 0.487 119 R N -1.319 119.173 120.500 -0.014 0.000 2.127 119 R HA -0.010 4.330 4.340 -0.001 0.000 0.238 119 R C -0.280 175.732 176.300 -0.480 0.000 1.134 119 R CA 1.207 57.131 56.100 -0.294 0.000 0.975 119 R CB -0.145 29.901 30.300 -0.423 0.000 0.865 119 R HN 0.364 nan 8.270 nan 0.000 0.447 120 F N -0.754 119.247 119.950 0.085 0.000 2.588 120 F HA 0.350 4.877 4.527 -0.001 0.000 0.310 120 F C -0.224 175.572 175.800 -0.006 0.000 1.082 120 F CA -1.069 56.961 58.000 0.051 0.000 0.929 120 F CB 1.586 40.610 39.000 0.039 0.000 1.254 120 F HN -0.418 nan 8.300 nan 0.000 0.455 121 K N 2.122 122.586 120.400 0.106 0.000 2.262 121 K HA 0.607 4.926 4.320 -0.001 0.000 0.282 121 K C -1.377 175.073 176.600 -0.250 0.000 1.066 121 K CA -0.304 55.899 56.287 -0.140 0.000 0.901 121 K CB 0.902 33.264 32.500 -0.229 0.000 1.089 121 K HN 0.461 nan 8.250 nan 0.000 0.476 122 V N 6.035 125.796 119.914 -0.254 0.000 2.334 122 V HA 0.217 4.337 4.120 -0.001 0.000 0.281 122 V C -0.908 174.984 176.094 -0.336 0.000 1.016 122 V CA -0.861 61.304 62.300 -0.226 0.000 0.832 122 V CB 0.450 32.246 31.823 -0.044 0.000 0.999 122 V HN 0.597 nan 8.190 nan 0.000 0.439 123 Y N 5.185 125.409 120.300 -0.126 0.000 2.365 123 Y HA 0.504 5.054 4.550 -0.001 0.000 0.340 123 Y C 0.051 175.998 175.900 0.079 0.000 1.016 123 Y CA -0.595 57.494 58.100 -0.020 0.000 1.196 123 Y CB 1.313 39.768 38.460 -0.009 0.000 1.167 123 Y HN 0.537 nan 8.280 nan 0.000 0.509 124 L N 6.078 127.431 121.223 0.218 0.000 2.295 124 L HA 0.527 4.867 4.340 -0.001 0.000 0.281 124 L C -1.083 175.911 176.870 0.207 0.000 1.018 124 L CA -0.710 54.255 54.840 0.209 0.000 0.841 124 L CB 0.137 42.279 42.059 0.139 0.000 1.218 124 L HN 0.524 nan 8.230 nan 0.000 0.424 125 I N 4.661 125.370 120.570 0.232 0.000 2.282 125 I HA 0.244 4.413 4.170 -0.001 0.000 0.290 125 I C -0.163 176.032 176.117 0.130 0.000 1.090 125 I CA -0.280 61.122 61.300 0.171 0.000 1.231 125 I CB 0.499 38.601 38.000 0.169 0.000 1.434 125 I HN 0.566 nan 8.210 nan 0.000 0.487 126 D N 5.566 126.022 120.400 0.094 0.000 2.253 126 D HA 0.137 4.777 4.640 -0.001 0.000 0.249 126 D C 0.386 176.701 176.300 0.024 0.000 1.049 126 D CA 0.142 54.188 54.000 0.077 0.000 0.929 126 D CB 0.925 41.765 40.800 0.067 0.000 1.176 126 D HN 0.310 nan 8.370 nan 0.000 0.437 127 E N 0.700 120.917 120.200 0.028 0.000 2.269 127 E HA -0.165 4.185 4.350 -0.001 0.000 0.223 127 E C 0.832 177.243 176.600 -0.314 0.000 1.244 127 E CA 0.224 56.570 56.400 -0.091 0.000 0.713 127 E CB -1.840 27.807 29.700 -0.088 0.000 1.178 127 E HN 0.252 nan 8.360 nan 0.000 0.370 128 V N 1.262 121.127 119.914 -0.081 0.000 3.444 128 V HA -0.162 3.958 4.120 -0.001 0.000 0.271 128 V C 2.120 178.239 176.094 0.042 0.000 1.188 128 V CA 1.798 64.085 62.300 -0.022 0.000 1.168 128 V CB -0.585 31.308 31.823 0.117 0.000 0.810 128 V HN 0.594 nan 8.190 nan 0.000 0.500 129 H N -2.192 116.983 119.070 0.175 0.000 2.547 129 H HA 0.104 4.659 4.556 -0.001 0.000 0.266 129 H C 1.544 176.990 175.328 0.198 0.000 0.988 129 H CA 0.228 56.426 56.048 0.251 0.000 1.147 129 H CB -0.018 29.839 29.762 0.159 0.000 1.365 129 H HN 0.379 nan 8.280 nan 0.000 0.589 130 M N 1.031 120.508 119.600 -0.204 0.000 2.465 130 M HA 0.202 4.682 4.480 -0.001 0.000 0.249 130 M C 0.732 176.953 176.300 -0.131 0.000 1.130 130 M CA -0.189 55.047 55.300 -0.107 0.000 1.067 130 M CB 0.139 32.618 32.600 -0.202 0.000 1.394 130 M HN 0.163 nan 8.290 nan 0.000 0.483 131 L N 2.263 123.295 121.223 -0.317 0.000 2.578 131 L HA -0.045 4.294 4.340 -0.001 0.000 0.279 131 L C 1.053 177.666 176.870 -0.429 0.000 1.227 131 L CA -0.184 54.331 54.840 -0.541 0.000 0.900 131 L CB 0.006 41.403 42.059 -1.104 0.000 1.144 131 L HN 0.328 nan 8.230 nan 0.000 0.496 132 S N 3.416 118.986 115.700 -0.216 0.000 2.572 132 S HA -0.032 4.438 4.470 -0.001 0.000 0.267 132 S C 1.117 175.743 174.600 0.043 0.000 1.361 132 S CA -0.308 57.871 58.200 -0.035 0.000 1.009 132 S CB 0.793 63.996 63.200 0.005 0.000 0.888 132 S HN 0.756 nan 8.310 nan 0.000 0.553 133 R N 0.215 120.831 120.500 0.194 0.000 2.105 133 R HA -0.162 4.178 4.340 -0.001 0.000 0.239 133 R C 2.053 178.451 176.300 0.162 0.000 1.135 133 R CA 1.646 57.898 56.100 0.254 0.000 0.967 133 R CB -0.508 29.883 30.300 0.152 0.000 0.861 133 R HN 0.853 nan 8.270 nan 0.000 0.442 134 H N -0.425 118.672 119.070 0.046 0.000 2.321 134 H HA -0.085 4.470 4.556 -0.001 0.000 0.300 134 H C 2.297 177.620 175.328 -0.009 0.000 1.087 134 H CA 2.017 58.075 56.048 0.016 0.000 1.319 134 H CB 0.025 29.784 29.762 -0.006 0.000 1.379 134 H HN 0.392 nan 8.280 nan 0.000 0.501 135 S N 0.172 115.903 115.700 0.053 0.000 2.453 135 S HA -0.081 4.388 4.470 -0.001 0.000 0.231 135 S C 2.053 176.593 174.600 -0.101 0.000 1.005 135 S CA 0.266 58.429 58.200 -0.061 0.000 0.949 135 S CB -0.755 62.367 63.200 -0.129 0.000 0.774 135 S HN 0.226 nan 8.310 nan 0.000 0.510 136 F N 3.106 123.044 119.950 -0.019 0.000 2.046 136 F HA -0.112 4.415 4.527 -0.001 0.000 0.297 136 F C 2.755 178.515 175.800 -0.067 0.000 1.123 136 F CA 1.623 59.595 58.000 -0.046 0.000 1.199 136 F CB -0.536 38.442 39.000 -0.037 0.000 0.972 136 F HN 0.273 nan 8.300 nan 0.000 0.474 137 N N 0.418 119.198 118.700 0.134 0.000 2.205 137 N HA -0.179 4.561 4.740 -0.001 0.000 0.186 137 N C 1.906 177.416 175.510 -0.000 0.000 1.015 137 N CA 1.072 54.140 53.050 0.029 0.000 0.862 137 N CB -0.413 38.057 38.487 -0.028 0.000 0.986 137 N HN 0.264 nan 8.380 nan 0.000 0.429 138 A N 1.756 124.575 122.820 -0.001 0.000 1.972 138 A HA -0.061 4.259 4.320 -0.001 0.000 0.219 138 A C 2.237 179.791 177.584 -0.051 0.000 1.169 138 A CA 0.816 52.839 52.037 -0.022 0.000 0.635 138 A CB -0.553 18.436 19.000 -0.018 0.000 0.810 138 A HN 0.190 nan 8.150 nan 0.000 0.446 139 L N -0.571 120.618 121.223 -0.057 0.000 2.376 139 L HA -0.089 4.250 4.340 -0.001 0.000 0.219 139 L C 2.365 179.168 176.870 -0.113 0.000 1.133 139 L CA 0.349 55.117 54.840 -0.119 0.000 0.816 139 L CB -0.403 41.586 42.059 -0.117 0.000 0.933 139 L HN 0.433 nan 8.230 nan 0.000 0.449 140 L N -0.067 121.123 121.223 -0.055 0.000 1.970 140 L HA -0.291 4.049 4.340 -0.001 0.000 0.212 140 L C 2.625 179.464 176.870 -0.053 0.000 1.071 140 L CA 1.784 56.596 54.840 -0.047 0.000 0.751 140 L CB -0.407 41.634 42.059 -0.030 0.000 0.889 140 L HN 0.263 nan 8.230 nan 0.000 0.432 141 K N -0.851 119.522 120.400 -0.046 0.000 2.097 141 K HA -0.096 4.224 4.320 -0.001 0.000 0.205 141 K C 1.857 178.431 176.600 -0.042 0.000 1.050 141 K CA 1.703 57.969 56.287 -0.035 0.000 0.938 141 K CB -0.194 32.291 32.500 -0.026 0.000 0.718 141 K HN 0.332 nan 8.250 nan 0.000 0.442 142 T N 1.403 115.919 114.554 -0.063 0.000 3.072 142 T HA -0.063 4.286 4.350 -0.001 0.000 0.266 142 T C 1.532 176.185 174.700 -0.079 0.000 1.127 142 T CA 0.642 62.712 62.100 -0.050 0.000 1.107 142 T CB 0.037 68.874 68.868 -0.052 0.000 0.910 142 T HN 0.052 nan 8.240 nan 0.000 0.513 143 L N 0.679 121.816 121.223 -0.144 0.000 2.463 143 L HA 0.312 4.652 4.340 -0.001 0.000 0.219 143 L C 2.267 179.175 176.870 0.064 0.000 1.088 143 L CA 0.942 55.688 54.840 -0.157 0.000 0.849 143 L CB -0.027 41.882 42.059 -0.250 0.000 1.012 143 L HN 0.185 nan 8.230 nan 0.000 0.468 144 E N -0.053 120.162 120.200 0.026 0.000 2.190 144 E HA -0.060 4.290 4.350 -0.001 0.000 0.191 144 E C 0.180 176.756 176.600 -0.040 0.000 0.978 144 E CA 0.690 57.141 56.400 0.084 0.000 0.839 144 E CB 0.244 29.968 29.700 0.039 0.000 0.787 144 E HN 0.503 nan 8.360 nan 0.000 0.473 145 E N 1.365 121.500 120.200 -0.109 0.000 3.909 145 E HA 0.223 4.573 4.350 -0.001 0.000 0.236 145 E C -2.472 174.069 176.600 -0.099 0.000 1.222 145 E CA -1.556 54.763 56.400 -0.135 0.000 1.205 145 E CB 1.510 31.179 29.700 -0.051 0.000 1.249 145 E HN 0.232 nan 8.360 nan 0.000 0.411 146 P HA 0.206 nan 4.420 nan 0.000 0.282 146 P C -2.502 174.816 177.300 0.030 0.000 1.286 146 P CA -1.116 61.994 63.100 0.015 0.000 0.777 146 P CB -0.132 31.610 31.700 0.071 0.000 1.184 147 P HA 0.254 nan 4.420 nan 0.000 0.282 147 P C 0.549 177.988 177.300 0.230 0.000 1.259 147 P CA -0.337 62.877 63.100 0.189 0.000 0.826 147 P CB 0.654 32.569 31.700 0.358 0.000 1.064 148 E N 0.221 120.590 120.200 0.281 0.000 2.171 148 E HA -0.231 4.119 4.350 -0.001 0.000 0.197 148 E C 1.084 177.899 176.600 0.357 0.000 0.997 148 E CA 1.143 57.696 56.400 0.256 0.000 0.810 148 E CB -0.151 29.657 29.700 0.180 0.000 0.738 148 E HN 0.595 nan 8.360 nan 0.000 0.467 149 H N -1.490 117.677 119.070 0.162 0.000 2.520 149 H HA 0.254 4.809 4.556 -0.001 0.000 0.284 149 H C 0.061 175.560 175.328 0.284 0.000 1.037 149 H CA -0.159 56.007 56.048 0.196 0.000 1.168 149 H CB -0.490 29.309 29.762 0.061 0.000 1.497 149 H HN -0.166 nan 8.280 nan 0.000 0.547 150 V N 2.036 121.878 119.914 -0.120 0.000 2.581 150 V HA 0.374 4.493 4.120 -0.001 0.000 0.303 150 V C -0.194 175.859 176.094 -0.068 0.000 1.041 150 V CA -0.846 61.341 62.300 -0.189 0.000 0.907 150 V CB 2.129 33.796 31.823 -0.261 0.000 0.994 150 V HN 0.181 nan 8.190 nan 0.000 0.442 151 K N 3.615 123.909 120.400 -0.177 0.000 2.468 151 K HA 0.573 4.893 4.320 -0.001 0.000 0.252 151 K C -1.582 174.891 176.600 -0.211 0.000 0.932 151 K CA -0.382 55.844 56.287 -0.102 0.000 0.794 151 K CB 2.544 34.978 32.500 -0.110 0.000 1.241 151 K HN 0.430 nan 8.250 nan 0.000 0.428 152 F N 2.365 122.467 119.950 0.253 0.000 2.411 152 F HA 0.421 4.947 4.527 -0.001 0.000 0.352 152 F C 0.338 176.289 175.800 0.251 0.000 1.123 152 F CA -0.758 57.391 58.000 0.249 0.000 1.044 152 F CB 1.082 40.202 39.000 0.200 0.000 1.135 152 F HN 0.093 nan 8.300 nan 0.000 0.461 153 L N 5.755 127.221 121.223 0.405 0.000 2.324 153 L HA 0.403 4.742 4.340 -0.001 0.000 0.274 153 L C -1.116 175.963 176.870 0.347 0.000 1.012 153 L CA -0.751 54.316 54.840 0.379 0.000 0.859 153 L CB 0.883 43.139 42.059 0.328 0.000 1.224 153 L HN 0.393 nan 8.230 nan 0.000 0.429 154 L N 3.128 124.531 121.223 0.300 0.000 2.307 154 L HA 0.736 5.076 4.340 -0.001 0.000 0.282 154 L C 0.296 177.335 176.870 0.282 0.000 1.051 154 L CA 0.079 55.066 54.840 0.244 0.000 0.804 154 L CB 1.600 43.762 42.059 0.172 0.000 1.197 154 L HN 0.617 nan 8.230 nan 0.000 0.431 155 A N 1.796 124.770 122.820 0.256 0.000 2.435 155 A HA 0.888 5.207 4.320 -0.001 0.000 0.304 155 A C -0.608 177.102 177.584 0.211 0.000 1.064 155 A CA -0.484 51.716 52.037 0.272 0.000 0.727 155 A CB 1.989 21.145 19.000 0.260 0.000 1.284 155 A HN 0.547 nan 8.150 nan 0.000 0.415 156 T N -0.130 114.552 114.554 0.213 0.000 3.047 156 T HA 0.511 4.860 4.350 -0.001 0.000 0.340 156 T C 0.918 175.723 174.700 0.175 0.000 1.421 156 T CA 0.449 62.698 62.100 0.249 0.000 1.090 156 T CB 1.210 70.282 68.868 0.340 0.000 1.292 156 T HN 1.773 nan 8.240 nan 0.000 0.480 157 A N 2.768 125.684 122.820 0.160 0.000 1.892 157 A HA 0.073 4.392 4.320 -0.001 0.000 0.218 157 A C 0.669 178.262 177.584 0.014 0.000 1.188 157 A CA 2.065 54.135 52.037 0.055 0.000 0.631 157 A CB -0.475 18.541 19.000 0.027 0.000 0.822 157 A HN 0.893 nan 8.150 nan 0.000 0.447 158 D N -2.635 117.735 120.400 -0.050 0.000 2.549 158 D HA 0.414 5.053 4.640 -0.001 0.000 0.251 158 D C -2.856 173.463 176.300 0.031 0.000 1.153 158 D CA -1.951 52.034 54.000 -0.026 0.000 0.861 158 D CB 1.455 42.203 40.800 -0.087 0.000 1.207 158 D HN 0.020 nan 8.370 nan 0.000 0.543 159 P HA 0.008 nan 4.420 nan 0.000 0.235 159 P C 1.230 178.544 177.300 0.024 0.000 1.177 159 P CA 0.709 63.856 63.100 0.079 0.000 0.785 159 P CB 0.504 32.267 31.700 0.105 0.000 0.885 160 Q N 0.017 119.823 119.800 0.010 0.000 2.226 160 Q HA -0.144 4.196 4.340 -0.001 0.000 0.204 160 Q C 1.791 177.773 176.000 -0.030 0.000 0.975 160 Q CA 1.098 56.889 55.803 -0.019 0.000 0.866 160 Q CB -0.426 28.301 28.738 -0.018 0.000 0.915 160 Q HN 0.143 nan 8.270 nan 0.000 0.440 161 K N 0.615 121.014 120.400 -0.000 0.000 2.211 161 K HA -0.034 4.286 4.320 -0.001 0.000 0.204 161 K C 0.432 176.993 176.600 -0.065 0.000 1.047 161 K CA 0.559 56.860 56.287 0.024 0.000 0.935 161 K CB -0.091 32.482 32.500 0.122 0.000 0.728 161 K HN 0.121 nan 8.250 nan 0.000 0.452 162 L N 2.784 123.925 121.223 -0.135 0.000 2.410 162 L HA 0.143 4.482 4.340 -0.001 0.000 0.273 162 L C -2.011 174.619 176.870 -0.400 0.000 1.152 162 L CA -1.965 52.625 54.840 -0.418 0.000 0.855 162 L CB -0.025 41.893 42.059 -0.234 0.000 1.129 162 L HN -0.034 nan 8.230 nan 0.000 0.463 163 P HA -0.024 nan 4.420 nan 0.000 0.266 163 P C 0.999 178.158 177.300 -0.235 0.000 1.193 163 P CA -0.284 62.611 63.100 -0.342 0.000 0.770 163 P CB 0.630 32.110 31.700 -0.368 0.000 0.836 164 V N 1.684 121.506 119.914 -0.154 0.000 2.407 164 V HA -0.258 3.861 4.120 -0.001 0.000 0.248 164 V C 2.321 178.349 176.094 -0.111 0.000 1.055 164 V CA 2.622 64.851 62.300 -0.119 0.000 1.049 164 V CB -2.264 29.506 31.823 -0.089 0.000 0.662 164 V HN 0.700 nan 8.190 nan 0.000 0.455 165 T N -0.742 113.748 114.554 -0.106 0.000 2.760 165 T HA -0.208 4.142 4.350 -0.001 0.000 0.269 165 T C 1.810 176.455 174.700 -0.092 0.000 1.047 165 T CA 1.690 63.738 62.100 -0.086 0.000 1.139 165 T CB -0.405 68.418 68.868 -0.074 0.000 0.855 165 T HN 0.310 nan 8.240 nan 0.000 0.471 166 I N 1.064 121.555 120.570 -0.133 0.000 2.277 166 I HA 0.039 4.208 4.170 -0.001 0.000 0.243 166 I C 2.589 178.644 176.117 -0.103 0.000 1.094 166 I CA 0.855 62.087 61.300 -0.113 0.000 1.393 166 I CB -1.034 36.877 38.000 -0.150 0.000 1.078 166 I HN 0.297 nan 8.210 nan 0.000 0.417 167 L N 0.751 121.902 121.223 -0.121 0.000 1.970 167 L HA -0.248 4.092 4.340 -0.001 0.000 0.212 167 L C 2.747 179.549 176.870 -0.113 0.000 1.071 167 L CA 1.897 56.668 54.840 -0.115 0.000 0.751 167 L CB -0.904 41.089 42.059 -0.110 0.000 0.889 167 L HN 0.309 nan 8.230 nan 0.000 0.432 168 S N 0.004 115.648 115.700 -0.094 0.000 2.461 168 S HA -0.263 4.207 4.470 -0.001 0.000 0.249 168 S C 1.953 176.511 174.600 -0.070 0.000 1.012 168 S CA 1.495 59.648 58.200 -0.078 0.000 0.982 168 S CB -0.368 62.797 63.200 -0.059 0.000 0.764 168 S HN 0.408 nan 8.310 nan 0.000 0.506 169 R N -0.369 120.089 120.500 -0.070 0.000 2.290 169 R HA 0.265 4.604 4.340 -0.001 0.000 0.197 169 R C 0.257 176.499 176.300 -0.096 0.000 0.913 169 R CA 0.572 56.654 56.100 -0.030 0.000 1.040 169 R CB 0.259 30.561 30.300 0.002 0.000 0.992 169 R HN 0.614 nan 8.270 nan 0.000 0.500 170 C N -1.019 118.149 119.300 -0.219 0.000 2.848 170 C HA 0.525 4.984 4.460 -0.001 0.000 0.317 170 C C 0.078 174.723 174.990 -0.575 0.000 1.260 170 C CA -1.665 57.086 59.018 -0.444 0.000 1.656 170 C CB 0.881 28.436 27.740 -0.308 0.000 2.174 170 C HN 0.097 nan 8.230 nan 0.000 0.479 171 L N 2.178 122.878 121.223 -0.872 0.000 2.361 171 L HA 0.250 4.589 4.340 -0.001 0.000 0.278 171 L C 0.118 176.598 176.870 -0.649 0.000 1.113 171 L CA 0.535 54.913 54.840 -0.771 0.000 0.849 171 L CB 0.504 42.041 42.059 -0.871 0.000 1.155 171 L HN 0.800 nan 8.230 nan 0.000 0.452 172 Q N 4.431 123.895 119.800 -0.561 0.000 2.340 172 Q HA 0.416 4.755 4.340 -0.001 0.000 0.259 172 Q C -1.347 174.378 176.000 -0.458 0.000 0.964 172 Q CA -0.410 55.158 55.803 -0.391 0.000 0.900 172 Q CB 1.205 29.828 28.738 -0.192 0.000 1.228 172 Q HN 0.332 nan 8.270 nan 0.000 0.449 173 F N 1.664 121.567 119.950 -0.078 0.000 2.332 173 F HA 0.192 4.719 4.527 -0.001 0.000 0.368 173 F C 0.046 175.952 175.800 0.177 0.000 1.110 173 F CA -0.842 57.196 58.000 0.063 0.000 1.087 173 F CB 0.780 39.821 39.000 0.068 0.000 1.235 173 F HN 0.599 nan 8.300 nan 0.000 0.470 174 H N 4.443 123.692 119.070 0.300 0.000 2.690 174 H HA 0.458 5.014 4.556 -0.001 0.000 0.289 174 H C -0.456 175.080 175.328 0.346 0.000 1.089 174 H CA -0.442 55.757 56.048 0.252 0.000 1.299 174 H CB 0.442 30.290 29.762 0.144 0.000 1.405 174 H HN 0.489 nan 8.280 nan 0.000 0.463 175 L N 4.211 125.490 121.223 0.094 0.000 2.416 175 L HA 0.218 4.558 4.340 -0.001 0.000 0.272 175 L C 0.426 177.376 176.870 0.133 0.000 1.161 175 L CA -0.235 54.700 54.840 0.158 0.000 0.845 175 L CB 0.488 42.562 42.059 0.026 0.000 1.119 175 L HN 0.509 nan 8.230 nan 0.000 0.464 176 K N 1.770 122.303 120.400 0.222 0.000 2.118 176 K HA 0.571 4.891 4.320 -0.001 0.000 0.264 176 K C 0.057 176.703 176.600 0.076 0.000 1.000 176 K CA -0.647 55.721 56.287 0.135 0.000 0.929 176 K CB 1.375 33.927 32.500 0.086 0.000 1.021 176 K HN 0.734 nan 8.250 nan 0.000 0.463 177 A N 2.477 125.332 122.820 0.058 0.000 2.386 177 A HA 0.253 4.572 4.320 -0.001 0.000 0.246 177 A C -0.159 177.442 177.584 0.027 0.000 1.089 177 A CA -0.308 51.749 52.037 0.034 0.000 0.790 177 A CB 0.012 19.032 19.000 0.033 0.000 1.042 177 A HN 0.614 nan 8.150 nan 0.000 0.497 178 L N 1.010 122.242 121.223 0.015 0.000 2.325 178 L HA 0.303 4.643 4.340 -0.001 0.000 0.279 178 L C -0.383 176.492 176.870 0.008 0.000 1.054 178 L CA -0.796 54.050 54.840 0.010 0.000 0.804 178 L CB 0.985 43.044 42.059 0.000 0.000 1.200 178 L HN 0.638 nan 8.230 nan 0.000 0.436 179 D N 0.721 121.125 120.400 0.007 0.000 2.449 179 D HA 0.009 4.649 4.640 -0.001 0.000 0.236 179 D C 1.241 177.545 176.300 0.007 0.000 1.149 179 D CA -0.131 53.873 54.000 0.008 0.000 0.878 179 D CB 1.102 41.905 40.800 0.006 0.000 1.198 179 D HN 0.251 nan 8.370 nan 0.000 0.446 180 V N 1.509 121.429 119.914 0.009 0.000 2.250 180 V HA -0.324 3.796 4.120 -0.001 0.000 0.253 180 V C 2.194 178.294 176.094 0.010 0.000 1.065 180 V CA 2.259 64.564 62.300 0.008 0.000 1.039 180 V CB -0.683 31.146 31.823 0.009 0.000 0.647 180 V HN 0.612 nan 8.190 nan 0.000 0.446 181 E N 0.379 120.588 120.200 0.015 0.000 2.077 181 E HA -0.230 4.120 4.350 -0.001 0.000 0.193 181 E C 2.232 178.855 176.600 0.039 0.000 0.989 181 E CA 1.756 58.172 56.400 0.027 0.000 0.800 