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 3ol5_1_A DATA FIRST_RESID 10 DATA SEQUENCE NLAPLPPHVP EHLVFDFDMY NPSNLSAGVQ EAWAVLQESN VPDLVWTRCN DATA SEQUENCE GGHWIATRGQ LIREAYEDYR HFSSECPFIP REAGEAYDFI PTSMDPPEQR DATA SEQUENCE QFRALANQVV GMPVVDKLEN RIQELACSLI ESLRPQGQCN FTEDYAEPFP DATA SEQUENCE IRIFMLLAGL PEEDIPHLKY LTDQMTRPDG SMTFAEAKEA LYDYLIPIIE DATA SEQUENCE QRRQKPGTDA ISIVANGQVN GRPITSDEAK RMCGLLLVGG LDTVVNFLSF DATA SEQUENCE SMEFLAKSPE HRQELIERPE RIPAACEELL RRFSLVADGR ILTSDYEFHG DATA SEQUENCE VQLKKGDQIL LPQMLSGLDE RENAAPMHVD FSRQKVSHTT FGHGSHLCLG DATA SEQUENCE QHLARREIIV TLKEWLTRIP DFSIAPGAQI QHKSGIVSGV QALPLVWDPA DATA SEQUENCE TTKAV VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 10 N HA 0.000 nan 4.740 nan 0.000 0.220 10 N C 0.000 175.499 175.510 -0.018 0.000 1.280 10 N CA 0.000 53.040 53.050 -0.017 0.000 0.885 10 N CB 0.000 38.482 38.487 -0.009 0.000 1.341 11 L N 1.574 122.788 121.223 -0.016 0.000 2.289 11 L HA 0.630 4.977 4.340 0.012 0.000 0.285 11 L C 0.807 177.684 176.870 0.011 0.000 1.049 11 L CA -0.591 54.242 54.840 -0.011 0.000 0.804 11 L CB 1.235 43.284 42.059 -0.016 0.000 1.195 11 L HN 0.598 nan 8.230 nan 0.000 0.428 12 A N 5.658 128.495 122.820 0.029 0.000 2.371 12 A HA 0.568 4.895 4.320 0.012 0.000 0.257 12 A C -2.196 175.432 177.584 0.072 0.000 1.089 12 A CA -1.209 50.863 52.037 0.057 0.000 0.794 12 A CB -0.253 18.797 19.000 0.084 0.000 1.029 12 A HN 0.479 nan 8.150 nan 0.000 0.488 13 P HA 0.123 nan 4.420 nan 0.000 0.268 13 P C -0.414 176.901 177.300 0.024 0.000 1.204 13 P CA -0.283 62.834 63.100 0.030 0.000 0.768 13 P CB 0.451 32.160 31.700 0.015 0.000 0.842 14 L N 6.747 127.956 121.223 -0.024 0.000 2.562 14 L HA 0.176 4.523 4.340 0.012 0.000 0.271 14 L C -2.107 174.632 176.870 -0.218 0.000 1.167 14 L CA -1.247 53.508 54.840 -0.141 0.000 0.917 14 L CB -0.901 41.058 42.059 -0.167 0.000 1.187 14 L HN 0.283 nan 8.230 nan 0.000 0.482 15 P HA 0.149 nan 4.420 nan 0.000 0.269 15 P C -2.124 175.002 177.300 -0.289 0.000 1.209 15 P CA -0.952 61.988 63.100 -0.266 0.000 0.776 15 P CB 0.082 31.591 31.700 -0.319 0.000 0.876 16 P HA -0.161 nan 4.420 nan 0.000 0.226 16 P C 1.049 178.315 177.300 -0.056 0.000 1.153 16 P CA 1.359 64.415 63.100 -0.074 0.000 0.777 16 P CB -0.325 31.369 31.700 -0.010 0.000 0.794 17 H N -0.958 118.042 119.070 -0.117 0.000 2.547 17 H HA 0.092 4.655 4.556 0.012 0.000 0.272 17 H C 0.043 175.327 175.328 -0.074 0.000 0.989 17 H CA 0.151 56.161 56.048 -0.064 0.000 1.214 17 H CB -0.908 28.847 29.762 -0.012 0.000 1.389 17 H HN -0.101 nan 8.280 nan 0.000 0.577 18 V N 5.591 125.131 119.914 -0.625 0.000 2.385 18 V HA 0.189 4.316 4.120 0.012 0.000 0.269 18 V C -1.899 174.018 176.094 -0.295 0.000 1.043 18 V CA -1.552 60.412 62.300 -0.559 0.000 0.906 18 V CB 1.256 32.387 31.823 -1.154 0.000 0.995 18 V HN 0.250 nan 8.190 nan 0.000 0.467 19 P HA 0.198 nan 4.420 nan 0.000 0.271 19 P C 0.576 177.799 177.300 -0.128 0.000 1.218 19 P CA -0.193 62.856 63.100 -0.084 0.000 0.780 19 P CB 1.121 32.815 31.700 -0.009 0.000 0.901 20 E N 0.890 121.071 120.200 -0.031 0.000 2.204 20 E HA -0.197 4.160 4.350 0.012 0.000 0.194 20 E C 1.672 178.289 176.600 0.028 0.000 0.989 20 E CA 0.854 57.245 56.400 -0.015 0.000 0.824 20 E CB -0.325 29.381 29.700 0.009 0.000 0.756 20 E HN 0.670 nan 8.360 nan 0.000 0.477 21 H N 0.315 119.407 119.070 0.036 0.000 2.545 21 H HA -0.006 4.557 4.556 0.012 0.000 0.282 21 H C 1.560 176.945 175.328 0.095 0.000 1.020 21 H CA 0.595 56.676 56.048 0.056 0.000 1.243 21 H CB -0.109 29.680 29.762 0.044 0.000 1.377 21 H HN 0.183 nan 8.280 nan 0.000 0.581 22 L N 1.416 122.476 121.223 -0.273 0.000 2.607 22 L HA 0.185 4.532 4.340 0.012 0.000 0.228 22 L C 0.155 177.090 176.870 0.108 0.000 1.123 22 L CA -0.242 54.557 54.840 -0.068 0.000 0.890 22 L CB 0.712 42.748 42.059 -0.038 0.000 1.103 22 L HN -0.014 nan 8.230 nan 0.000 0.468 23 V N 0.783 120.751 119.914 0.091 0.000 2.408 23 V HA 0.128 4.255 4.120 0.012 0.000 0.267 23 V C -0.632 175.569 176.094 0.179 0.000 1.047 23 V CA 0.030 62.415 62.300 0.141 0.000 0.937 23 V CB 0.924 32.795 31.823 0.081 0.000 0.999 23 V HN 0.076 nan 8.190 nan 0.000 0.472 24 F N 3.889 123.855 119.950 0.026 0.000 2.659 24 F HA 0.430 4.964 4.527 0.013 0.000 0.342 24 F C 0.209 176.003 175.800 -0.011 0.000 1.168 24 F CA -0.677 57.330 58.000 0.012 0.000 1.003 24 F CB 1.483 40.490 39.000 0.011 0.000 1.267 24 F HN 0.487 nan 8.300 nan 0.000 0.463 25 D N 6.859 127.171 120.400 -0.145 0.000 2.688 25 D HA 0.004 4.651 4.640 0.012 0.000 0.228 25 D C -0.245 176.029 176.300 -0.042 0.000 1.116 25 D CA 0.274 54.219 54.000 -0.092 0.000 1.023 25 D CB -0.145 40.577 40.800 -0.130 0.000 1.100 25 D HN 0.269 nan 8.370 nan 0.000 0.487 26 F N 1.846 121.786 119.950 -0.016 0.000 2.495 26 F HA 0.076 4.611 4.527 0.012 0.000 0.365 26 F C 0.562 176.273 175.800 -0.149 0.000 1.090 26 F CA -0.437 57.541 58.000 -0.038 0.000 1.235 26 F CB 0.768 39.777 39.000 0.014 0.000 1.119 26 F HN -0.102 nan 8.300 nan 0.000 0.562 27 D N 7.243 127.142 120.400 -0.835 0.000 2.454 27 D HA 0.106 4.753 4.640 0.012 0.000 0.225 27 D C 0.872 176.627 176.300 -0.908 0.000 1.081 27 D CA -0.445 53.195 54.000 -0.601 0.000 0.864 27 D CB 0.899 41.489 40.800 -0.350 0.000 1.040 27 D HN 0.731 nan 8.370 nan 0.000 0.517 28 M N 1.886 121.126 119.600 -0.602 0.000 2.460 28 M HA -0.072 4.415 4.480 0.012 0.000 0.263 28 M C 0.156 176.207 176.300 -0.415 0.000 1.071 28 M CA 1.175 56.142 55.300 -0.555 0.000 1.096 28 M CB -0.150 32.319 32.600 -0.218 0.000 1.408 28 M HN 0.175 nan 8.290 nan 0.000 