181 E CB -0.413 29.304 29.700 0.028 0.000 0.746 181 E HN 0.700 nan 8.360 nan 0.000 0.452 182 Q N -0.119 119.692 119.800 0.018 0.000 2.061 182 Q HA -0.136 4.204 4.340 -0.001 0.000 0.204 182 Q C 2.442 178.451 176.000 0.015 0.000 0.984 182 Q CA 1.812 57.619 55.803 0.006 0.000 0.846 182 Q CB -0.233 28.498 28.738 -0.013 0.000 0.902 182 Q HN 0.393 nan 8.270 nan 0.000 0.421 183 I N 0.273 120.845 120.570 0.004 0.000 2.127 183 I HA -0.335 3.835 4.170 -0.001 0.000 0.241 183 I C 2.691 178.802 176.117 -0.010 0.000 1.075 183 I CA 1.211 62.506 61.300 -0.008 0.000 1.334 183 I CB -0.392 37.600 38.000 -0.013 0.000 1.040 183 I HN 0.228 nan 8.210 nan 0.000 0.405 184 R N 0.064 120.562 120.500 -0.003 0.000 2.097 184 R HA -0.273 4.066 4.340 -0.001 0.000 0.236 184 R C 2.612 178.896 176.300 -0.026 0.000 1.135 184 R CA 2.025 58.110 56.100 -0.025 0.000 0.934 184 R CB -0.624 29.667 30.300 -0.015 0.000 0.846 184 R HN 0.422 nan 8.270 nan 0.000 0.431 185 H N 0.282 119.315 119.070 -0.061 0.000 2.321 185 H HA -0.224 4.332 4.556 -0.001 0.000 0.295 185 H C 2.070 177.353 175.328 -0.076 0.000 1.102 185 H CA 2.504 58.515 56.048 -0.061 0.000 1.266 185 H CB -0.004 29.725 29.762 -0.054 0.000 1.363 185 H HN 0.279 nan 8.280 nan 0.000 0.492 186 Q N 0.548 120.399 119.800 0.086 0.000 2.050 186 Q HA -0.074 4.265 4.340 -0.001 0.000 0.202 186 Q C 2.800 178.738 176.000 -0.102 0.000 0.980 186 Q CA 1.410 57.213 55.803 0.000 0.000 0.840 186 Q CB -0.458 28.259 28.738 -0.035 0.000 0.898 186 Q HN 0.490 nan 8.270 nan 0.000 0.424 187 L N 0.222 121.369 121.223 -0.125 0.000 2.127 187 L HA -0.217 4.123 4.340 -0.001 0.000 0.211 187 L C 2.444 179.149 176.870 -0.276 0.000 1.089 187 L CA 1.745 56.468 54.840 -0.193 0.000 0.757 187 L CB -0.448 41.517 42.059 -0.158 0.000 0.899 187 L HN 0.454 nan 8.230 nan 0.000 0.434 188 E N -0.691 119.350 120.200 -0.264 0.000 2.016 188 E HA -0.247 4.102 4.350 -0.001 0.000 0.190 188 E C 2.233 178.681 176.600 -0.255 0.000 0.985 188 E CA 0.788 56.980 56.400 -0.347 0.000 0.802 188 E CB -0.098 29.423 29.700 -0.297 0.000 0.762 188 E HN 0.420 nan 8.360 nan 0.000 0.448 189 H N 0.799 119.712 119.070 -0.260 0.000 2.289 189 H HA -0.189 4.367 4.556 -0.001 0.000 0.294 189 H C 2.190 177.302 175.328 -0.360 0.000 1.095 189 H CA 2.185 58.098 56.048 -0.225 0.000 1.256 189 H CB -0.131 29.553 29.762 -0.131 0.000 1.359 189 H HN 0.238 nan 8.280 nan 0.000 0.487 190 I N 0.583 120.850 120.570 -0.505 0.000 2.179 190 I HA -0.296 3.874 4.170 -0.001 0.000 0.242 190 I C 2.775 178.569 176.117 -0.538 0.000 1.088 190 I CA 0.837 61.603 61.300 -0.889 0.000 1.357 190 I CB -0.335 37.059 38.000 -1.010 0.000 1.051 190 I HN 0.245 nan 8.210 nan 0.000 0.409 191 L N 0.523 121.519 121.223 -0.378 0.000 2.083 191 L HA -0.210 4.129 4.340 -0.001 0.000 0.209 191 L C 2.358 179.117 176.870 -0.185 0.000 1.083 191 L CA 1.154 55.852 54.840 -0.236 0.000 0.752 191 L CB -0.758 41.156 42.059 -0.243 0.000 0.899 191 L HN 0.333 nan 8.230 nan 0.000 0.433 192 N N 0.045 118.605 118.700 -0.233 0.000 2.028 192 N HA -0.181 4.559 4.740 -0.001 0.000 0.194 192 N C 1.719 176.983 175.510 -0.410 0.000 1.050 192 N CA 1.192 54.096 53.050 -0.244 0.000 0.848 192 N CB -0.374 37.993 38.487 -0.200 0.000 1.038 192 N HN 0.233 nan 8.380 nan 0.000 0.423 193 E N 0.979 120.945 120.200 -0.391 0.000 2.187 193 E HA -0.175 4.175 4.350 -0.001 0.000 0.199 193 E C 1.064 177.611 176.600 -0.089 0.000 1.004 193 E CA 0.848 57.098 56.400 -0.251 0.000 0.813 193 E CB -0.098 29.533 29.700 -0.115 0.000 0.736 193 E HN 0.452 nan 8.360 nan 0.000 0.468 194 E N 0.121 120.292 120.200 -0.048 0.000 2.489 194 E HA -0.041 4.309 4.350 -0.001 0.000 0.193 194 E C -0.517 176.157 176.600 0.124 0.000 1.057 194 E CA -0.123 56.344 56.400 0.111 0.000 0.866 194 E CB -0.037 29.729 29.700 0.110 0.000 0.916 194 E HN 0.333 nan 8.360 nan 0.000 0.500 195 H N -0.020 119.068 119.070 0.030 0.000 2.514 195 H HA -0.188 4.368 4.556 -0.001 0.000 0.318 195 H C -0.211 175.133 175.328 0.027 0.000 0.994 195 H CA 0.725 56.788 56.048 0.025 0.000 1.056 195 H CB -1.652 28.123 29.762 0.023 0.000 1.621 195 H HN 0.201 nan 8.280 nan 0.000 0.360 196 I N 0.803 121.425 120.570 0.087 0.000 2.497 196 I HA 0.308 4.478 4.170 -0.001 0.000 0.284 196 I C 0.770 176.949 176.117 0.104 0.000 1.060 196 I CA -0.637 60.711 61.300 0.080 0.000 1.071 196 I CB 1.751 39.782 38.000 0.052 0.000 1.216 196 I HN 0.449 nan 8.210 nan 0.000 0.442 197 A N 5.734 128.590 122.820 0.061 0.000 2.587 197 A HA 0.201 4.521 4.320 -0.001 0.000 0.235 197 A C -0.255 177.364 177.584 0.058 0.000 1.044 197 A CA 0.921 52.962 52.037 0.006 0.000 0.754 197 A CB -0.395 18.597 19.000 -0.013 0.000 0.968 197 A HN 0.934 nan 8.150 nan 0.000 0.509 198 H N -1.042 118.010 119.070 -0.030 0.000 3.079 198 H HA 0.676 5.231 4.556 -0.001 0.000 0.356 198 H C -1.164 174.145 175.328 -0.032 0.000 1.221 198 H CA -0.823 55.205 56.048 -0.034 0.000 1.185 198 H CB 0.641 30.374 29.762 -0.048 0.000 1.882 198 H HN 0.548 nan 8.280 nan 0.000 0.543 199 E N 3.432 123.671 120.200 0.065 0.000 2.227 199 E HA 0.135 4.484 4.350 -0.001 0.000 0.282 199 E C -1.585 175.093 176.600 0.131 0.000 1.015 199 E CA -2.197 54.221 56.400 0.030 0.000 0.823 199 E CB 1.426 31.134 29.700 0.013 0.000 1.081 199 E HN 0.565 nan 8.360 nan 0.000 0.396 200 P HA -0.246 nan 4.420 nan 0.000 0.217 200 P C 1.173 178.506 177.300 0.055 0.000 1.148 200 P CA 1.338 64.504 63.100 0.111 0.000 0.828 200 P CB 0.328 32.057 31.700 0.048 0.000 0.783 201 R N 0.214 120.734 120.500 0.033 0.000 2.093 201 R HA 0.053 4.393 4.340 -0.001 0.000 0.224 201 R C 2.408 178.715 176.300 0.012 0.000 1.101 201 R CA 1.198 57.307 56.100 0.016 0.000 0.979 201 R CB -0.868 29.437 30.300 0.009 0.000 0.877 201 R HN 0.009 nan 8.270 nan 0.000 0.441 202 A N 1.253 124.085 122.820 0.019 0.000 2.032 202 A HA -0.164 4.156 4.320 -0.001 0.000 0.221 202 A C 2.080 179.660 177.584 -0.006 0.000 1.165 202 A CA 1.329 53.372 52.037 0.010 0.000 0.645 202 A CB -0.519 18.494 19.000 0.022 0.000 0.807 202 A HN 0.361 nan 8.150 nan 0.000 0.453 203 L N -1.792 119.425 121.223 -0.010 0.000 2.068 203 L HA -0.180 4.159 4.340 -0.001 0.000 0.204 203 L C 2.822 179.672 176.870 -0.033 0.000 1.076 203 L CA 1.515 56.326 54.840 -0.048 0.000 0.753 203 L CB -0.787 41.217 42.059 -0.092 0.000 0.910 203 L HN 0.447 nan 8.230 nan 0.000 0.439 204 Q N 0.047 119.837 119.800 -0.017 0.000 2.135 204 Q HA -0.205 4.135 4.340 -0.001 0.000 0.204 204 Q C 2.362 178.358 176.000 -0.008 0.000 0.981 204 Q CA 1.415 57.212 55.803 -0.010 0.000 0.856 204 Q CB -0.038 28.699 28.738 -0.002 0.000 0.902 204 Q HN 0.479 nan 8.270 nan 0.000 0.425 205 L N -0.274 120.945 121.223 -0.007 0.000 2.072 205 L HA -0.175 4.164 4.340 -0.001 0.000 0.205 205 L C 2.121 178.985 176.870 -0.009 0.000 1.079 205 L CA 0.771 55.608 54.840 -0.006 0.000 0.752 205 L CB -0.194 41.862 42.059 -0.005 0.000 0.906 205 L HN 0.293 nan 8.230 nan 0.000 0.436 206 L N -0.609 120.604 121.223 -0.016 0.000 2.005 206 L HA -0.163 4.176 4.340 -0.001 0.000 0.207 206 L C 2.836 179.694 176.870 -0.020 0.000 1.072 206 L CA 1.152 55.980 54.840 -0.021 0.000 0.744 206 L CB -0.719 41.321 42.059 -0.032 0.000 0.895 206 L HN 0.210 nan 8.230 nan 0.000 0.433 207 A N -0.124 122.682 122.820 -0.023 0.000 2.032 207 A HA -0.228 4.091 4.320 -0.001 0.000 0.221 207 A C 2.386 179.966 177.584 -0.008 0.000 1.165 207 A CA 1.658 53.684 52.037 -0.018 0.000 0.645 207 A CB -0.470 18.520 19.000 -0.018 0.000 0.807 207 A HN 0.362 nan 8.150 nan 0.000 0.453 208 R N -1.189 119.308 120.500 -0.005 0.000 2.066 208 R HA 0.101 4.441 4.340 -0.001 0.000 0.224 208 R C 2.477 178.777 176.300 0.001 0.000 1.122 208 R CA 0.953 57.054 56.100 0.002 0.000 0.974 208 R CB -0.481 29.822 30.300 0.006 0.000 0.871 208 R HN 0.461 nan 8.270 nan 0.000 0.435 209 A N 1.413 124.231 122.820 -0.002 0.000 2.131 209 A HA -0.104 4.216 4.320 -0.001 0.000 0.220 209 A C 2.196 179.779 177.584 -0.003 0.000 1.158 209 A CA 1.584 53.620 52.037 -0.003 0.000 0.665 209 A CB -0.416 18.581 19.000 -0.005 0.000 0.795 209 A HN 0.395 nan 8.150 nan 0.000 0.460 210 A N -0.772 122.046 122.820 -0.004 0.000 2.066 210 A HA 0.080 4.400 4.320 -0.001 0.000 0.218 210 A C 0.827 178.411 177.584 -0.000 0.000 1.157 210 A CA 0.891 52.925 52.037 -0.004 0.000 0.670 210 A CB -0.428 18.567 19.000 -0.008 0.000 0.804 210 A HN 0.619 nan 8.150 nan 0.000 0.453 211 E N -2.278 117.923 120.200 0.002 0.000 2.210 211 E HA -0.249 4.101 4.350 -0.001 0.000 0.201 211 E C 0.932 177.536 176.600 0.007 0.000 1.339 211 E CA 0.317 56.720 56.400 0.005 0.000 0.699 211 E CB -1.916 27.787 29.700 0.005 0.000 1.126 211 E HN 1.389 nan 8.360 nan 0.000 0.355 212 G N -0.264 108.540 108.800 0.007 0.000 2.284 212 G HA2 -0.386 3.574 3.960 -0.001 0.000 0.247 212 G HA3 -0.386 3.574 3.960 -0.001 0.000 0.247 212 G C 0.321 175.224 