0.463 29 Y N 0.243 120.476 120.300 -0.112 0.000 2.462 29 Y HA 0.285 4.842 4.550 0.012 0.000 0.261 29 Y C 0.386 176.251 175.900 -0.059 0.000 1.146 29 Y CA -0.153 57.927 58.100 -0.033 0.000 1.283 29 Y CB 0.379 38.819 38.460 -0.033 0.000 1.090 29 Y HN 0.437 nan 8.280 nan 0.000 0.526 30 N N 0.167 118.834 118.700 -0.055 0.000 2.805 30 N HA 0.132 4.879 4.740 0.012 0.000 0.216 30 N C -3.297 172.089 175.510 -0.207 0.000 1.447 30 N CA -1.359 51.648 53.050 -0.071 0.000 0.785 30 N CB 0.745 39.211 38.487 -0.036 0.000 1.458 30 N HN -0.205 nan 8.380 nan 0.000 0.547 31 P HA 0.156 nan 4.420 nan 0.000 0.272 31 P C -0.044 177.161 177.300 -0.158 0.000 1.223 31 P CA -0.082 62.766 63.100 -0.420 0.000 0.784 31 P CB 0.737 32.174 31.700 -0.437 0.000 0.923 32 S N 0.807 116.433 115.700 -0.124 0.000 2.572 32 S HA 0.016 4.493 4.470 0.012 0.000 0.279 32 S C 0.836 175.446 174.600 0.016 0.000 1.341 32 S CA -0.168 58.006 58.200 -0.042 0.000 1.043 32 S CB -0.426 62.751 63.200 -0.038 0.000 0.887 32 S HN 0.768 nan 8.310 nan 0.000 0.516 33 N N -0.241 118.472 118.700 0.022 0.000 2.725 33 N HA -0.169 4.578 4.740 0.012 0.000 0.249 33 N C 0.549 176.102 175.510 0.071 0.000 1.103 33 N CA 0.554 53.631 53.050 0.044 0.000 0.707 33 N CB -0.843 37.675 38.487 0.052 0.000 1.043 33 N HN 0.751 nan 8.380 nan 0.000 0.553 34 L N 1.502 122.769 121.223 0.072 0.000 2.137 34 L HA -0.188 4.159 4.340 0.012 0.000 0.213 34 L C 2.393 179.317 176.870 0.090 0.000 1.085 34 L CA 2.704 57.613 54.840 0.115 0.000 0.760 34 L CB -0.854 41.270 42.059 0.108 0.000 0.893 34 L HN 0.491 nan 8.230 nan 0.000 0.434 35 S N -0.878 114.852 115.700 0.050 0.000 2.419 35 S HA -0.146 4.331 4.470 0.012 0.000 0.235 35 S C 1.976 176.577 174.600 0.001 0.000 1.019 35 S CA 0.825 59.035 58.200 0.017 0.000 0.982 35 S CB -0.953 62.256 63.200 0.015 0.000 0.789 35 S HN 0.534 nan 8.310 nan 0.000 0.490 36 A N 1.185 124.024 122.820 0.032 0.000 2.206 36 A HA 0.545 4.872 4.320 0.012 0.000 0.211 36 A C 1.206 178.818 177.584 0.047 0.000 1.158 36 A CA 0.443 52.503 52.037 0.037 0.000 0.761 36 A CB -0.931 18.104 19.000 0.058 0.000 0.801 36 A HN 1.656 nan 8.150 nan 0.000 0.473 37 G N -2.421 106.408 108.800 0.047 0.000 2.697 37 G HA2 0.109 4.076 3.960 0.012 0.000 0.684 37 G HA3 0.109 4.076 3.960 0.012 0.000 0.684 37 G C 0.333 175.432 174.900 0.331 0.000 1.274 37 G CA -0.137 45.047 45.100 0.141 0.000 0.806 37 G HN 0.899 nan 8.290 nan 0.000 0.644 38 V N 1.627 121.902 119.914 0.601 0.000 2.379 38 V HA -0.103 4.024 4.120 0.012 0.000 0.245 38 V C 2.625 178.928 176.094 0.349 0.000 1.044 38 V CA 3.228 65.805 62.300 0.461 0.000 1.036 38 V CB -0.275 31.825 31.823 0.461 0.000 0.664 38 V HN 0.806 nan 8.190 nan 0.000 0.453 39 Q N 0.206 120.089 119.800 0.139 0.000 2.096 39 Q HA -0.239 4.109 4.340 0.012 0.000 0.204 39 Q C 2.082 178.160 176.000 0.129 0.000 0.982 39 Q CA 2.395 58.215 55.803 0.028 0.000 0.850 39 Q CB -0.334 28.320 28.738 -0.141 0.000 0.901 39 Q HN 0.711 nan 8.270 nan 0.000 0.422 40 E N 0.147 120.430 120.200 0.138 0.000 2.110 40 E HA -0.158 4.199 4.350 0.012 0.000 0.193 40 E C 1.828 178.535 176.600 0.179 0.000 0.988 40 E CA 1.271 57.746 56.400 0.126 0.000 0.804 40 E CB -0.346 29.420 29.700 0.110 0.000 0.745 40 E HN 0.420 nan 8.360 nan 0.000 0.458 41 A N -0.181 122.791 122.820 0.255 0.000 1.930 41 A HA -0.155 4.172 4.320 0.012 0.000 0.217 41 A C 1.674 179.464 177.584 0.344 0.000 1.175 41 A CA 1.182 53.385 52.037 0.277 0.000 0.627 41 A CB -0.851 18.315 19.000 0.276 0.000 0.815 41 A HN 0.358 nan 8.150 nan 0.000 0.443 42 W N -0.443 120.956 121.300 0.165 0.000 2.518 42 W HA 0.195 4.863 4.660 0.013 0.000 0.273 42 W C 2.528 178.982 176.519 -0.109 0.000 1.247 42 W CA 0.824 58.195 57.345 0.043 0.000 1.288 42 W CB -0.215 29.250 29.460 0.008 0.000 1.107 42 W HN 0.341 nan 8.180 nan 0.000 0.586 43 A N -0.134 122.783 122.820 0.162 0.000 2.216 43 A HA -0.062 4.265 4.320 0.012 0.000 0.214 43 A C 1.972 179.551 177.584 -0.008 0.000 1.160 43 A CA 1.260 53.320 52.037 0.039 0.000 0.725 43 A CB -0.845 18.171 19.000 0.026 0.000 0.784 43 A HN 0.127 nan 8.150 nan 0.000 0.472 44 V N -0.108 119.819 119.914 0.022 0.000 2.568 44 V HA -0.215 3.912 4.120 0.012 0.000 0.253 44 V C 2.131 178.136 176.094 -0.149 0.000 1.072 44 V CA 2.021 64.332 62.300 0.019 0.000 1.084 44 V CB -0.437 31.482 31.823 0.160 0.000 0.676 44 V HN 0.646 nan 8.190 nan 0.000 0.469 45 L N -0.644 120.398 121.223 -0.302 0.000 2.549 45 L HA -0.103 4.245 4.340 0.012 0.000 0.229 45 L C 2.099 178.774 176.870 -0.326 0.000 1.158 45 L CA 1.130 55.666 54.840 -0.505 0.000 0.842 45 L CB -0.297 41.426 42.059 -0.560 0.000 0.952 45 L HN 0.421 nan 8.230 nan 0.000 0.452 46 Q N -0.761 118.924 119.800 -0.191 0.000 2.179 46 Q HA 0.140 4.488 4.340 0.012 0.000 0.213 46 Q C -0.141 175.805 176.000 -0.091 0.000 0.833 46 Q CA -0.187 55.539 55.803 -0.129 0.000 0.990 46 Q CB 0.701 29.384 28.738 -0.093 0.000 1.132 46 Q HN 0.452 nan 8.270 nan 0.000 0.493 47 E N 0.552 120.700 120.200 -0.087 0.000 2.390 47 E HA -0.003 4.354 4.350 0.012 0.000 0.261 47 E C 0.813 177.390 176.600 -0.038 0.000 1.076 47 E CA 0.243 56.620 56.400 -0.039 0.000 0.905 47 E CB 0.867 30.567 29.700 -0.001 0.000 0.984 47 E HN 0.173 nan 8.360 nan 0.000 0.427 48 S N 1.714 117.403 115.700 -0.017 0.000 2.442 48 S HA -0.168 4.309 4.470 0.012 0.000 0.236 48 S C 1.182 175.779 174.600 -0.006 0.000 1.007 48 S CA 1.045 59.236 58.200 -0.016 0.000 0.965 48 S CB -0.217 62.978 63.200 -0.009 0.000 0.773 48 S HN 0.624 nan 8.310 nan 0.000 0.504 49 N N 1.299 120.006 118.700 0.012 0.000 2.398 49 N HA 0.037 4.784 4.740 0.012 0.000 0.188 49 N C -0.199 175.334 175.510 0.038 0.000 1.122 49 N CA 0.017 53.088 53.050 0.035 0.000 0.866 49 N CB -0.168 38.356 38.487 0.062 0.000 0.970 49 N HN 0.343 nan 8.380 nan 0.000 0.462 50 V N 2.227 122.131 119.914 -0.017 0.000 2.383 50 V HA 0.343 4.470 4.120 0.012 0.000 0.275 50 V C -2.005 174.050 176.094 -0.066 0.000 1.036 50 V CA -1.586 60.667 62.300 -0.077 0.000 0.889 50 V CB 1.171 32.828 31.823 -0.277 0.000 0.985 50 V HN 0.015 nan 8.190 nan 0.000 0.459 51 P HA 0.105 nan 4.420 nan 0.000 0.270 51 P C 0.340 177.607 177.300 -0.055 0.000 1.227 51 P CA -0.159 62.937 63.100 -0.006 0.000 0.788 51 P CB 0.627 32.358 31.700 0.052 0.000 0.926 52 D N -0.379 119.982 120.400 -0.065 0.000 2.218 52 D HA -0.040 4.608 4.640 0.012 0.000 0.204 52 D C 0.343 176.595 176.300 -0.080 0.000 0.976 52 D CA 1.434 55.368 54.000 -0.109 0.000 0.853 52 D CB -0.119 40.576 40.800 -0.175 0.000 0.939 52 D HN 0.055 nan 8.370 nan 0.000 0.481 53 L N 0.528 121.740 121.223 -0.018 0.000 2.441 53 L HA 0.351 4.698 4.340 0.012 0.000 0.270 53 L C -0.863 176.121 176.870 0.190 0.000 0.973 53 L CA -0.998 53.886 54.840 0.073 0.000 0.842 53 L CB 1.843 43.920 42.059 0.029 0.000 1.239 53 L HN -0.154 nan 8.230 nan 0.000 0.406 54 V N 1.615 121.686 119.914 0.262 0.000 3.046 54 V HA 0.679 4.806 4.120 0.012 0.000 0.316 54 V C -1.278 175.075 176.094 0.432 0.000 1.104 54 V CA -0.767 61.714 62.300 0.301 0.000 1.006 54 V CB 2.122 34.017 31.823 0.119 0.000 1.058 54 V HN 0.914 nan 8.190 nan 0.000 0.440 55 W N 2.276 123.596 121.300 0.033 0.000 2.475 55 W HA 0.642 5.309 4.660 0.012 0.000 0.317 55 W C -0.765 175.631 176.519 -0.206 0.000 1.046 55 W CA -0.198 56.971 57.345 -0.295 0.000 1.215 55 W CB 1.948 31.021 29.460 -0.644 0.000 1.335 55 W HN 0.886 nan 8.180 nan 0.000 0.471 56 T N 5.025 119.134 114.554 -0.741 0.000 2.859 56 T HA 0.376 4.733 4.350 0.012 0.000 0.281 56 T C 0.930 175.173 174.700 -0.763 0.000 1.005 56 T CA -0.442 61.325 62.100 -0.555 0.000 1.025 56 T CB 1.151 69.750 68.868 -0.449 0.000 0.977 56 T HN 0.629 nan 8.240 nan 0.000 0.458 57 R N 1.900 122.239 120.500 -0.269 0.000 2.310 57 R HA 0.214 4.561 4.340 0.012 0.000 0.202 57 R C 0.489 176.712 176.300 -0.128 0.000 0.933 57 R CA -0.230 55.805 56.100 -0.107 0.000 1.054 57 R CB -0.292 30.039 30.300 0.052 0.000 0.985 57 R HN 0.533 nan 8.270 nan 0.000 0.489 58 C N 1.303 120.494 119.300 -0.181 0.000 2.595 58 C HA 0.122 4.590 4.460 0.012 0.000 0.384 58 C C 0.866 175.837 174.990 -0.032 0.000 1.289 58 C CA -0.422 58.538 59.018 -0.098 0.000 2.372 58 C CB 0.019 27.697 27.740 -0.102 0.000 2.593 58 C HN 0.694 nan 8.230 nan 0.000 0.639 59 N N 0.510 119.229 118.700 0.031 0.000 2.735 59 N HA -0.152 4.595 4.740 0.012 0.000 0.248 59 N C 0.730 176.290 175.510 0.084 0.000 1.083 59 N CA 0.844 53.950 53.050 0.093 0.000 0.703 59 N CB -1.191 37.419 38.487 0.205 0.000 1.005 59 N HN 1.380 nan 8.380 nan 0.000 0.550 60 G N -1.766 107.059 108.800 0.041 0.000 2.241 60 G HA2 0.088 4.055 3.960 0.012 0.000 0.244 60 G HA3 0.088 4.055 3.960 0.012 0.000 0.244 60 G C 0.566 175.490 174.900 0.040 0.000 0.998 60 G CA 0.363 45.492 45.100 0.050 0.000 0.621 60 G HN 1.624 nan 8.290 nan 0.000 0.519 61 G N -0.764 107.989 108.800 -0.077 0.000 3.039 61 G HA2 0.571 4.538 3.960 0.012 0.000 0.686 61 G HA3 0.571 4.538 3.960 0.012 0.000 0.686 61 G C -0.545 173.898 174.900 -0.763 0.000 1.066 61 G CA 0.617 45.475 45.100 -0.403 0.000 0.774 61 G HN 2.869 nan 8.290 nan 0.000 0.591 62 H N -1.826 116.232 119.070 -1.686 0.000 3.024 62 H HA 0.614 5.177 4.556 0.012 0.000 0.324 62 H C -0.625 174.020 175.328 -1.139 0.000 1.347 62 H CA -1.571 53.748 56.048 -1.214 0.000 1.182 62 H CB 0.077 29.591 29.762 -0.413 0.000 1.889 62 H HN 0.705 nan 8.280 nan 0.000 0.528 63 W N 1.251 122.465 121.300 -0.144 0.000 2.161 63 W HA 0.555 5.223 4.660 0.012 0.000 0.344 63 W C -0.200 176.385 176.519 0.110 0.000 1.262 63 W CA -0.457 56.940 57.345 0.087 0.000 1.270 63 W CB 0.686 30.299 29.460 0.256 0.000 1.126 63 W HN 0.445 nan 8.180 nan 0.000 0.598 64 I N 2.604 123.373 120.570 0.332 0.000 2.478 64 I HA 0.384 4.561 4.170 0.012 0.000 0.287 64 I C -0.195 176.004 176.117 0.137 0.000 1.042 64 I CA -1.199 60.219 61.300 0.197 0.000 1.067 64 I CB 1.382 39.425 38.000 0.071 0.000 1.233 64 I HN 0.435 nan 8.210 nan 0.000 0.431 65 A N 3.324 126.193 122.820 0.081 0.000 2.362 65 A HA 0.490 4.818 4.320 0.012 0.000 0.276 65 A C 0.971 178.538 177.584 -0.029 0.000 1.153 65 A CA -0.107 51.941 52.037 0.019 0.000 0.813 65 A CB 0.198 19.191 19.000 -0.011 0.000 1.081 65 A HN 0.868 nan 8.150 nan 0.000 0.507 66 T N -0.215 114.297 114.554 -0.070 0.000 3.040 66 T HA 0.248 4.605 4.350 0.012 0.000 0.250 66 T C 0.625 175.265 174.700 -0.100 0.000 1.058 66 T CA -0.049 61.987 62.100 -0.107 0.000 0.988 66 T CB 0.079 68.847 68.868 -0.167 0.000 0.993 66 T HN 0.534 nan 8.240 nan 0.000 0.519 67 R N 0.145 120.586 120.500 -0.099 0.000 2.750 67 R HA 0.587 4.934 4.340 0.012 0.000 0.281 67 R C 1.465 177.711 176.300 -0.090 0.000 0.972 67 R CA -0.318 55.722 56.100 -0.100 0.000 0.912 67 R CB 1.200 31.425 30.300 -0.124 0.000 1.187 67 R HN 0.200 nan 8.270 nan 0.000 0.464 68 G N 0.928 109.680 108.800 -0.079 0.000 2.469 68 G HA2 -0.333 3.634 3.960 0.012 0.000 0.219 68 G HA3 -0.333 3.634 3.960 0.012 0.000 0.219 68 G C 1.056 175.907 174.900 -0.081 0.000 1.150 68 G CA 0.806 45.862 45.100 -0.073 0.000 0.763 68 G HN 0.631 nan 8.290 nan 0.000 0.561 69 Q N -0.644 119.102 119.800 -0.090 0.000 2.061 69 Q HA -0.095 4.252 4.340 0.012 0.000 0.204 69 Q C 2.535 178.492 176.000 -0.071 