174.900 0.005 0.000 1.012 212 G CA 0.342 45.447 45.100 0.009 0.000 0.618 212 G HN 0.683 nan 8.290 nan 0.000 0.521 213 S N 0.457 116.158 115.700 0.003 0.000 2.452 213 S HA 0.555 5.025 4.470 -0.001 0.000 0.284 213 S C 1.341 175.939 174.600 -0.004 0.000 1.171 213 S CA -0.176 58.024 58.200 0.001 0.000 1.064 213 S CB 1.040 64.242 63.200 0.003 0.000 0.967 213 S HN 0.664 nan 8.310 nan 0.000 0.484 214 L N 6.169 127.388 121.223 -0.007 0.000 2.141 214 L HA 0.139 4.479 4.340 -0.001 0.000 0.209 214 L C 2.371 179.237 176.870 -0.005 0.000 1.094 214 L CA 1.602 56.436 54.840 -0.010 0.000 0.763 214 L CB -0.931 41.120 42.059 -0.013 0.000 0.908 214 L HN 0.803 nan 8.230 nan 0.000 0.437 215 R N -0.588 119.913 120.500 0.001 0.000 2.062 215 R HA -0.153 4.186 4.340 -0.001 0.000 0.231 215 R C 1.838 178.141 176.300 0.004 0.000 1.136 215 R CA 1.647 57.751 56.100 0.008 0.000 0.948 215 R CB -0.249 30.058 30.300 0.012 0.000 0.845 215 R HN 0.269 nan 8.270 nan 0.000 0.430 216 D N 0.514 120.916 120.400 0.003 0.000 2.172 216 D HA -0.209 4.430 4.640 -0.001 0.000 0.196 216 D C 1.659 177.956 176.300 -0.004 0.000 0.999 216 D CA 1.667 55.668 54.000 0.002 0.000 0.856 216 D CB -0.258 40.543 40.800 0.002 0.000 0.934 216 D HN 0.430 nan 8.370 nan 0.000 0.453 217 A N 0.303 123.118 122.820 -0.009 0.000 1.845 217 A HA -0.134 4.185 4.320 -0.001 0.000 0.215 217 A C 2.419 179.989 177.584 -0.024 0.000 1.195 217 A CA 1.099 53.125 52.037 -0.019 0.000 0.616 217 A CB -0.846 18.138 19.000 -0.026 0.000 0.832 217 A HN 0.232 nan 8.150 nan 0.000 0.443 218 L N -0.571 120.640 121.223 -0.019 0.000 2.017 218 L HA -0.166 4.174 4.340 -0.001 0.000 0.208 218 L C 2.892 179.760 176.870 -0.003 0.000 1.073 218 L CA 1.454 56.284 54.840 -0.017 0.000 0.745 218 L CB -0.606 41.455 42.059 0.002 0.000 0.894 218 L HN 0.333 nan 8.230 nan 0.000 0.432 219 S N 0.146 115.849 115.700 0.005 0.000 2.380 219 S HA -0.211 4.259 4.470 -0.001 0.000 0.229 219 S C 1.975 176.576 174.600 0.001 0.000 1.043 219 S CA 1.441 59.645 58.200 0.008 0.000 1.038 219 S CB -0.353 62.853 63.200 0.009 0.000 0.872 219 S HN 0.278 nan 8.310 nan 0.000 0.456 220 L N 0.733 121.953 121.223 -0.005 0.000 2.027 220 L HA -0.130 4.209 4.340 -0.001 0.000 0.206 220 L C 2.685 179.547 176.870 -0.013 0.000 1.074 220 L CA 1.385 56.219 54.840 -0.009 0.000 0.745 220 L CB -1.117 40.935 42.059 -0.012 0.000 0.898 220 L HN 0.347 nan 8.230 nan 0.000 0.433 221 T N -1.298 113.243 114.554 -0.022 0.000 2.684 221 T HA -0.234 4.116 4.350 -0.001 0.000 0.267 221 T C 1.517 176.208 174.700 -0.015 0.000 1.036 221 T CA 1.511 63.594 62.100 -0.029 0.000 1.148 221 T CB -0.331 68.506 68.868 -0.052 0.000 0.863 221 T HN 0.288 nan 8.240 nan 0.000 0.436 222 D N 1.460 121.857 120.400 -0.005 0.000 2.116 222 D HA -0.140 4.500 4.640 -0.001 0.000 0.193 222 D C 2.355 178.659 176.300 0.006 0.000 0.998 222 D CA 1.525 55.529 54.000 0.007 0.000 0.836 222 D CB -0.258 40.553 40.800 0.018 0.000 0.951 222 D HN 0.709 nan 8.370 nan 0.000 0.449 223 Q N -0.349 119.452 119.800 0.003 0.000 2.432 223 Q HA 0.209 4.548 4.340 -0.001 0.000 0.205 223 Q C 1.813 177.813 176.000 0.000 0.000 0.945 223 Q CA 0.963 56.768 55.803 0.003 0.000 0.924 223 Q CB 0.153 28.892 28.738 0.002 0.000 1.016 223 Q HN 0.102 nan 8.270 nan 0.000 0.503 224 A N 1.855 124.674 122.820 -0.003 0.000 1.855 224 A HA -0.091 4.228 4.320 -0.001 0.000 0.215 224 A C 2.112 179.697 177.584 0.001 0.000 1.191 224 A CA 1.289 53.324 52.037 -0.003 0.000 0.613 224 A CB -0.707 18.288 19.000 -0.008 0.000 0.829 224 A HN 0.436 nan 8.150 nan 0.000 0.442 225 I N -0.066 120.505 120.570 0.003 0.000 2.236 225 I HA -0.359 3.811 4.170 -0.001 0.000 0.249 225 I C 2.854 178.977 176.117 0.010 0.000 1.102 225 I CA 1.334 62.640 61.300 0.009 0.000 1.365 225 I CB -0.360 37.648 38.000 0.013 0.000 1.051 225 I HN 0.395 nan 8.210 nan 0.000 0.420 226 A N -0.775 122.049 122.820 0.008 0.000 1.930 226 A HA -0.125 4.195 4.320 -0.001 0.000 0.215 226 A C 2.464 180.051 177.584 0.005 0.000 1.176 226 A CA 1.654 53.696 52.037 0.008 0.000 0.632 226 A CB -0.476 18.529 19.000 0.008 0.000 0.819 226 A HN 0.317 nan 8.150 nan 0.000 0.445 227 S N -0.852 114.849 115.700 0.002 0.000 2.406 227 S HA 0.037 4.507 4.470 -0.001 0.000 0.228 227 S C 1.728 176.327 174.600 -0.001 0.000 1.020 227 S CA 1.064 59.263 58.200 -0.001 0.000 0.965 227 S CB -0.216 62.982 63.200 -0.003 0.000 0.798 227 S HN 0.690 nan 8.310 nan 0.000 0.488 228 G N 0.034 108.835 108.800 0.002 0.000 3.141 228 G HA2 0.132 4.092 3.960 -0.001 0.000 0.218 228 G HA3 0.132 4.092 3.960 -0.001 0.000 0.218 228 G C -0.308 174.595 174.900 0.004 0.000 1.170 228 G CA 0.042 45.144 45.100 0.002 0.000 0.769 228 G HN 0.405 nan 8.290 nan 0.000 0.546 229 D N -0.477 119.927 120.400 0.005 0.000 3.357 229 D HA -0.097 4.543 4.640 -0.001 0.000 0.238 229 D C 1.529 177.835 176.300 0.010 0.000 1.126 229 D CA 1.507 55.511 54.000 0.007 0.000 0.984 229 D CB -1.253 39.550 40.800 0.004 0.000 0.925 229 D HN 0.960 nan 8.370 nan 0.000 0.414 230 G N 2.015 110.824 108.800 0.014 0.000 2.220 230 G HA2 -0.347 3.613 3.960 -0.001 0.000 0.269 230 G HA3 -0.347 3.613 3.960 -0.001 0.000 0.269 230 G C 0.308 175.222 174.900 0.023 0.000 0.977 230 G CA 0.926 46.038 45.100 0.020 0.000 0.634 230 G HN 0.622 nan 8.290 nan 0.000 0.539 231 Q N -0.616 119.195 119.800 0.019 0.000 2.353 231 Q HA 0.569 4.909 4.340 -0.001 0.000 0.268 231 Q C -0.605 175.410 176.000 0.025 0.000 1.045 231 Q CA -0.800 55.016 55.803 0.022 0.000 0.811 231 Q CB 2.833 31.578 28.738 0.012 0.000 1.305 231 Q HN 0.118 nan 8.270 nan 0.000 0.447 232 V N 2.928 122.868 119.914 0.043 0.000 2.284 232 V HA 0.175 4.294 4.120 -0.001 0.000 0.260 232 V C -0.082 176.039 176.094 0.046 0.000 1.084 232 V CA -0.207 62.117 62.300 0.040 0.000 0.894 232 V CB 0.232 32.080 31.823 0.041 0.000 1.119 232 V HN 0.758 nan 8.190 nan 0.000 0.484 233 S N 2.117 117.831 115.700 0.022 0.000 2.593 233 S HA 0.369 4.839 4.470 -0.001 0.000 0.297 233 S C 1.064 175.669 174.600 0.008 0.000 1.112 233 S CA -0.381 57.827 58.200 0.014 0.000 1.043 233 S CB 1.730 64.932 63.200 0.003 0.000 1.054 233 S HN 0.489 nan 8.310 nan 0.000 0.516 234 T N 1.982 116.539 114.554 0.006 0.000 2.759 234 T HA -0.128 4.222 4.350 -0.001 0.000 0.269 234 T C 1.852 176.549 174.700 -0.004 0.000 1.042 234 T CA 1.441 63.542 62.100 0.002 0.000 1.140 234 T CB -0.322 68.546 68.868 0.000 0.000 0.864 234 T HN 0.582 nan 8.240 nan 0.000 0.455 235 Q N 0.988 120.785 119.800 -0.006 0.000 2.061 235 Q HA -0.044 4.296 4.340 -0.001 0.000 0.204 235 Q C 2.821 178.814 176.000 -0.011 0.000 0.984 235 Q CA 1.691 57.487 55.803 -0.010 0.000 0.846 235 Q CB -0.924 27.807 28.738 -0.011 0.000 0.902 235 Q HN 0.586 nan 8.270 nan 0.000 0.421 236 A N 0.741 123.557 122.820 -0.007 0.000 1.859 236 A HA -0.192 4.128 4.320 -0.001 0.000 0.217 236 A C 2.506 180.085 177.584 -0.008 0.000 1.198 236 A CA 2.184 54.217 52.037 -0.007 0.000 0.629 236 A CB -1.017 17.981 19.000 -0.002 0.000 0.830 236 A HN 0.213 nan 8.150 nan 0.000 0.446 237 V N 0.900 120.810 119.914 -0.006 0.000 2.255 237 V HA -0.274 3.846 4.120 -0.001 0.000 0.247 237 V C 2.950 179.037 176.094 -0.011 0.000 1.051 237 V CA 2.600 64.895 62.300 -0.008 0.000 1.018 237 V CB -1.118 30.701 31.823 -0.006 0.000 0.641 237 V HN 0.776 nan 8.190 nan 0.000 0.445 238 S N 0.851 116.544 115.700 -0.012 0.000 2.402 238 S HA -0.099 4.371 4.470 -0.001 0.000 0.229 238 S C 2.123 176.710 174.600 -0.022 0.000 1.021 238 S CA 1.095 59.285 58.200 -0.016 0.000 0.974 238 S CB -0.629 62.561 63.200 -0.016 0.000 0.800 238 S HN 0.602 nan 8.310 nan 0.000 0.484 239 A N 3.504 126.311 122.820 -0.022 0.000 1.859 239 A HA -0.202 4.118 4.320 -0.001 0.000 0.218 239 A C 2.345 179.915 177.584 -0.024 0.000 1.209 239 A CA 2.292 54.313 52.037 -0.026 0.000 0.639 239 A CB -1.075 17.912 19.000 -0.022 0.000 0.835 239 A HN 0.691 nan 8.150 nan 0.000 0.450 240 M N -0.959 118.630 119.600 -0.018 0.000 2.279 240 M HA -0.046 4.434 4.480 -0.001 0.000 0.264 240 M C 1.451 177.741 176.300 -0.016 0.000 1.062 240 M CA 1.797 57.087 55.300 -0.016 0.000 1.099 240 M CB -0.256 32.337 32.600 -0.011 0.000 1.394 240 M HN 0.359 nan 8.290 nan 0.000 0.426 241 L N -0.222 120.991 121.223 -0.016 0.000 2.477 241 L HA 0.237 4.576 4.340 -0.001 0.000 0.220 241 L C 1.645 178.504 176.870 -0.019 0.000 1.106 241 L CA 0.641 55.472 54.840 -0.015 0.000 0.851 241 L CB -0.259 41.793 42.059 -0.012 0.000 0.994 241 L HN 0.723 nan 8.230 nan 0.000 0.462 242 G N 0.183 108.968 108.800 -0.025 0.000 2.179 242 G HA2 -0.265 3.694 3.960 -0.001 0.000 0.260 242 G HA3 -0.265 3.694 3.960 -0.001 0.000 0.260 242 G C 0.415 175.295 174.900 -0.034 0.000 0.977 242 G CA 0.421 45.500 45.100 -0.034 0.000 0.641 242 G HN 0.286 nan 8.290 nan 0.000 0.533 243 T N 1.704 116.244 114.554 -0.024 0.000 2.932 243 T HA 0.480 