0.000 0.984 69 Q CA 1.189 56.945 55.803 -0.079 0.000 0.846 69 Q CB -0.157 28.526 28.738 -0.090 0.000 0.902 69 Q HN 0.414 nan 8.270 nan 0.000 0.421 70 L N 0.269 121.405 121.223 -0.145 0.000 2.109 70 L HA -0.126 4.222 4.340 0.012 0.000 0.207 70 L C 2.189 179.073 176.870 0.024 0.000 1.086 70 L CA 1.184 55.971 54.840 -0.088 0.000 0.760 70 L CB -0.401 41.532 42.059 -0.210 0.000 0.910 70 L HN 0.271 nan 8.230 nan 0.000 0.437 71 I N -0.860 119.685 120.570 -0.042 0.000 2.163 71 I HA -0.356 3.821 4.170 0.012 0.000 0.243 71 I C 2.652 178.787 176.117 0.031 0.000 1.085 71 I CA 1.350 62.618 61.300 -0.053 0.000 1.347 71 I CB -0.300 37.703 38.000 0.005 0.000 1.044 71 I HN 0.187 nan 8.210 nan 0.000 0.408 72 R N 0.494 121.003 120.500 0.015 0.000 2.073 72 R HA -0.179 4.168 4.340 0.012 0.000 0.234 72 R C 2.266 178.701 176.300 0.225 0.000 1.134 72 R CA 1.575 57.670 56.100 -0.009 0.000 0.952 72 R CB -0.318 29.811 30.300 -0.284 0.000 0.850 72 R HN 0.426 nan 8.270 nan 0.000 0.433 73 E N 0.161 120.475 120.200 0.190 0.000 2.077 73 E HA -0.190 4.168 4.350 0.012 0.000 0.193 73 E C 2.037 178.783 176.600 0.244 0.000 0.989 73 E CA 1.199 57.774 56.400 0.293 0.000 0.800 73 E CB -0.091 29.852 29.700 0.406 0.000 0.746 73 E HN 0.385 nan 8.360 nan 0.000 0.452 74 A N 0.437 123.252 122.820 -0.008 0.000 1.930 74 A HA -0.175 4.152 4.320 0.012 0.000 0.217 74 A C 1.785 179.244 177.584 -0.208 0.000 1.175 74 A CA 1.133 52.832 52.037 -0.563 0.000 0.627 74 A CB -0.666 17.513 19.000 -1.367 0.000 0.815 74 A HN 0.252 nan 8.150 nan 0.000 0.443 75 Y N 0.489 120.815 120.300 0.044 0.000 2.352 75 Y HA -0.115 4.443 4.550 0.012 0.000 0.292 75 Y C 2.326 178.359 175.900 0.221 0.000 1.136 75 Y CA 1.367 59.564 58.100 0.162 0.000 1.227 75 Y CB -0.364 38.230 38.460 0.223 0.000 0.991 75 Y HN 0.490 nan 8.280 nan 0.000 0.545 76 E N -0.840 119.587 120.200 0.378 0.000 2.152 76 E HA -0.138 4.220 4.350 0.012 0.000 0.192 76 E C 0.449 177.214 176.600 0.275 0.000 0.983 76 E CA 0.905 57.478 56.400 0.289 0.000 0.818 76 E CB 0.041 29.902 29.700 0.268 0.000 0.758 76 E HN 0.134 nan 8.360 nan 0.000 0.467 77 D N 0.145 120.709 120.400 0.274 0.000 2.631 77 D HA -0.015 4.632 4.640 0.012 0.000 0.227 77 D C 0.422 176.808 176.300 0.143 0.000 1.146 77 D CA -0.405 53.700 54.000 0.176 0.000 1.009 77 D CB -0.175 40.830 40.800 0.341 0.000 1.057 77 D HN 0.211 nan 8.370 nan 0.000 0.509 78 Y N 0.740 121.132 120.300 0.152 0.000 2.421 78 Y HA 0.051 4.607 4.550 0.011 0.000 0.292 78 Y C 1.837 177.744 175.900 0.011 0.000 1.136 78 Y CA 0.464 58.641 58.100 0.128 0.000 1.255 78 Y CB -0.297 38.237 38.460 0.123 0.000 0.991 78 Y HN 0.026 nan 8.280 nan 0.000 0.552 79 R N -0.183 119.892 120.500 -0.709 0.000 2.096 79 R HA -0.119 4.228 4.340 0.012 0.000 0.235 79 R C 1.482 177.464 176.300 -0.530 0.000 1.127 79 R CA 2.086 57.836 56.100 -0.583 0.000 0.968 79 R CB -0.442 29.408 30.300 -0.751 0.000 0.861 79 R HN 0.584 nan 8.270 nan 0.000 0.440 80 H N -2.193 116.605 119.070 -0.452 0.000 2.516 80 H HA 0.123 4.686 4.556 0.012 0.000 0.284 80 H C -0.286 174.632 175.328 -0.684 0.000 0.999 80 H CA 0.174 55.794 56.048 -0.713 0.000 1.303 80 H CB 0.518 29.510 29.762 -1.284 0.000 1.452 80 H HN -0.038 nan 8.280 nan 0.000 0.530 81 F N 1.018 120.957 119.950 -0.018 0.000 2.359 81 F HA 0.303 4.837 4.527 0.012 0.000 0.369 81 F C 0.128 175.959 175.800 0.053 0.000 1.084 81 F CA -0.732 57.264 58.000 -0.007 0.000 1.096 81 F CB 1.334 40.293 39.000 -0.069 0.000 1.335 81 F HN -0.117 nan 8.300 nan 0.000 0.457 82 S N 0.905 116.713 115.700 0.179 0.000 2.585 82 S HA 0.298 4.775 4.470 0.012 0.000 0.277 82 S C 1.001 175.671 174.600 0.117 0.000 1.241 82 S CA -0.489 57.801 58.200 0.150 0.000 1.041 82 S CB 1.128 64.383 63.200 0.090 0.000 0.987 82 S HN 0.502 nan 8.310 nan 0.000 0.512 83 S N 2.716 118.477 115.700 0.101 0.000 2.593 83 S HA 0.041 4.518 4.470 0.012 0.000 0.217 83 S C 1.543 176.131 174.600 -0.019 0.000 0.966 83 S CA 0.007 58.206 58.200 -0.002 0.000 0.914 83 S CB -0.181 62.966 63.200 -0.090 0.000 0.776 83 S HN 0.869 nan 8.310 nan 0.000 0.523 84 E N 0.429 120.641 120.200 0.020 0.000 2.118 84 E HA -0.166 4.191 4.350 0.012 0.000 0.195 84 E C -0.330 176.259 176.600 -0.019 0.000 0.992 84 E CA 0.865 57.273 56.400 0.013 0.000 0.804 84 E CB 0.093 29.811 29.700 0.029 0.000 0.741 84 E HN 0.371 nan 8.360 nan 0.000 0.458 85 C N 1.767 121.041 119.300 -0.044 0.000 3.188 85 C HA 0.328 4.795 4.460 0.012 0.000 0.230 85 C C -1.936 172.954 174.990 -0.167 0.000 1.239 85 C CA -1.079 57.885 59.018 -0.089 0.000 1.494 85 C CB 1.030 28.759 27.740 -0.018 0.000 1.798 85 C HN 0.371 nan 8.230 nan 0.000 0.458 86 P HA 0.164 nan 4.420 nan 0.000 0.261 86 P C -0.239 176.835 177.300 -0.376 0.000 1.268 86 P CA 0.463 63.303 63.100 -0.433 0.000 0.833 86 P CB 0.289 31.612 31.700 -0.628 0.000 1.231 87 F N 0.075 119.908 119.950 -0.195 0.000 2.522 87 F HA 0.453 4.987 4.527 0.011 0.000 0.324 87 F C 0.701 176.419 175.800 -0.136 0.000 1.077 87 F CA -2.124 55.753 58.000 -0.204 0.000 0.944 87 F CB 0.994 39.801 39.000 -0.321 0.000 1.175 87 F HN -0.358 nan 8.300 nan 0.000 0.468 88 I N 5.078 125.710 120.570 0.102 0.000 2.359 88 I HA 0.350 4.527 4.170 0.012 0.000 0.294 88 I C -2.079 174.133 176.117 0.158 0.000 0.987 88 I CA -1.810 59.504 61.300 0.022 0.000 1.225 88 I CB 1.579 39.443 38.000 -0.227 0.000 1.366 88 I HN 0.361 nan 8.210 nan 0.000 0.466 89 P HA 0.209 nan 4.420 nan 0.000 0.278 89 P C 0.343 177.667 177.300 0.041 0.000 1.258 89 P CA -0.615 62.515 63.100 0.051 0.000 0.811 89 P CB 1.110 32.824 31.700 0.024 0.000 1.063 90 R N 1.153 121.677 120.500 0.040 0.000 2.119 90 R HA -0.222 4.125 4.340 0.012 0.000 0.246 90 R C 2.129 178.454 176.300 0.040 0.000 1.146 90 R CA 2.497 58.623 56.100 0.042 0.000 0.962 90 R CB -0.405 29.927 30.300 0.054 0.000 0.863 90 R HN 0.651 nan 8.270 nan 0.000 0.442 91 E N -0.237 119.986 120.200 0.040 0.000 2.118 91 E HA -0.212 4.145 4.350 0.012 0.000 0.195 91 E C 1.821 178.456 176.600 0.058 0.000 0.992 91 E CA 1.382 57.810 56.400 0.046 0.000 0.804 91 E CB -0.340 29.383 29.700 0.038 0.000 0.741 91 E HN 0.426 nan 8.360 nan 0.000 0.458 92 A N 1.570 124.414 122.820 0.040 0.000 1.898 92 A HA -0.001 4.326 4.320 0.012 0.000 0.216 92 A C 2.567 180.158 177.584 0.013 0.000 1.181 92 A CA 1.535 53.583 52.037 0.018 0.000 0.620 92 A CB -1.302 17.668 19.000 -0.051 0.000 0.819 92 A HN 0.433 nan 8.150 nan 0.000 0.442 93 G N -0.476 108.341 108.800 0.029 0.000 2.422 93 G HA2 -0.211 3.756 3.960 0.012 0.000 0.218 93 G HA3 -0.211 3.756 3.960 0.012 0.000 0.218 93 G C 1.429 176.314 174.900 -0.025 0.000 1.146 93 G CA 1.012 46.061 45.100 -0.085 0.000 0.769 93 G HN 0.663 nan 8.290 nan 0.000 0.547 94 E N 0.398 120.617 120.200 0.032 0.000 2.072 94 E HA 0.017 4.374 4.350 0.012 0.000 0.191 94 E C 2.859 179.520 176.600 0.101 0.000 0.985 94 E CA 0.695 57.130 56.400 0.059 0.000 0.801 94 E CB -0.143 29.591 29.700 0.057 0.000 0.750 94 E HN 0.406 nan 8.360 nan 0.000 0.452 95 A N 0.695 123.606 122.820 0.151 0.000 2.119 95 A HA -0.123 4.205 4.320 0.012 0.000 0.217 95 A C 0.743 178.516 177.584 0.314 0.000 1.153 95 A CA 0.283 52.460 52.037 0.232 0.000 0.692 95 A CB -0.451 18.744 19.000 0.326 0.000 0.799 95 A HN 0.319 nan 8.150 nan 0.000 0.458 96 Y N 1.765 122.100 120.300 0.059 0.000 2.436 96 Y HA 0.282 4.839 4.550 0.011 0.000 0.336 96 Y C 0.276 176.181 175.900 0.008 0.000 1.049 96 Y CA -0.189 57.895 58.100 -0.026 0.000 1.294 96 Y CB 0.655 38.915 38.460 -0.333 0.000 1.179 96 Y HN 0.407 nan 8.280 nan 0.000 0.520 97 D N 4.391 124.627 120.400 -0.273 0.000 2.620 97 D HA 0.028 4.676 4.640 0.012 0.000 0.260 97 D C -0.605 175.647 176.300 -0.081 0.000 1.367 97 D CA -0.302 53.622 54.000 -0.126 0.000 0.805 97 D CB -0.576 40.258 40.800 0.056 0.000 1.096 97 D HN 0.148 nan 8.370 nan 0.000 0.488 98 F N 1.291 120.885 119.950 -0.594 0.000 2.553 98 F HA 0.318 4.852 4.527 0.012 0.000 0.356 98 F C 1.137 176.795 175.800 -0.238 0.000 1.142 98 F CA -1.007 56.787 58.000 -0.344 0.000 1.322 98 F CB 0.446 39.212 39.000 -0.391 0.000 1.126 98 F HN -0.099 nan 8.300 nan 0.000 0.599 99 I N 4.852 125.429 120.570 0.011 0.000 2.433 99 I HA 0.218 4.395 4.170 0.012 0.000 0.292 99 I C -1.925 174.198 176.117 0.010 0.000 1.001 99 I CA -1.680 59.574 61.300 -0.078 0.000 1.119 99 I CB 2.368 40.207 38.000 -0.268 0.000 1.289 99 I HN 0.322 nan 8.210 nan 0.000 0.438 100 P HA 0.046 nan 4.420 nan 0.000 0.261 100 P C 1.202 178.628 177.300 0.210 0.000 1.268 100 P CA 0.192 63.351 63.100 0.098 0.000 0.833 100 P CB 0.103 31.888 31.700 0.141 0.000 1.231 101 T N -2.885 111.787 114.554 0.197 0.000 2.929 101 T HA -0.121 4.236 4.350 0.012 0.000 0.271 101 T C 1.613 176.355 174.700 0.070 0.000 1.085 101 T CA 1.577 63.769 62.100 0.153 0.000 1.125 101 T CB -0.996 68.046 68.868 0.291 0.000 0.874 101 T HN 0.193 nan 8.240 nan 0.000 0.494 102 S N -0.320 115.421 115.700 0.069 0.000 2.556 102 S HA 0.430 4.908 4.470 0.012 0.000 0.216 102 S C 0.412 175.030 174.600 0.031 0.000 0.970 102 S CA -0.732 57.487 58.200 0.032 0.000 0.912 102 S CB -0.434 62.737 63.200 -0.048 0.000 0.790 102 S HN 0.426 nan 8.310 nan 0.000 0.504 103 M N 2.105 121.755 119.600 0.083 0.000 2.472 103 M HA 0.477 4.964 4.480 0.012 0.000 0.331 103 M C -1.058 175.353 176.300 0.185 0.000 1.170 103 M CA -0.606 54.748 55.300 0.089 0.000 1.009 103 M CB 1.478 34.095 32.600 0.029 0.000 1.672 103 M HN 0.045 nan 8.290 nan 0.000 0.453 104 D N 2.315 122.786 120.400 0.117 0.000 2.268 104 D HA 0.469 5.116 4.640 0.012 0.000 0.249 104 D C -2.402 173.859 176.300 -0.064 0.000 1.008 104 D CA -1.238 52.819 54.000 0.096 0.000 0.939 104 D CB 1.155 42.037 40.800 0.137 0.000 1.170 104 D HN 0.165 nan 8.370 nan 0.000 0.468 105 P HA 0.105 nan 4.420 nan 0.000 0.269 105 P C -1.944 175.216 177.300 -0.233 0.000 1.215 105 P CA -0.846 62.012 63.100 -0.404 0.000 0.780 105 P CB 0.080 31.269 31.700 -0.850 0.000 0.898 106 P HA -0.046 nan 4.420 nan 0.000 0.227 106 P C 1.366 178.644 177.300 -0.036 0.000 1.161 106 P CA 0.936 63.987 63.100 -0.082 0.000 0.788 106 P CB 0.027 31.716 31.700 -0.019 0.000 0.822 107 E N 0.278 120.487 120.200 0.014 0.000 2.110 107 E HA -0.248 4.109 4.350 0.012 0.000 0.193 107 E C 2.067 178.774 176.600 0.177 0.000 0.988 107 E CA 0.788 57.248 56.400 0.101 0.000 0.804 107 E CB -0.184 29.596 29.700 0.132 0.000 0.745 107 E HN 0.184 nan 8.360 nan 0.000 0.458 108 Q N 0.797 120.649 119.800 0.087 0.000 2.181 108 Q HA -0.232 4.116 4.340 0.012 0.000 0.205 108 Q C 2.035 178.077 176.000 0.070 0.000 0.980 108 Q CA 1.292 57.150 55.803 0.092 0.000 0.862 108 Q CB -0.038 28.663 28.738 -0.062 0.000 0.905 108 Q HN 0.274 nan 8.270 nan 0.000 0.429 109 R N -0.098 120.388 120.500 -0.023 0.000 2.112 109 R HA -0.202 4.145 4.340 0.012 0.000 0.242 109 R C 2.375 178.652 176.300 -0.037 0.000 1.137 109 R CA 2.159 58.225 56.100 -0.056 0.000 0.944 109 R CB -0.260 29.993 30.300 -0.078 0.000 0.857 109 R HN 0.465 nan 8.270 nan 0.000 0.435 110 Q N -0.892 118.871 119.800 -0.061 0.000 2.331 110 Q HA -0.029 4.318 4.340 0.012 0.000 0.203 110 Q C 1.851 177.751 176.000 -0.167 0.000 0.944 110 Q CA 0.722 56.441 55.803 -0.140 0.000 0.892 110 Q CB 0.116 28.722 28.738 -0.219 