4.830 4.350 -0.001 0.000 0.312 243 T C 0.462 175.144 174.700 -0.030 0.000 1.071 243 T CA 0.565 62.653 62.100 -0.021 0.000 1.128 243 T CB 0.953 69.813 68.868 -0.013 0.000 0.984 243 T HN 0.663 nan 8.240 nan 0.000 0.549 244 L N 1.266 122.471 121.223 -0.031 0.000 2.331 244 L HA 0.603 4.943 4.340 -0.001 0.000 0.275 244 L C 0.014 176.871 176.870 -0.021 0.000 1.022 244 L CA -1.170 53.650 54.840 -0.034 0.000 0.812 244 L CB 0.139 42.169 42.059 -0.048 0.000 1.257 244 L HN 0.305 nan 8.230 nan 0.000 0.435 245 D N 0.950 121.338 120.400 -0.020 0.000 2.401 245 D HA 0.040 4.680 4.640 -0.001 0.000 0.254 245 D C 0.751 177.045 176.300 -0.009 0.000 1.192 245 D CA 0.270 54.262 54.000 -0.013 0.000 0.885 245 D CB 0.784 41.577 40.800 -0.012 0.000 1.147 245 D HN 0.545 nan 8.370 nan 0.000 0.478 246 D N 1.946 122.343 120.400 -0.004 0.000 2.322 246 D HA -0.207 4.433 4.640 -0.001 0.000 0.210 246 D C 1.342 177.643 176.300 0.001 0.000 0.983 246 D CA 0.820 54.820 54.000 0.001 0.000 0.902 246 D CB 0.151 40.954 40.800 0.005 0.000 0.905 246 D HN 0.592 nan 8.370 nan 0.000 0.483 247 D N -0.064 120.335 120.400 -0.002 0.000 2.084 247 D HA -0.203 4.437 4.640 -0.001 0.000 0.194 247 D C 1.978 178.277 176.300 -0.001 0.000 0.990 247 D CA 1.439 55.439 54.000 -0.001 0.000 0.826 247 D CB -0.043 40.755 40.800 -0.003 0.000 0.971 247 D HN 0.151 nan 8.370 nan 0.000 0.453 248 Q N -0.210 119.587 119.800 -0.004 0.000 2.234 248 Q HA -0.149 4.191 4.340 -0.001 0.000 0.206 248 Q C 1.809 177.811 176.000 0.002 0.000 0.980 248 Q CA 1.720 57.521 55.803 -0.003 0.000 0.869 248 Q CB -0.226 28.506 28.738 -0.011 0.000 0.912 248 Q HN 0.334 nan 8.270 nan 0.000 0.436 249 A N 0.590 123.412 122.820 0.003 0.000 1.854 249 A HA -0.106 4.214 4.320 -0.001 0.000 0.214 249 A C 1.986 179.578 177.584 0.012 0.000 1.192 249 A CA 1.222 53.266 52.037 0.012 0.000 0.611 249 A CB -0.874 18.135 19.000 0.014 0.000 0.832 249 A HN 0.488 nan 8.150 nan 0.000 0.442 250 L N 0.333 121.562 121.223 0.010 0.000 2.012 250 L HA -0.128 4.212 4.340 -0.001 0.000 0.210 250 L C 2.433 179.302 176.870 -0.002 0.000 1.073 250 L CA 2.659 57.503 54.840 0.007 0.000 0.748 250 L CB -0.951 41.112 42.059 0.007 0.000 0.891 250 L HN 0.299 nan 8.230 nan 0.000 0.431 251 S N -0.548 115.151 115.700 -0.001 0.000 2.402 251 S HA -0.167 4.302 4.470 -0.001 0.000 0.233 251 S C 1.767 176.361 174.600 -0.010 0.000 1.030 251 S CA 1.503 59.700 58.200 -0.005 0.000 1.003 251 S CB -0.471 62.728 63.200 -0.002 0.000 0.813 251 S HN 0.408 nan 8.310 nan 0.000 0.477 252 L N 1.308 122.528 121.223 -0.005 0.000 2.209 252 L HA 0.118 4.458 4.340 -0.001 0.000 0.207 252 L C 2.062 178.913 176.870 -0.033 0.000 1.094 252 L CA 1.124 55.960 54.840 -0.008 0.000 0.790 252 L CB -0.788 41.282 42.059 0.017 0.000 0.932 252 L HN 0.110 nan 8.230 nan 0.000 0.447 253 V N -0.099 119.796 119.914 -0.032 0.000 2.237 253 V HA -0.300 3.819 4.120 -0.001 0.000 0.245 253 V C 2.414 178.448 176.094 -0.100 0.000 1.046 253 V CA 1.978 64.238 62.300 -0.066 0.000 1.007 253 V CB -0.702 31.100 31.823 -0.035 0.000 0.638 253 V HN 0.444 nan 8.190 nan 0.000 0.445 254 E N 0.647 120.811 120.200 -0.059 0.000 2.086 254 E HA -0.325 4.024 4.350 -0.001 0.000 0.205 254 E C 2.292 178.852 176.600 -0.066 0.000 1.027 254 E CA 1.633 58.002 56.400 -0.052 0.000 0.830 254 E CB -0.483 29.202 29.700 -0.025 0.000 0.751 254 E HN 0.595 nan 8.360 nan 0.000 0.456 255 A N 1.310 124.095 122.820 -0.059 0.000 1.986 255 A HA -0.233 4.086 4.320 -0.001 0.000 0.220 255 A C 2.115 179.635 177.584 -0.106 0.000 1.171 255 A CA 1.813 53.813 52.037 -0.062 0.000 0.640 255 A CB -0.553 18.421 19.000 -0.043 0.000 0.811 255 A HN 0.334 nan 8.150 nan 0.000 0.451 256 M N 0.282 119.796 119.600 -0.144 0.000 2.160 256 M HA -0.094 4.385 4.480 -0.001 0.000 0.264 256 M C 2.108 178.224 176.300 -0.306 0.000 1.073 256 M CA 2.227 57.395 55.300 -0.220 0.000 1.142 256 M CB -0.271 32.184 32.600 -0.241 0.000 1.358 256 M HN 0.395 nan 8.290 nan 0.000 0.422 257 V N -1.240 118.499 119.914 -0.292 0.000 2.594 257 V HA -0.166 3.954 4.120 -0.001 0.000 0.253 257 V C 1.347 177.485 176.094 0.074 0.000 1.069 257 V CA 2.009 64.241 62.300 -0.114 0.000 1.082 257 V CB -1.213 30.564 31.823 -0.077 0.000 0.680 257 V HN 0.575 nan 8.190 nan 0.000 0.469 258 E N 0.575 120.755 120.200 -0.034 0.000 2.502 258 E HA 0.395 4.745 4.350 -0.001 0.000 0.194 258 E C 1.606 178.172 176.600 -0.056 0.000 1.062 258 E CA 0.530 56.932 56.400 0.003 0.000 0.867 258 E CB 0.012 29.706 29.700 -0.009 0.000 0.888 258 E HN 0.844 nan 8.360 nan 0.000 0.510 259 A N 2.010 124.678 122.820 -0.254 0.000 3.420 259 A HA -0.288 4.031 4.320 -0.001 0.000 0.269 259 A C 0.654 178.137 177.584 -0.168 0.000 1.122 259 A CA 1.269 53.072 52.037 -0.389 0.000 1.023 259 A CB -2.299 16.549 19.000 -0.254 0.000 1.099 259 A HN 0.504 nan 8.150 nan 0.000 0.860 260 N N 0.954 119.593 118.700 -0.102 0.000 2.399 260 N HA 0.440 5.179 4.740 -0.001 0.000 0.259 260 N C 1.079 176.555 175.510 -0.058 0.000 1.160 260 N CA 0.941 53.956 53.050 -0.058 0.000 0.946 260 N CB 0.514 38.981 38.487 -0.032 0.000 1.156 260 N HN 0.514 nan 8.380 nan 0.000 0.489 261 G N 2.851 111.622 108.800 -0.049 0.000 2.484 261 G HA2 -0.263 3.697 3.960 -0.001 0.000 0.215 261 G HA3 -0.263 3.697 3.960 -0.001 0.000 0.215 261 G C 0.985 175.871 174.900 -0.025 0.000 1.219 261 G CA 0.500 45.577 45.100 -0.038 0.000 0.791 261 G HN 0.708 nan 8.290 nan 0.000 0.550 262 E N -0.248 119.941 120.200 -0.018 0.000 2.196 262 E HA -0.341 4.009 4.350 -0.001 0.000 0.222 262 E C 2.501 179.096 176.600 -0.009 0.000 1.072 262 E CA 1.743 58.136 56.400 -0.011 0.000 0.902 262 E CB -0.179 29.516 29.700 -0.008 0.000 0.780 262 E HN 0.409 nan 8.360 nan 0.000 0.467 263 R N 0.387 120.879 120.500 -0.012 0.000 2.090 263 R HA -0.105 4.235 4.340 -0.001 0.000 0.228 263 R C 2.336 178.632 176.300 -0.007 0.000 1.110 263 R CA 0.961 57.055 56.100 -0.009 0.000 0.973 263 R CB 0.004 30.296 30.300 -0.013 0.000 0.869 263 R HN 0.017 nan 8.270 nan 0.000 0.440 264 V N 0.995 120.899 119.914 -0.017 0.000 2.233 264 V HA -0.317 3.802 4.120 -0.001 0.000 0.247 264 V C 2.462 178.559 176.094 0.005 0.000 1.050 264 V CA 1.711 64.004 62.300 -0.013 0.000 1.010 264 V CB -0.421 31.385 31.823 -0.028 0.000 0.637 264 V HN 0.338 nan 8.190 nan 0.000 0.444 265 M N -0.086 119.514 119.600 -0.000 0.000 2.067 265 M HA -0.121 4.359 4.480 -0.001 0.000 0.260 265 M C 2.415 178.728 176.300 0.021 0.000 1.069 265 M CA 2.208 57.511 55.300 0.006 0.000 1.117 265 M CB -1.794 30.803 32.600 -0.004 0.000 1.334 265 M HN 0.392 nan 8.290 nan 0.000 0.407 266 A N 0.268 123.097 122.820 0.016 0.000 1.869 266 A HA -0.226 4.093 4.320 -0.001 0.000 0.218 266 A C 2.336 179.941 177.584 0.036 0.000 1.203 266 A CA 1.987 54.038 52.037 0.022 0.000 0.638 266 A CB -1.308 17.700 19.000 0.013 0.000 0.831 266 A HN 0.499 nan 8.150 nan 0.000 0.450 267 L N -0.738 120.504 121.223 0.032 0.000 2.263 267 L HA -0.209 4.131 4.340 -0.001 0.000 0.216 267 L C 2.371 179.287 176.870 0.078 0.000 1.111 267 L CA 1.031 55.896 54.840 0.041 0.000 0.773 267 L CB -0.320 41.756 42.059 0.028 0.000 0.906 267 L HN 0.472 nan 8.230 nan 0.000 0.439 268 I N -1.101 119.530 120.570 0.100 0.000 2.339 268 I HA -0.216 3.953 4.170 -0.001 0.000 0.245 268 I C 2.218 178.471 176.117 0.227 0.000 1.096 268 I CA 0.605 62.019 61.300 0.191 0.000 1.408 268 I CB -0.294 37.781 38.000 0.125 0.000 1.092 268 I HN 0.280 nan 8.210 nan 0.000 0.423 269 N N 1.290 120.068 118.700 0.130 0.000 2.094 269 N HA -0.284 4.455 4.740 -0.001 0.000 0.191 269 N C 1.752 177.324 175.510 0.104 0.000 1.023 269 N CA 1.734 54.852 53.050 0.114 0.000 0.857 269 N CB -0.109 38.416 38.487 0.063 0.000 1.013 269 N HN 0.406 nan 8.380 nan 0.000 0.426 270 E N -0.361 119.884 120.200 0.076 0.000 2.107 270 E HA -0.073 4.276 4.350 -0.001 0.000 0.191 270 E C 1.755 178.372 176.600 0.029 0.000 0.982 270 E CA 0.920 57.346 56.400 0.044 0.000 0.809 270 E CB -0.171 29.546 29.700 0.027 0.000 0.756 270 E HN 0.361 nan 8.360 nan 0.000 0.459 271 A N 1.171 124.020 122.820 0.050 0.000 1.978 271 A HA -0.140 4.179 4.320 -0.001 0.000 0.220 271 A C 2.336 179.854 177.584 -0.110 0.000 1.170 271 A CA 1.869 53.884 52.037 -0.037 0.000 0.636 271 A CB -0.645 18.364 19.000 0.015 0.000 0.810 271 A HN 0.438 nan 8.150 nan 0.000 0.448 272 A N -0.533 122.334 122.820 0.078 0.000 1.898 272 A HA 0.351 4.670 4.320 -0.001 0.000 0.214 272 A C 2.441 180.061 177.584 0.061 0.000 1.183 272 A CA 1.499 53.632 52.037 0.160 0.000 0.622 272 A CB -0.856 18.360 19.000 0.359 0.000 0.824 272 A HN 1.002 nan 8.150 nan 0.000 0.444 273 A N 0.064 122.909 122.820 0.041 0.000 2.015 273 A HA -0.119 4.201 4.320 -0.001 0.000 0.219 273 A C 2.151 179.724 177.584 -0.019 0.000 1.163 273 A CA 1.356 53.403 52.037 0.016 0.000 0.646 273 A CB -0.398 18.612 19.000 0.017 0.000 0.806 