0.000 0.983 110 Q HN 0.268 nan 8.270 nan 0.000 0.482 111 F N 0.865 120.795 119.950 -0.033 0.000 2.146 111 F HA -0.147 4.387 4.527 0.011 0.000 0.298 111 F C 2.530 178.318 175.800 -0.021 0.000 1.096 111 F CA 1.224 59.211 58.000 -0.021 0.000 1.275 111 F CB -0.211 38.783 39.000 -0.010 0.000 1.008 111 F HN -0.002 nan 8.300 nan 0.000 0.480 112 R N 0.618 121.208 120.500 0.150 0.000 2.083 112 R HA -0.183 4.165 4.340 0.012 0.000 0.237 112 R C 2.358 178.675 176.300 0.028 0.000 1.137 112 R CA 1.420 57.558 56.100 0.063 0.000 0.951 112 R CB -0.566 29.733 30.300 -0.002 0.000 0.851 112 R HN 0.250 nan 8.270 nan 0.000 0.434 113 A N 1.120 123.939 122.820 -0.002 0.000 1.908 113 A HA -0.197 4.130 4.320 0.012 0.000 0.218 113 A C 2.039 179.616 177.584 -0.013 0.000 1.181 113 A CA 1.481 53.506 52.037 -0.020 0.000 0.627 113 A CB -0.614 18.358 19.000 -0.045 0.000 0.818 113 A HN 0.415 nan 8.150 nan 0.000 0.445 114 L N -0.429 120.788 121.223 -0.010 0.000 2.027 114 L HA 0.042 4.389 4.340 0.012 0.000 0.206 114 L C 2.657 179.541 176.870 0.023 0.000 1.074 114 L CA 2.145 56.983 54.840 -0.003 0.000 0.745 114 L CB -0.880 41.173 42.059 -0.009 0.000 0.898 114 L HN 0.321 nan 8.230 nan 0.000 0.433 115 A N -0.407 122.443 122.820 0.050 0.000 1.978 115 A HA -0.285 4.043 4.320 0.012 0.000 0.220 115 A C 2.165 179.769 177.584 0.032 0.000 1.170 115 A CA 1.907 53.975 52.037 0.050 0.000 0.636 115 A CB -1.048 17.992 19.000 0.068 0.000 0.810 115 A HN 0.629 nan 8.150 nan 0.000 0.448 116 N N -0.237 118.477 118.700 0.023 0.000 2.309 116 N HA -0.150 4.598 4.740 0.012 0.000 0.182 116 N C 1.797 177.313 175.510 0.010 0.000 1.018 116 N CA 1.474 54.534 53.050 0.017 0.000 0.876 116 N CB -0.298 38.196 38.487 0.010 0.000 0.972 116 N HN 0.641 nan 8.380 nan 0.000 0.434 117 Q N -0.691 119.110 119.800 0.003 0.000 2.226 117 Q HA -0.085 4.263 4.340 0.012 0.000 0.204 117 Q C 1.731 177.728 176.000 -0.005 0.000 0.975 117 Q CA 1.533 57.333 55.803 -0.005 0.000 0.866 117 Q CB 0.138 28.869 28.738 -0.011 0.000 0.915 117 Q HN 0.499 nan 8.270 nan 0.000 0.440 118 V N -3.309 116.606 119.914 0.002 0.000 3.565 118 V HA 0.081 4.208 4.120 0.012 0.000 0.260 118 V C 1.522 177.617 176.094 0.003 0.000 1.231 118 V CA 0.509 62.807 62.300 -0.003 0.000 1.100 118 V CB 0.541 32.360 31.823 -0.006 0.000 0.807 118 V HN 0.220 nan 8.190 nan 0.000 0.454 119 V N -2.330 117.593 119.914 0.017 0.000 3.398 119 V HA 0.689 4.816 4.120 0.012 0.000 0.298 119 V C 1.162 177.277 176.094 0.033 0.000 1.496 119 V CA 0.297 62.611 62.300 0.023 0.000 1.044 119 V CB -0.574 31.268 31.823 0.032 0.000 0.880 119 V HN 0.434 nan 8.190 nan 0.000 0.443 120 G N -0.093 108.727 108.800 0.033 0.000 2.683 120 G HA2 0.291 4.259 3.960 0.012 0.000 0.260 120 G HA3 0.291 4.259 3.960 0.012 0.000 0.260 120 G C 0.556 175.479 174.900 0.038 0.000 1.238 120 G CA 0.270 45.405 45.100 0.057 0.000 0.934 120 G HN 0.177 nan 8.290 nan 0.000 0.534 121 M N 0.779 120.379 119.600 -0.000 0.000 2.088 121 M HA -0.062 4.425 4.480 0.012 0.000 0.256 121 M C -0.194 176.072 176.300 -0.058 0.000 1.071 121 M CA 2.083 57.324 55.300 -0.099 0.000 1.097 121 M CB -1.062 31.381 32.600 -0.263 0.000 1.315 121 M HN 0.331 nan 8.290 nan 0.000 0.406 122 P HA -0.094 nan 4.420 nan 0.000 0.218 122 P C 1.725 179.012 177.300 -0.022 0.000 1.149 122 P CA 1.208 64.287 63.100 -0.034 0.000 0.817 122 P CB -0.211 31.471 31.700 -0.031 0.000 0.785 123 V N -0.478 119.427 119.914 -0.016 0.000 2.343 123 V HA -0.191 3.936 4.120 0.012 0.000 0.247 123 V C 2.471 178.562 176.094 -0.006 0.000 1.051 123 V CA 1.663 63.956 62.300 -0.012 0.000 1.036 123 V CB -1.212 30.605 31.823 -0.010 0.000 0.654 123 V HN -0.024 nan 8.190 nan 0.000 0.451 124 V N 0.252 120.167 119.914 0.002 0.000 2.343 124 V HA -0.256 3.871 4.120 0.012 0.000 0.247 124 V C 2.298 178.397 176.094 0.008 0.000 1.051 124 V CA 2.172 64.480 62.300 0.013 0.000 1.036 124 V CB -0.759 31.084 31.823 0.034 0.000 0.654 124 V HN 0.533 nan 8.190 nan 0.000 0.451 125 D N -0.022 120.376 120.400 -0.005 0.000 2.149 125 D HA -0.198 4.449 4.640 0.012 0.000 0.198 125 D C 2.159 178.460 176.300 0.001 0.000 0.990 125 D CA 1.486 55.484 54.000 -0.003 0.000 0.839 125 D CB -0.178 40.613 40.800 -0.015 0.000 0.948 125 D HN 0.422 nan 8.370 nan 0.000 0.460 126 K N 0.226 120.624 120.400 -0.003 0.000 2.148 126 K HA 0.019 4.347 4.320 0.012 0.000 0.204 126 K C 1.998 178.599 176.600 0.001 0.000 1.050 126 K CA 0.487 56.772 56.287 -0.003 0.000 0.942 126 K CB -0.040 32.455 32.500 -0.010 0.000 0.724 126 K HN 0.070 nan 8.250 nan 0.000 0.446 127 L N 0.534 121.759 121.223 0.003 0.000 2.492 127 L HA -0.022 4.325 4.340 0.012 0.000 0.223 127 L C 2.026 178.910 176.870 0.024 0.000 1.132 127 L CA 0.350 55.193 54.840 0.006 0.000 0.850 127 L CB -0.165 41.892 42.059 -0.003 0.000 0.966 127 L HN 0.274 nan 8.230 nan 0.000 0.454 128 E N 1.212 121.431 120.200 0.031 0.000 2.068 128 E HA -0.308 4.050 4.350 0.012 0.000 0.207 128 E C 1.728 178.364 176.600 0.060 0.000 1.032 128 E CA 2.335 58.765 56.400 0.050 0.000 0.839 128 E CB -0.055 29.671 29.700 0.042 0.000 0.758 128 E HN 0.377 nan 8.360 nan 0.000 0.457 129 N N -0.586 118.141 118.700 0.045 0.000 2.188 129 N HA -0.074 4.674 4.740 0.012 0.000 0.184 129 N C 1.659 177.202 175.510 0.055 0.000 1.018 129 N CA 1.113 54.192 53.050 0.048 0.000 0.858 129 N CB 0.001 38.508 38.487 0.033 0.000 0.989 129 N HN 0.061 nan 8.380 nan 0.000 0.426 130 R N 0.496 121.022 120.500 0.044 0.000 2.120 130 R HA -0.003 4.344 4.340 0.012 0.000 0.234 130 R C 2.025 178.370 176.300 0.075 0.000 1.123 130 R CA 0.708 56.835 56.100 0.045 