273 A HN 0.538 nan 8.150 nan 0.000 0.448 274 R N -1.597 118.875 120.500 -0.047 0.000 2.193 274 R HA 0.127 4.466 4.340 -0.001 0.000 0.213 274 R C 1.564 177.799 176.300 -0.108 0.000 1.055 274 R CA 0.627 56.682 56.100 -0.074 0.000 0.995 274 R CB -0.201 30.046 30.300 -0.088 0.000 0.893 274 R HN 0.684 nan 8.270 nan 0.000 0.459 275 G N 1.966 110.682 108.800 -0.139 0.000 2.179 275 G HA2 -0.320 3.640 3.960 -0.001 0.000 0.260 275 G HA3 -0.320 3.640 3.960 -0.001 0.000 0.260 275 G C 0.477 175.187 174.900 -0.316 0.000 0.977 275 G CA 0.272 45.269 45.100 -0.171 0.000 0.641 275 G HN 0.506 nan 8.290 nan 0.000 0.533 276 I N -0.524 119.832 120.570 -0.356 0.000 3.173 276 I HA 0.207 4.376 4.170 -0.001 0.000 0.323 276 I C 0.342 176.099 176.117 -0.600 0.000 1.194 276 I CA 0.539 61.596 61.300 -0.405 0.000 1.464 276 I CB 0.415 38.191 38.000 -0.373 0.000 1.295 276 I HN 0.319 nan 8.210 nan 0.000 0.556 277 E N 4.960 124.927 120.200 -0.388 0.000 2.259 277 E HA 0.080 4.429 4.350 -0.001 0.000 0.281 277 E C -0.219 176.218 176.600 -0.271 0.000 1.037 277 E CA -0.044 56.160 56.400 -0.327 0.000 0.854 277 E CB 0.601 30.215 29.700 -0.143 0.000 1.051 277 E HN 0.701 nan 8.360 nan 0.000 0.409 278 W N 2.290 123.582 121.300 -0.012 0.000 2.335 278 W HA -0.201 4.459 4.660 -0.001 0.000 0.311 278 W C 2.211 178.721 176.519 -0.015 0.000 1.213 278 W CA 0.970 58.307 57.345 -0.013 0.000 1.274 278 W CB 0.067 29.519 29.460 -0.013 0.000 1.148 278 W HN 0.675 nan 8.180 nan 0.000 0.498 279 E N 0.561 120.866 120.200 0.175 0.000 2.110 279 E HA -0.202 4.148 4.350 -0.001 0.000 0.193 279 E C 2.269 178.904 176.600 0.058 0.000 0.988 279 E CA 1.345 57.803 56.400 0.097 0.000 0.804 279 E CB -0.287 29.444 29.700 0.051 0.000 0.745 279 E HN 0.154 nan 8.360 nan 0.000 0.458 280 A N 1.207 124.042 122.820 0.025 0.000 1.884 280 A HA -0.242 4.077 4.320 -0.001 0.000 0.219 280 A C 2.156 179.746 177.584 0.010 0.000 1.197 280 A CA 1.747 53.781 52.037 -0.005 0.000 0.637 280 A CB -0.962 18.008 19.000 -0.050 0.000 0.827 280 A HN 0.413 nan 8.150 nan 0.000 0.450 281 L N -0.230 121.005 121.223 0.020 0.000 1.970 281 L HA -0.146 4.193 4.340 -0.001 0.000 0.212 281 L C 2.367 179.278 176.870 0.068 0.000 1.071 281 L CA 1.938 56.804 54.840 0.043 0.000 0.751 281 L CB -0.657 41.454 42.059 0.086 0.000 0.889 281 L HN 0.439 nan 8.230 nan 0.000 0.432 282 L N -1.347 119.932 121.223 0.094 0.000 2.137 282 L HA -0.298 4.042 4.340 -0.001 0.000 0.213 282 L C 2.353 179.250 176.870 0.044 0.000 1.085 282 L CA 1.393 56.274 54.840 0.068 0.000 0.760 282 L CB -0.571 41.525 42.059 0.060 0.000 0.893 282 L HN 0.245 nan 8.230 nan 0.000 0.434 283 V N -0.798 119.140 119.914 0.039 0.000 2.302 283 V HA -0.206 3.914 4.120 -0.001 0.000 0.243 283 V C 2.342 178.464 176.094 0.046 0.000 1.036 283 V CA 1.469 63.788 62.300 0.032 0.000 1.020 283 V CB -0.418 31.418 31.823 0.021 0.000 0.657 283 V HN 0.406 nan 8.190 nan 0.000 0.453 284 E N -0.249 119.975 120.200 0.039 0.000 2.171 284 E HA -0.262 4.087 4.350 -0.001 0.000 0.197 284 E C 2.178 178.816 176.600 0.062 0.000 0.997 284 E CA 1.538 57.964 56.400 0.043 0.000 0.810 284 E CB -0.207 29.509 29.700 0.026 0.000 0.738 284 E HN 0.554 nan 8.360 nan 0.000 0.467 285 M N -0.030 119.608 119.600 0.065 0.000 2.132 285 M HA -0.138 4.342 4.480 -0.001 0.000 0.263 285 M C 2.313 178.687 176.300 0.125 0.000 1.065 285 M CA 1.142 56.488 55.300 0.077 0.000 1.122 285 M CB -0.217 32.421 32.600 0.063 0.000 1.365 285 M HN 0.087 nan 8.290 nan 0.000 0.411 286 L N -0.610 120.696 121.223 0.138 0.000 2.093 286 L HA -0.042 4.297 4.340 -0.001 0.000 0.208 286 L C 2.708 179.742 176.870 0.273 0.000 1.085 286 L CA 1.286 56.282 54.840 0.260 0.000 0.755 286 L CB -1.313 40.849 42.059 0.172 0.000 0.904 286 L HN 0.352 nan 8.230 nan 0.000 0.435 287 G N 0.035 108.935 108.800 0.167 0.000 2.475 287 G HA2 -0.213 3.747 3.960 -0.001 0.000 0.220 287 G HA3 -0.213 3.747 3.960 -0.001 0.000 0.220 287 G C 1.618 176.622 174.900 0.173 0.000 1.125 287 G CA 0.835 46.023 45.100 0.146 0.000 0.755 287 G HN 0.242 nan 8.290 nan 0.000 0.565 288 L N -0.610 120.696 121.223 0.138 0.000 2.145 288 L HA 0.203 4.543 4.340 -0.001 0.000 0.201 288 L C 2.794 179.733 176.870 0.115 0.000 1.075 288 L CA 0.171 55.075 54.840 0.105 0.000 0.773 288 L CB -0.414 41.686 42.059 0.069 0.000 0.936 288 L HN 0.130 nan 8.230 nan 0.000 0.451 289 L N -0.227 121.088 121.223 0.153 0.000 2.263 289 L HA -0.301 4.039 4.340 -0.001 0.000 0.216 289 L C 2.672 179.613 176.870 0.117 0.000 1.111 289 L CA 1.182 56.121 54.840 0.165 0.000 0.773 289 L CB -0.589 41.632 42.059 0.270 0.000 0.906 289 L HN 0.470 nan 8.230 nan 0.000 0.439 290 H N 0.166 119.247 119.070 0.018 0.000 2.306 290 H HA -0.149 4.407 4.556 -0.001 0.000 0.307 290 H C 2.353 177.656 175.328 -0.043 0.000 1.061 290 H CA 1.409 57.409 56.048 -0.079 0.000 1.359 290 H CB 0.069 29.794 29.762 -0.063 0.000 1.407 290 H HN 0.132 nan 8.280 nan 0.000 0.517 291 R N 0.447 120.820 120.500 -0.212 0.000 2.139 291 R HA -0.101 4.239 4.340 -0.001 0.000 0.243 291 R C 2.637 178.826 176.300 -0.185 0.000 1.145 291 R CA 1.522 57.460 56.100 -0.271 0.000 0.976 291 R CB -0.195 30.080 30.300 -0.042 0.000 0.866 291 R HN 0.415 nan 8.270 nan 0.000 0.449 292 I N -0.089 120.425 120.570 -0.093 0.000 2.133 292 I HA -0.237 3.932 4.170 -0.001 0.000 0.238 292 I C 2.402 178.472 176.117 -0.077 0.000 1.074 292 I CA 1.286 62.555 61.300 -0.052 0.000 1.342 292 I CB -0.492 37.511 38.000 0.005 0.000 1.053 292 I HN 0.303 nan 8.210 nan 0.000 0.404 293 A N 0.157 122.923 122.820 -0.089 0.000 1.986 293 A HA -0.295 4.025 4.320 -0.001 0.000 0.220 293 A C 2.238 179.740 177.584 -0.135 0.000 1.171 293 A CA 2.011 53.991 52.037 -0.095 0.000 0.640 293 A CB -0.607 18.331 19.000 -0.104 0.000 0.811 293 A HN 0.425 nan 8.150 nan 0.000 0.451 294 M N -0.631 118.831 119.600 -0.230 0.000 2.062 294 M HA -0.090 4.390 4.480 -0.001 0.000 0.259 294 M C 1.983 178.205 176.300 -0.130 0.000 1.076 294 M CA 1.965 57.127 55.300 -0.231 0.000 1.122 294 M CB -0.447 31.921 32.600 -0.388 0.000 1.312 294 M HN 0.118 nan 8.290 nan 0.000 0.412 295 V N 0.942 120.788 119.914 -0.112 0.000 2.380 295 V HA -0.365 3.755 4.120 -0.001 0.000 0.251 295 V C 2.255 178.321 176.094 -0.047 0.000 1.063 295 V CA 2.125 64.385 62.300 -0.066 0.000 1.055 295 V CB -1.157 30.636 31.823 -0.049 0.000 0.657 295 V HN 0.592 nan 8.190 nan 0.000 0.455 296 Q N -0.637 119.136 119.800 -0.046 0.000 1.943 296 Q HA -0.272 4.068 4.340 -0.001 0.000 0.213 296 Q C 2.322 178.302 176.000 -0.033 0.000 1.017 296 Q CA 2.194 57.977 55.803 -0.033 0.000 0.874 296 Q CB -0.630 28.089 28.738 -0.031 0.000 0.960 296 Q HN 0.489 nan 8.270 nan 0.000 0.417 297 L N 0.393 121.591 121.223 -0.042 0.000 1.950 297 L HA -0.150 4.189 4.340 -0.001 0.000 0.233 297 L C 1.052 177.904 176.870 -0.031 0.000 1.090 297 L CA 1.755 56.573 54.840 -0.037 0.000 0.809 297 L CB -0.717 41.315 42.059 -0.045 0.000 0.905 297 L HN 0.236 nan 8.230 nan 0.000 0.439 298 S N -0.712 114.967 115.700 -0.035 0.000 2.429 298 S HA 0.316 4.786 4.470 -0.001 0.000 0.302 298 S C -1.591 172.992 174.600 -0.028 0.000 1.115 298 S CA -1.524 56.660 58.200 -0.027 0.000 1.095 298 S CB 1.553 64.739 63.200 -0.024 0.000 0.987 298 S HN 0.065 nan 8.310 nan 0.000 0.474 299 P HA -0.055 nan 4.420 nan 0.000 0.214 299 P C 1.283 178.573 177.300 -0.018 0.000 1.163 299 P CA 1.505 64.594 63.100 -0.019 0.000 0.883 299 P CB 0.012 31.704 31.700 -0.013 0.000 0.788 300 A N -0.181 122.630 122.820 -0.015 0.000 2.178 300 A HA -0.060 4.260 4.320 -0.001 0.000 0.218 300 A C 2.158 179.734 177.584 -0.014 0.000 1.157 300 A CA 1.536 53.566 52.037 -0.012 0.000 0.689 300 A CB -1.535 17.460 19.000 -0.008 0.000 0.787 300 A HN 0.198 nan 8.150 nan 0.000 0.465 301 A N -0.711 122.095 122.820 -0.022 0.000 2.178 301 A HA 0.122 4.442 4.320 -0.001 0.000 0.218 301 A C 1.086 178.652 177.584 -0.030 0.000 1.157 301 A CA 0.551 52.572 52.037 -0.028 0.000 0.689 301 A CB -0.608 18.366 19.000 -0.043 0.000 0.787 301 A HN 0.653 nan 8.150 nan 0.000 0.465 302 L N 0.630 121.837 121.223 -0.026 0.000 2.410 302 L HA 0.467 4.806 4.340 -0.001 0.000 0.273 302 L C 1.037 177.903 176.870 -0.008 0.000 1.152 302 L CA -0.216 54.611 54.840 -0.021 0.000 0.855 302 L CB 0.449 42.497 42.059 -0.018 0.000 1.129 302 L HN 0.270 nan 8.230 nan 0.000 0.463 303 G N 2.686 111.485 108.800 -0.001 0.000 2.771 303 G HA2 -0.166 3.794 3.960 -0.001 0.000 0.242 303 G HA3 -0.166 3.794 3.960 -0.001 0.000 0.242 303 G C 0.583 175.487 174.900 0.007 0.000 1.233 303 G CA -0.123 44.982 45.100 0.008 0.000 0.858 303 G HN 0.847 nan 8.290 nan 0.000 0.591 304 N N -0.132 118.574 118.700 0.009 0.000 2.373 304 N HA -0.089 4.650 4.740 -0.001 0.000 0.181 304 N C 1.677 177.192 175.510 0.008 0.000 1.082 304 N CA 1.034 54.089 53.050 0.008 0.000 0.885 304 N CB 0.070 38.562 38.487 0.009 0.000 0.977 304 N HN 0.657 nan 8.380 nan 0.000 0.462 305 D N 0.250 120.656 120.400 0.010 0.000 2.183 305 D HA -0.139 4.500 4.640 -0.001 0.000 0.203 305 D C 1.075 177.380 176.300 0.009 0.000 0.969 305 D CA 0.629 54.635 54.000 0.009 0.000 0.842 305 D CB -0.406 40.400 40.800 0.011 0.000 0.957 305 D HN 0.389 nan 8.370 nan 0.000 0.484 306 M N -1.026 118.580 119.600 0.009 0.000 3.494 306 M HA 0.712 5.192 4.480 -0.001 0.000 0.213 306 M C 0.882 177.185 176.300 0.006 0.000 1.255 306 M CA -0.619 54.686 55.300 0.008 0.000 1.360 306 M CB 1.312 33.918 32.600 0.011 0.000 1.138 306 M HN -0.102 nan 8.290 nan 0.000 0.615 307 A N 1.643 124.466 122.820 0.005 0.000 1.873 307 A HA 0.119 4.439 4.320 -0.001 0.000 0.215 307 A C 2.244 179.829 177.584 0.003 0.000 1.186 307 A CA 1.774 53.813 52.037 0.003 0.000 0.616 307 A CB -0.556 18.445 19.000 0.003 0.000 0.823 307 A HN 0.824 nan 8.150 nan 0.000 0.442 308 A N -1.385 121.437 122.820 0.003 0.000 2.225 308 A HA 0.166 4.485 4.320 -0.001 0.000 0.215 308 A C 1.699 179.285 177.584 0.002 0.000 1.164 308 A CA 1.322 53.360 52.037 0.002 0.000 0.710 308 A CB -0.406 18.595 19.000 0.001 0.000 0.780 308 A HN 0.511 nan 8.150 nan 0.000 0.473 309 I N -2.349 118.223 120.570 0.003 0.000 4.526 309 I HA 0.012 4.182 4.170 -0.001 0.000 0.330 309 I C 1.962 178.081 176.117 0.004 0.000 1.323 309 I CA 0.432 61.735 61.300 0.004 0.000 1.218 309 I CB 0.216 38.219 38.000 0.006 0.000 1.233 309 I HN 0.491 nan 8.210 nan 0.000 0.430 310 E N 2.076 122.278 120.200 0.003 0.000 2.097 310 E HA -0.264 4.086 4.350 -0.001 0.000 0.196 310 E C 2.233 178.834 176.600 0.002 0.000 1.000 310 E CA 1.408 57.809 56.400 0.002 0.000 0.804 310 E CB -0.007 29.694 29.700 0.001 0.000 0.740 310 E HN 0.474 nan 8.360 nan 0.000 0.454 311 L N 0.472 121.697 121.223 0.002 0.000 2.051 311 L HA -0.243 4.097 4.340 -0.001 0.000 0.214 311 L C 2.952 179.824 176.870 0.003 0.000 1.076 311 L CA 1.734 56.575 54.840 0.002 0.000 0.758 311 L CB -0.238 41.822 42.059 0.002 0.000 0.890 311 L HN 0.227 nan 8.230 nan 0.000 0.433 312 R N -1.433 119.069 120.500 0.004 0.000 2.100 312 R HA -0.066 4.274 4.340 -0.001 0.000 0.220 312 R C 2.272 178.575 176.300 0.006 0.000 1.091 312 R CA 0.667 56.769 56.100 0.005 0.000 0.986 312 R CB 0.101 30.403 30.300 0.004 0.000 0.888 312 R HN 0.277 nan 8.270 nan 0.000 0.444 313 M N 0.271 119.874 119.600 0.005 0.000 2.077 313 M HA -0.110 4.370 4.480 -0.001 0.000 0.261 313 M C 2.085 178.387 176.300 0.003 0.000 1.070 313 M CA 1.463 56.766 55.300 0.005 0.000 1.125 313 M CB -0.795 31.806 32.600 0.003 0.000 1.339 313 M HN 0.023 nan 8.290 nan 0.000 0.409 314 R N 0.365 120.865 120.500 0.001 0.000 2.113 314 R HA -0.222 4.117 4.340 -0.001 0.000 0.244 314 R C 2.041 178.343 176.300 0.004 0.000 1.142 314 R CA 1.855 57.955 56.100 0.000 0.000 0.953 314 R CB -0.920 29.380 30.300 -0.000 0.000 0.860 314 R HN 0.406 nan 8.270 nan 0.000 0.438 315 E N 0.806 121.009 120.200 0.007 0.000 2.058 315 E HA -0.136 4.214 4.350 -0.001 0.000 0.194 315 E C 2.117 178.726 176.600 0.015 0.000 0.997 315 E CA 1.159 57.565 56.400 0.010 0.000 0.801 315 E CB -0.327 29.379 29.700 0.010 0.000 0.746 315 E HN 0.270 nan 8.360 nan 0.000 0.450 316 L N -0.373 120.860 121.223 0.017 0.000 2.083 316 L HA -0.137 4.202 4.340 -0.001 0.000 0.209 316 L C 2.407 179.295 176.870 0.031 0.000 1.083 316 L CA 1.098 55.954 54.840 0.027 0.000 0.752 316 L CB -0.421 41.653 42.059 0.025 0.000 0.899 316 L HN 0.244 nan 8.230 nan 0.000 0.433 317 A N -0.159 122.672 122.820 0.019 0.000 1.898 317 A HA -0.233 4.086 4.320 -0.001 0.000 0.216 317 A C 2.389 179.981 177.584 0.014 0.000 1.181 317 A CA 1.593 53.638 52.037 0.013 0.000 0.620 317 A CB -0.521 18.478 19.000 -0.002 0.000 0.819 317 A HN 0.353 nan 8.150 nan 0.000 0.442 318 R N -0.156 120.352 120.500 0.012 0.000 2.080 318 R HA -0.160 4.180 4.340 -0.001 0.000 0.236 318 R C 2.160 178.471 176.300 0.019 0.000 1.137 318 R CA 2.427 58.535 56.100 0.012 0.000 0.943 318 R CB -0.576 29.730 30.300 0.010 0.000 0.846 318 R HN 0.608 nan 8.270 nan 0.000 0.431 319 T N -1.657 112.913 114.554 0.026 0.000 3.067 319 T HA 0.222 4.572 4.350 -0.001 0.000 0.257 319 T C 1.036 175.763 174.700 0.045 0.000 1.105 319 T CA 0.152 62.271 62.100 0.033 0.000 1.104 319 T CB 0.002 68.891 68.868 0.035 0.000 0.925 319 T HN 0.116 nan 8.240 nan 0.000 0.498 320 I N 2.010 122.612 120.570 0.054 0.000 2.433 320 I HA 0.422 4.591 4.170 -0.001 0.000 0.292 320 I C -2.831 173.315 176.117 0.049 0.000 1.001 320 I CA -3.173 58.171 61.300 0.074 0.000 1.119 320 I CB 1.899 39.978 38.000 0.132 0.000 1.289 320 I HN -0.202 nan 8.210 nan 0.000 0.438 321 P HA 0.165 nan 4.420 nan 0.000 0.271 321 P C -2.125 175.178 177.300 0.004 0.000 1.226 321 P CA -1.211 61.894 63.100 0.008 0.000 0.765 321 P CB 0.210 31.904 31.700 -0.010 0.000 0.835 322 P HA -0.288 nan 4.420 nan 0.000 0.218 322 P C 1.666 178.955 177.300 -0.018 0.000 1.154 322 P CA 2.242 65.338 63.100 -0.006 0.000 0.872 322 P CB -0.476 31.217 31.700 -0.012 0.000 0.790 323 T N -3.556 110.980 114.554 -0.029 0.000 2.788 323 T HA -0.189 4.161 4.350 -0.001 0.000 0.268 323 T C 1.577 176.228 174.700 -0.082 0.000 1.044 323 T CA 1.726 63.800 62.100 -0.044 0.000 1.139 323 T CB -1.107 67.736 68.868 -0.041 0.000 0.867 323 T HN -0.037 nan 8.240 nan 0.000 0.454 324 D N 1.155 121.492 120.400 -0.105 0.000 2.092 324 D HA -0.005 4.635 4.640 -0.001 0.000 0.193 324 D C 2.072 178.195 176.300 -0.295 0.000 0.994 324 D CA 1.089 54.953 54.000 -0.226 0.000 0.828 324 D CB -0.411 40.297 40.800 -0.153 0.000 0.963 324 D HN 0.466 nan 8.370 nan 0.000 0.450 325 I N 0.558 121.098 120.570 -0.050 0.000 2.226 325 I HA -0.240 3.929 4.170 -0.001 0.000 0.245 325 I C 2.284 178.457 176.117 0.092 0.000 1.100 325 I CA 0.854 62.221 61.300 0.112 0.000 1.374 325 I CB -0.170 37.905 38.000 0.125 0.000 1.057 325 I HN 0.042 nan 8.210 nan 0.000 0.413 326 Q N 0.176 119.993 119.800 0.027 0.000 2.170 326 Q HA -0.208 4.132 4.340 -0.001 0.000 0.203 326 Q C 2.207 178.251 176.000 0.074 0.000 0.976 326 Q CA 1.336 57.176 55.803 0.060 0.000 0.858 326 Q CB -0.462 28.288 28.738 0.020 0.000 0.907 326 Q HN 0.418 nan 8.270 nan 0.000 0.433 327 L N -0.141 121.058 121.223 -0.041 0.000 1.994 327 L HA -0.196 4.143 4.340 -0.001 0.000 0.208 327 L C 1.986 178.858 176.870 0.004 0.000 1.071 327 L CA 1.835 56.623 54.840 -0.085 0.000 0.745 327 L CB -0.980 40.942 42.059 -0.229 0.000 0.892 327 L HN 0.079 nan 8.230 nan 0.000 0.431 328 Y N -1.553 118.817 120.300 0.117 0.000 2.207 328 Y HA -0.272 4.277 4.550 -0.001 0.000 0.287 328 Y C 2.524 178.506 175.900 0.137 0.000 1.156 328 Y CA 1.854 60.028 58.100 0.123 0.000 1.182 328 Y CB -1.329 37.208 38.460 0.129 0.000 0.979 328 Y HN 0.344 nan 8.280 nan 0.000 0.521 329 Y N 0.880 121.288 120.300 0.180 0.000 2.109 329 Y HA -0.301 4.249 4.550 -0.001 0.000 0.285 329 Y C 2.717 178.661 175.900 0.074 0.000 1.131 329 Y CA 1.990 60.160 58.100 0.116 0.000 1.121 329 Y CB -0.752 37.767 38.460 0.100 0.000 0.987 329 Y HN 0.095 nan 8.280 nan 0.000 0.495 330 Q N 0.106 119.998 119.800 0.154 0.000 2.084 330 Q HA -0.259 4.081 4.340 -0.001 0.000 0.215 330 Q C 2.105 178.076 176.000 -0.048 0.000 1.020 330 Q CA 3.498 59.314 55.803 0.023 0.000 0.887 330 Q CB -1.006 27.761 28.738 0.047 0.000 0.975 330 Q HN 0.570 nan 8.270 nan 0.000 0.413 331 T N 0.566 115.122 114.554 0.004 0.000 2.746 331 T HA -0.092 4.257 4.350 -0.001 0.000 0.267 331 T C 1.712 176.404 174.700 -0.013 0.000 1.039 331 T CA 1.344 63.443 62.100 -0.001 0.000 1.142 331 T CB -0.261 68.643 68.868 0.061 0.000 0.866 331 T HN 0.234 nan 8.240 nan 0.000 0.444 332 L N 0.194 121.412 121.223 -0.008 0.000 2.291 332 L HA 0.040 4.379 4.340 -0.001 0.000 0.214 332 L C 2.295 179.095 176.870 -0.116 0.000 1.120 332 L CA 0.485 55.305 54.840 -0.035 0.000 0.799 332 L CB -0.364 41.695 42.059 -0.000 0.000 0.925 332 L HN 0.235 nan 8.230 nan 0.000 0.446 333 L N 0.704 121.800 121.223 -0.212 0.000 2.049 333 L HA -0.135 4.204 4.340 -0.001 0.000 0.203 333 L C 2.351 179.147 176.870 -0.123 0.000 1.074 333 L CA 1.562 56.251 54.840 -0.252 0.000 0.749 333 L CB -0.310 41.514 42.059 -0.391 0.000 0.907 333 L HN 0.228 nan 8.230 nan 0.000 0.439 334 I N -2.287 118.228 120.570 -0.091 0.000 2.454 334 I HA -0.058 4.111 4.170 -0.001 0.000 0.254 334 I C 2.182 178.282 176.117 -0.027 0.000 1.156 334 I CA 1.381 62.652 61.300 -0.048 0.000 1.433 334 I CB -1.342 36.630 38.000 -0.047 0.000 1.082 334 I HN 0.259 nan 8.210 nan 0.000 0.432 335 G N 1.350 110.130 108.800 -0.033 0.000 2.469 335 G HA2 -0.305 3.655 3.960 -0.001 0.000 0.219 335 G HA3 -0.305 3.655 3.960 -0.001 0.000 0.219 335 G C 1.840 176.736 174.900 -0.007 0.000 1.150 335 G CA 1.036 46.127 45.100 -0.015 0.000 0.763 335 G HN 0.440 nan 8.290 nan 0.000 0.561 336 R N 0.322 120.808 120.500 -0.023 0.000 2.064 336 R HA -0.033 4.306 4.340 -0.001 0.000 0.228 336 R C 2.578 178.878 176.300 -0.000 0.000 1.144 336 R CA 1.673 57.764 56.100 -0.015 0.000 0.932 336 R CB -0.436 29.843 30.300 -0.035 0.000 0.833 336 R HN 0.294 nan 8.270 nan 0.000 0.429 337 K N 0.439 120.842 120.400 0.004 0.000 2.127 337 K HA -0.255 4.064 4.320 -0.001 0.000 0.212 337 K C 1.843 178.509 176.600 0.109 0.000 1.050 337 K CA 2.326 58.640 56.287 0.045 0.000 0.929 337 K CB -0.051 32.469 32.500 0.033 0.000 0.715 337 K HN 0.326 nan 8.250 nan 0.000 0.457 338 E N -0.045 120.207 120.200 0.088 0.000 2.158 338 E HA -0.145 4.205 4.350 -0.001 0.000 0.191 338 E C 1.869 178.530 176.600 0.102 0.000 0.982 338 E CA 0.418 56.902 56.400 0.139 0.000 0.823 338 E CB 0.016 29.758 29.700 0.070 0.000 0.766 338 E HN 0.152 nan 8.360 nan 0.000 0.468 339 L N 1.491 122.727 121.223 0.022 0.000 2.051 339 L HA -0.168 4.171 4.340 -0.001 0.000 0.214 339 L C -1.003 175.823 176.870 -0.072 0.000 1.076 339 L CA 2.038 56.868 54.840 -0.016 0.000 0.758 339 L CB -1.002 41.052 42.059 -0.007 0.000 0.890 339 L HN 0.050 nan 8.230 nan 0.000 0.433 340 P HA -0.206 nan 4.420 nan 0.000 0.216 340 P C 0.920 177.981 177.300 -0.399 0.000 1.150 340 P CA 1.843 64.699 63.100 -0.408 0.000 0.843 340 P CB -0.122 31.080 31.700 -0.830 0.000 0.787 341 Y N -1.604 118.692 120.300 -0.007 0.000 2.507 341 Y HA 0.366 4.916 4.550 -0.001 0.000 0.263 341 Y C 1.536 177.427 175.900 -0.014 0.000 1.093 341 Y CA -0.444 57.650 58.100 -0.009 0.000 1.285 341 Y CB -0.495 37.959 38.460 -0.010 0.000 1.115 341 Y HN -0.198 nan 8.280 nan 0.000 0.533 342 A N 2.413 125.295 122.820 0.103 0.000 2.520 342 A HA 0.025 4.345 4.320 -0.001 0.000 0.235 342 A C -1.025 176.568 177.584 0.015 0.000 1.065 342 A CA -0.880 51.181 52.037 0.041 0.000 0.764 342 A CB -0.291 18.710 19.000 0.001 0.000 1.002 342 A HN 0.174 nan 8.150 nan 0.000 0.502 343 P HA -0.111 nan 4.420 nan 0.000 0.217 343 P C 0.016 177.306 177.300 -0.017 0.000 1.148 343 P CA 1.954 65.052 63.100 -0.003 0.000 0.828 343 P CB 0.019 31.712 31.700 -0.013 0.000 0.783 344 D N -2.143 118.233 120.400 -0.041 0.000 2.804 344 D HA 0.120 4.759 4.640 -0.001 0.000 0.209 344 D C 0.922 177.160 176.300 -0.103 0.000 1.314 344 D CA -0.617 53.350 54.000 -0.056 0.000 0.894 344 D CB 0.946 41.709 40.800 -0.063 0.000 1.615 344 D HN -0.320 nan 8.370 nan 0.000 0.571 345 R N 2.007 122.464 120.500 -0.071 0.000 2.117 345 R HA -0.173 4.167 4.340 -0.001 0.000 0.243 345 R C 1.988 178.068 176.300 -0.367 0.000 1.143 345 R CA 1.581 57.632 56.100 -0.082 0.000 0.968 345 R CB -0.020 30.338 30.300 0.096 0.000 0.863 345 R HN 0.475 nan 8.270 nan 0.000 0.444 346 R N 0.949 121.039 120.500 -0.683 0.000 2.082 346 R HA -0.121 4.218 4.340 -0.001 0.000 0.228 346 R C 2.303 178.192 176.300 -0.684 0.000 1.140 346 R CA 1.760 57.087 56.100 -1.290 0.000 0.920 346 R CB -0.414 29.320 30.300 -0.943 0.000 0.828 346 R HN 0.068 nan 8.270 nan 0.000 0.430 347 M N 0.192 119.557 119.600 -0.393 0.000 2.153 347 M HA -0.227 4.253 4.480 -0.001 0.000 0.253 347 M C 1.952 178.135 176.300 -0.195 0.000 1.081 347 M CA 2.350 57.510 55.300 -0.233 0.000 1.076 347 M CB -0.418 32.096 32.600 -0.143 0.000 1.350 347 M HN 0.555 nan 8.290 nan 0.000 0.401 348 G N -1.528 107.156 108.800 -0.193 0.000 2.394 348 G HA2 -0.125 3.834 3.960 -0.001 0.000 0.214 348 G HA3 -0.125 3.834 3.960 -0.001 0.000 0.214 348 G C 1.293 176.118 174.900 -0.126 0.000 1.176 348 G CA 0.765 45.794 45.100 -0.119 0.000 0.786 348 G HN 0.382 nan 8.290 nan 0.000 0.533 349 V N 0.758 120.553 119.914 -0.199 0.000 2.295 349 V HA -0.189 3.930 4.120 -0.001 0.000 0.246 349 V C 2.666 178.677 176.094 -0.138 0.000 1.049 349 V CA 2.241 64.456 62.300 -0.141 0.000 1.024 349 V CB -0.558 31.190 31.823 -0.126 0.000 0.648 349 V HN 0.450 nan 8.190 nan 0.000 0.447 350 E N -0.633 119.432 120.200 -0.225 0.000 2.033 350 E HA -0.346 4.004 4.350 -0.001 0.000 0.199 350 E C 2.134 178.686 176.600 -0.079 0.000 1.011 350 E CA 2.067 58.377 56.400 -0.149 0.000 0.815 350 E CB -0.278 29.315 29.700 -0.179 0.000 0.755 350 E HN 0.429 nan 8.360 nan 0.000 0.451 351 M N 0.382 119.936 119.600 -0.076 0.000 2.202 351 M HA -0.139 4.341 4.480 -0.001 0.000 0.262 351 M C 2.059 178.355 176.300 -0.006 0.000 1.063 351 M CA 1.542 56.822 55.300 -0.033 0.000 1.097 351 M CB -0.152 32.429 32.600 -0.031 0.000 1.382 351 M HN -0.035 nan 8.290 nan 0.000 0.413 352 T N 0.212 114.757 114.554 -0.015 0.000 2.777 352 T HA -0.051 4.299 4.350 -0.001 0.000 0.266 352 T C 1.659 176.378 174.700 0.032 0.000 1.040 352 T CA 1.439 63.544 62.100 0.008 0.000 1.141 352 T CB -0.235 68.634 68.868 0.002 0.000 0.868 352 T HN 0.374 nan 8.240 nan 0.000 0.444 353 L N 0.446 121.680 121.223 0.019 0.000 2.156 353 L HA 0.073 4.413 4.340 -0.001 0.000 0.208 353 L C 2.365 179.262 176.870 0.044 0.000 1.095 353 L CA 0.669 55.527 54.840 0.031 0.000 0.770 353 L CB -0.431 41.633 42.059 0.008 0.000 0.914 353 L HN 0.244 nan 8.230 nan 0.000 0.439 354 L N -0.429 120.814 121.223 0.033 0.000 2.083 354 L HA -0.235 4.105 4.340 -0.001 0.000 0.209 354 L C 2.805 179.735 176.870 0.100 0.000 1.083 354 L CA 1.317 56.184 54.840 0.045 0.000 0.752 354 L CB -0.538 41.536 42.059 0.024 0.000 0.899 354 L HN 0.318 nan 8.230 nan 0.000 0.433 355 R N 0.262 120.836 120.500 0.123 0.000 2.091 355 R HA -0.192 4.147 4.340 -0.001 0.000 0.238 355 R C 2.376 178.843 176.300 0.280 0.000 1.136 355 R CA 1.497 57.728 56.100 0.219 0.000 0.959 355 R CB -0.220 30.160 30.300 0.132 0.000 0.856 355 R HN 0.331 nan 8.270 nan 0.000 0.437 356 A N 1.280 124.219 122.820 0.197 0.000 1.869 356 A HA -0.215 4.105 4.320 -0.001 0.000 0.218 356 A C 2.221 179.967 177.584 0.270 0.000 1.203 356 A CA 1.791 53.977 52.037 0.248 0.000 0.638 356 A CB -0.813 18.301 19.000 0.190 0.000 0.831 356 A HN 0.364 nan 8.150 nan 0.000 0.450 357 L N -1.012 120.302 121.223 0.152 0.000 2.017 357 L HA -0.184 4.156 4.340 -0.001 0.000 0.208 357 L C 3.115 180.066 176.870 0.135 0.000 1.073 357 L CA 1.123 56.021 54.840 0.097 0.000 0.745 357 L CB -0.718 41.347 42.059 0.009 0.000 0.894 357 L HN 0.450 nan 8.230 nan 0.000 0.432 358 A N -0.106 122.779 122.820 0.108 0.000 1.940 358 A HA -0.178 4.142 4.320 -0.001 0.000 0.219 358 A C 1.740 179.224 177.584 -0.167 0.000 1.176 358 A CA 1.608 53.626 52.037 -0.032 0.000 0.631 358 A CB -0.678 18.295 19.000 -0.046 0.000 0.814 358 A HN 0.395 nan 8.150 nan 0.000 0.446 359 F N -0.687 119.318 119.950 0.092 0.000 2.660 359 F HA 0.179 4.705 4.527 -0.001 0.000 0.302 359 F C 0.982 176.850 175.800 0.113 0.000 1.103 359 F CA -0.492 57.554 58.000 0.078 0.000 1.340 359 F CB -0.315 38.715 39.000 0.050 0.000 1.048 359 F HN 0.310 nan 8.300 nan 0.000 0.551 360 H N 2.863 122.035 119.070 0.170 0.000 3.001 360 H HA -0.024 4.531 4.556 -0.001 0.000 0.334 360 H C -1.639 173.746 175.328 0.095 0.000 1.034 360 H CA -0.912 55.235 56.048 0.164 0.000 1.420 360 H CB 1.415 31.270 29.762 0.154 0.000 1.405 360 H HN 0.008 nan 8.280 nan 0.000 0.593 361 P HA -0.048 nan 4.420 nan 0.000 0.218 361 P C 1.192 178.336 177.300 -0.260 0.000 1.152 361 P CA 0.827 63.779 63.100 -0.248 0.000 0.826 361 P CB 0.439 31.986 31.700 -0.254 0.000 0.790 362 R N -1.403 118.818 120.500 -0.465 0.000 2.237 362 R HA 0.333 4.673 4.340 -0.001 0.000 0.195 362 R C 0.786 177.087 176.300 0.001 0.000 0.956 362 R CA 0.452 56.446 56.100 -0.176 0.000 1.029 362 R CB -0.163 30.077 30.300 -0.100 0.000 0.972 362 R HN 0.308 nan 8.270 nan 0.000 0.493 363 M N 0.879 120.564 119.600 0.142 0.000 2.483 363 M HA 0.264 4.744 4.480 -0.001 0.000 0.251 363 M C -2.643 173.805 176.300 0.246 0.000 1.157 363 M CA -1.488 53.942 55.300 0.217 0.000 0.837 363 M CB 2.618 35.358 32.600 0.232 0.000 2.535 363 M HN -0.310 nan 8.290 nan 0.000 0.374 364 P HA 0.080 nan 4.420 nan 0.000 0.268 364 P C -0.342 176.985 177.300 0.045 0.000 1.208 364 P CA -0.492 62.657 63.100 0.082 0.000 0.777 364 P CB 0.540 32.239 31.700 -0.003 0.000 0.875 365 L N 4.390 125.624 121.223 0.017 0.000 2.514 365 L HA 0.134 4.474 4.340 -0.001 0.000 0.280 365 L C -1.806 175.049 176.870 -0.024 0.000 1.223 365 L CA -0.990 53.846 54.840 -0.007 0.000 0.864 365 L CB -1.064 40.983 42.059 -0.021 0.000 1.118 365 L HN 0.356 nan 8.230 nan 0.000 0.494 366 P HA 0.140 nan 4.420 nan 0.000 0.270 366 P C -0.831 176.453 177.300 -0.027 0.000 1.242 366 P CA -0.289 62.800 63.100 -0.018 0.000 0.768 366 P CB 0.412 32.105 31.700 -0.011 0.000 0.820 367 E N 4.266 124.447 120.200 -0.032 0.000 2.383 367 E HA 0.210 4.560 4.350 -0.001 0.000 0.264 367 E C -1.369 175.216 176.600 -0.024 0.000 1.050 367 E CA -1.380 54.999 56.400 -0.035 0.000 0.896 367 E CB -0.160 29.516 29.700 -0.040 0.000 0.982 367 E HN 0.342 nan 8.360 nan 0.000 0.424 368 P HA 0.000 nan 4.420 nan 0.000 0.216 368 P CA 0.000 63.091 63.100 -0.016 0.000 0.800 368 P CB 0.000 31.691 31.700 -0.015 0.000 0.726