0.000 0.975 130 R CB -0.705 29.606 30.300 0.019 0.000 0.866 130 R HN 0.389 nan 8.270 nan 0.000 0.446 131 I N 0.810 121.433 120.570 0.088 0.000 2.179 131 I HA -0.287 3.890 4.170 0.012 0.000 0.242 131 I C 2.870 179.139 176.117 0.254 0.000 1.088 131 I CA 1.205 62.602 61.300 0.161 0.000 1.357 131 I CB -0.364 37.726 38.000 0.150 0.000 1.051 131 I HN 0.146 nan 8.210 nan 0.000 0.409 132 Q N 1.289 121.194 119.800 0.174 0.000 2.084 132 Q HA -0.247 4.100 4.340 0.012 0.000 0.202 132 Q C 1.974 178.053 176.000 0.132 0.000 0.978 132 Q CA 1.881 57.776 55.803 0.152 0.000 0.844 132 Q CB -0.061 28.739 28.738 0.103 0.000 0.898 132 Q HN 0.566 nan 8.270 nan 0.000 0.426 133 E N 0.275 120.539 120.200 0.107 0.000 2.077 133 E HA -0.194 4.163 4.350 0.012 0.000 0.193 133 E C 2.040 178.701 176.600 0.102 0.000 0.989 133 E CA 1.084 57.534 56.400 0.083 0.000 0.800 133 E CB -0.160 29.576 29.700 0.060 0.000 0.746 133 E HN 0.185 nan 8.360 nan 0.000 0.452 134 L N 1.035 122.345 121.223 0.145 0.000 2.017 134 L HA -0.102 4.245 4.340 0.012 0.000 0.208 134 L C 2.208 179.190 176.870 0.188 0.000 1.073 134 L CA 2.117 57.062 54.840 0.174 0.000 0.745 134 L CB -0.784 41.410 42.059 0.225 0.000 0.894 134 L HN 0.047 nan 8.230 nan 0.000 0.432 135 A N -1.113 121.852 122.820 0.241 0.000 1.908 135 A HA -0.252 4.075 4.320 0.012 0.000 0.218 135 A C 2.408 180.076 177.584 0.141 0.000 1.181 135 A CA 1.947 54.061 52.037 0.128 0.000 0.627 135 A CB -1.546 17.519 19.000 0.108 0.000 0.818 135 A HN 0.655 nan 8.150 nan 0.000 0.445 136 C N -0.808 118.550 119.300 0.096 0.000 2.429 136 C HA -0.071 4.396 4.460 0.012 0.000 0.277 136 C C 3.287 178.299 174.990 0.037 0.000 1.262 136 C CA 1.324 60.370 59.018 0.047 0.000 1.733 136 C CB -1.298 26.464 27.740 0.036 0.000 2.010 136 C HN 0.630 nan 8.230 nan 0.000 0.483 137 S N 1.062 116.793 115.700 0.052 0.000 2.359 137 S HA -0.123 4.354 4.470 0.012 0.000 0.224 137 S C 1.723 176.349 174.600 0.044 0.000 1.035 137 S CA 1.376 59.600 58.200 0.040 0.000 1.018 137 S CB -0.413 62.813 63.200 0.043 0.000 0.876 137 S HN 0.554 nan 8.310 nan 0.000 0.448 138 L N 0.812 122.073 121.223 0.062 0.000 2.017 138 L HA -0.105 4.243 4.340 0.012 0.000 0.208 138 L C 2.250 179.194 176.870 0.122 0.000 1.073 138 L CA 1.240 56.129 54.840 0.082 0.000 0.745 138 L CB -0.554 41.512 42.059 0.012 0.000 0.894 138 L HN 0.291 nan 8.230 nan 0.000 0.432 139 I N -0.409 120.225 120.570 0.107 0.000 2.252 139 I HA -0.250 3.927 4.170 0.012 0.000 0.245 139 I C 2.584 178.619 176.117 -0.138 0.000 1.102 139 I CA 0.986 62.230 61.300 -0.093 0.000 1.385 139 I CB -0.167 37.696 38.000 -0.229 0.000 1.064 139 I HN 0.250 nan 8.210 nan 0.000 0.414 140 E N 1.086 121.245 120.200 -0.068 0.000 2.150 140 E HA -0.196 4.161 4.350 0.012 0.000 0.193 140 E C 2.207 178.801 176.600 -0.010 0.000 0.985 140 E CA 1.653 58.022 56.400 -0.053 0.000 0.814 140 E CB -0.165 29.517 29.700 -0.030 0.000 0.752 140 E HN 0.479 nan 8.360 nan 0.000 0.466 141 S N -0.659 115.050 115.700 0.015 0.000 2.428 141 S HA -0.058 4.419 4.470 0.012 0.000 0.230 141 S C 1.935 176.575 174.600 0.066 0.000 1.014 141 S CA 0.862 59.085 58.200 0.038 0.000 0.957 141 S CB -0.294 62.931 63.200 0.042 0.000 0.784 141 S HN 0.332 nan 8.310 nan 0.000 0.499 142 L N 0.427 121.699 121.223 0.081 0.000 2.253 142 L HA 0.246 4.593 4.340 0.012 0.000 0.205 142 L C 2.992 180.028 176.870 0.276 0.000 1.078 142 L CA 0.504 55.452 54.840 0.180 0.000 0.805 142 L CB -0.474 41.721 42.059 0.227 0.000 0.963 142 L HN 0.270 nan 8.230 nan 0.000 0.459 143 R N 1.117 121.681 120.500 0.107 0.000 2.112 143 R HA -0.185 4.162 4.340 0.012 0.000 0.242 143 R C -0.605 175.895 176.300 0.333 0.000 1.137 143 R CA 2.164 58.343 56.100 0.131 0.000 0.944 143 R CB -1.176 29.066 30.300 -0.097 0.000 0.857 143 R HN 0.247 nan 8.270 nan 0.000 0.435 144 P HA -0.072 nan 4.420 nan 0.000 0.233 144 P C 0.367 177.712 177.300 0.074 0.000 1.167 144 P CA 1.108 64.281 63.100 0.121 0.000 0.770 144 P CB -0.030 31.706 31.700 0.060 0.000 0.837 145 Q N -0.568 119.274 119.800 0.070 0.000 2.297 145 Q HA 0.083 4.430 4.340 0.012 0.000 0.204 145 Q C 1.614 177.439 176.000 -0.291 0.000 0.962 145 Q CA 0.861 56.626 55.803 -0.063 0.000 0.879 145 Q CB -0.554 28.169 28.738 -0.025 0.000 0.947 145 Q HN 0.252 nan 8.270 nan 0.000 0.462 146 G N 1.772 110.229 108.800 -0.571 0.000 2.166 146 G HA2 -0.325 3.642 3.960 0.012 0.000 0.260 146 G HA3 -0.325 3.642 3.960 0.012 0.000 0.260 146 G C -0.029 173.908 174.900 -1.604 0.000 0.986 146 G CA 0.940 45.227 45.100 -1.355 0.000 0.683 146 G HN 0.499 nan 8.290 nan 0.000 0.527 147 Q N -1.647 117.367 119.800 -1.310 0.000 2.578 147 Q HA 0.664 5.011 4.340 0.012 0.000 0.284 147 Q C -0.362 175.504 176.000 -0.223 0.000 0.960 147 Q CA -0.739 54.611 55.803 -0.756 0.000 0.809 147 Q CB 1.775 30.312 28.738 -0.336 0.000 1.462 147 Q HN 1.356 nan 8.270 nan 0.000 0.392 148 C N -0.357 119.004 119.300 0.101 0.000 3.312 148 C HA 0.661 5.128 4.460 0.012 0.000 0.332 148 C C -1.440 173.673 174.990 0.206 0.000 1.340 148 C CA -0.945 58.214 59.018 0.235 0.000 1.265 148 C CB 1.392 29.402 27.740 0.449 0.000 1.563 148 C HN 0.975 nan 8.230 nan 0.000 0.471 149 N N 0.821 119.613 118.700 0.154 0.000 2.469 149 N HA 0.243 4.990 4.740 0.012 0.000 0.239 149 N C 0.149 175.751 175.510 0.154 0.000 1.053 149 N CA -1.116 52.016 53.050 0.136 0.000 0.937 149 N CB 0.249 38.782 38.487 0.077 0.000 1.163 149 N HN 0.783 nan 8.380 nan 0.000 0.509 150 F N 3.482 123.461 119.950 0.049 0.000 2.126 150 F HA -0.195 4.339 4.527 0.012 0.000 0.299 150 F C 1.757 177.569 175.800 0.021 0.000 1.096 150 F CA 1.657 59.659 58.000 0.003 0.000 1.255 150 F CB -0.276 38.605 39.000 -0.199 0.000 0.997 150 F HN 0.412 nan 8.300 nan 0.000 0.479 151 T N -0.399 114.180 114.554 0.042 0.000 2.684 151 T HA -0.246 4.111 4.350 0.012 0.000 0.267 151 T C 1.689 176.327 174.700 -0.104 0.000 1.036 151 T CA 1.797 63.871 62.100 -0.043 0.000 1.148 151 T CB -0.343 68.531 68.868 0.011 0.000 0.863 151 T HN 0.319 nan 8.240 nan 0.000 0.436 152 E N 0.948 121.119 120.200 -0.049 0.000 2.112 152 E HA -0.090 4.267 4.350 0.012 0.000 0.190 152 E C 1.566 178.137 176.600 -0.048 0.000 0.979 152 E CA 1.040 57.419 56.400 -0.036 0.000 0.814 152 E CB -0.071 29.629 29.700 -0.000 0.000 0.762 152 E HN 0.311 nan 8.360 nan 0.000 0.460 153 D N -1.480 118.897 120.400 -0.039 0.000 2.346 153 D HA -0.016 4.631 4.640 0.012 0.000 0.206 153 D C 0.820 177.113 176.300 -0.010 0.000 1.001 153 D CA 0.534 54.538 54.000 0.007 0.000 0.871 153 D CB 0.298 41.153 40.800 0.091 0.000 0.943 153 D HN 0.260 nan 8.370 nan 0.000 0.518 154 Y N 0.448 120.558 120.300 -0.317 0.000 2.846 154 Y HA 0.370 4.927 4.550 0.011 0.000 0.258 154 Y C 2.079 177.730 175.900 -0.415 0.000 1.077 154 Y CA 0.656 58.519 58.100 -0.396 0.000 1.270 154 Y CB -0.129 37.986 38.460 -0.575 0.000 1.476 154 Y HN -0.136 nan 8.280 nan 0.000 0.460 155 A N 0.892 123.437 122.820 -0.458 0.000 1.873 155 A HA -0.121 4.207 4.320 0.012 0.000 0.215 155 A C 1.962 179.499 177.584 -0.079 0.000 1.186 155 A CA 1.919 53.836 52.037 -0.201 0.000 0.616 155 A CB -0.581 18.314 19.000 -0.174 0.000 0.823 155 A HN 0.579 nan 8.150 nan 0.000 0.442 156 E N -0.588 119.551 120.200 -0.101 0.000 2.047 156 E HA -0.129 4.228 4.350 0.012 0.000 0.191 156 E C -0.481 176.093 176.600 -0.044 0.000 0.987 156 E CA 1.457 57.826 56.400 -0.052 0.000 0.799 156 E CB -1.222 28.449 29.700 -0.048 0.000 0.752 156 E HN 0.477 nan 8.360 nan 0.000 0.449 157 P HA -0.100 nan 4.420 nan 0.000 0.223 157 P C 1.134 178.423 177.300 -0.018 0.000 1.151 157 P CA 0.721 63.791 63.100 -0.049 0.000 0.787 157 P CB -0.115 31.545 31.700 -0.067 0.000 0.788 158 F N 2.535 122.333 119.950 -0.252 0.000 2.053 158 F HA 0.022 4.556 4.527 0.011 0.000 0.292 158 F C -0.910 174.836 175.800 -0.089 0.000 1.125 158 F CA 1.035 58.882 58.000 -0.254 0.000 1.193 158 F CB -1.708 37.027 39.000 -0.441 0.000 0.996 158 F HN -0.048 nan 8.300 nan 0.000 0.470 159 P HA -0.130 nan 4.420 nan 0.000 0.219 159 P C 2.090 179.341 177.300 -0.082 0.000 1.150 159 P CA 1.267 64.243 63.100 -0.208 0.000 0.814 159 P CB -0.217 31.444 31.700 -0.065 0.000 0.787 160 I N 0.371 120.921 120.570 -0.034 0.000 2.286 160 I HA -0.178 3.999 4.170 0.012 0.000 0.248 160 I C 2.499 178.649 176.117 0.056 0.000 1.115 160 I CA 1.446 62.760 61.300 0.023 0.000 1.392 160 I CB -0.490 37.510 38.000 -0.001 0.000 1.065 160 I HN -0.254 nan 8.210 nan 0.000 0.418 161 R N -0.003 120.493 120.500 -0.007 0.000 2.092 161 R HA -0.081 4.266 4.340 0.012 0.000 0.231 161 R C 2.338 178.618 176.300 -0.034 0.000 1.119 161 R CA 1.798 57.893 56.100 -0.008 0.000 0.970 161 R CB -0.427 29.867 30.300 -0.010 0.000 0.864 161 R HN 0.384 nan 8.270 nan 0.000 0.440 162 I N -0.084 120.423 120.570 -0.105 0.000 2.226 162 I HA -0.299 3.878 4.170 0.012 0.000 0.245 162 I C 2.125 178.224 176.117 -0.030 0.000 1.100 162 I CA 1.221 62.452 61.300 -0.115 0.000 1.374 162 I CB -0.242 37.615 38.000 -0.237 0.000 1.057 162 I HN 0.095 nan 8.210 nan 0.000 0.413 163 F N 1.265 121.162 119.950 -0.088 0.000 2.134 163 F HA -0.279 4.255 4.527 0.011 0.000 0.299 163 F C 2.483 178.270 175.800 -0.023 0.000 1.097 163 F CA 1.628 59.600 58.000 -0.047 0.000 1.264 163 F CB -0.123 38.856 39.000 -0.035 0.000 1.001 163 F HN -0.053 nan 8.300 nan 0.000 0.479 164 M N -0.334 119.281 119.600 0.025 0.000 2.149 164 M HA -0.165 4.323 4.480 0.012 0.000 0.261 164 M C 2.253 178.475 176.300 -0.131 0.000 1.064 164 M CA 1.318 56.594 55.300 -0.039 0.000 1.102 164 M CB -1.687 30.943 32.600 0.050 0.000 1.369 164 M HN 0.365 nan 8.290 nan 0.000 0.408 165 L N 0.236 121.394 121.223 -0.110 0.000 2.027 165 L HA -0.117 4.230 4.340 0.012 0.000 0.206 165 L C 2.214 178.994 176.870 -0.150 0.000 1.074 165 L CA 1.439 56.219 54.840 -0.100 0.000 0.745 165 L CB -0.908 41.111 42.059 -0.067 0.000 0.898 165 L HN 0.133 nan 8.230 nan 0.000 0.433 166 L N 0.116 121.215 121.223 -0.208 0.000 2.012 166 L HA -0.127 4.221 4.340 0.012 0.000 0.210 166 L C 2.315 179.003 176.870 -0.304 0.000 1.073 166 L CA 2.193 56.891 54.840 -0.236 0.000 0.748 166 L CB -1.221 40.685 42.059 -0.255 0.000 0.891 166 L HN 0.398 nan 8.230 nan 0.000 0.431 167 A N -1.771 120.755 122.820 -0.490 0.000 2.275 167 A HA 0.433 4.760 4.320 0.012 0.000 0.212 167 A C 1.458 178.908 177.584 -0.223 0.000 1.201 167 A CA 0.508 52.275 52.037 -0.450 0.000 0.843 167 A CB -0.720 17.777 19.000 -0.839 0.000 0.873 167 A HN 0.628 nan 8.150 nan 0.000 0.492 168 G N -0.214 108.486 108.800 -0.168 0.000 2.323 168 G HA2 -0.219 3.748 3.960 0.012 0.000 0.292 168 G HA3 -0.219 3.748 3.960 0.012 0.000 0.292 168 G C -0.115 174.758 174.900 -0.046 0.000 1.040 168 G CA 0.623 45.671 45.100 -0.086 0.000 0.942 168 G HN 0.480 nan 8.290 nan 0.000 0.506 169 L N 0.555 121.759 121.223 -0.030 0.000 2.331 169 L HA 0.581 4.928 4.340 0.012 0.000 0.275 169 L C -1.525 175.378 176.870 0.056 0.000 1.022 169 L CA -2.464 52.405 54.840 0.049 0.000 0.812 169 L CB 1.762 43.904 42.059 0.138 0.000 1.257 169 L HN -0.006 nan 8.230 nan 0.000 0.435 170 P HA 0.055 nan 4.420 nan 0.000 0.275 170 P C 0.172 177.514 177.300 0.070 0.000 1.227 170 P CA -0.294 62.842 63.100 0.060 0.000 0.781 170 P CB 1.098 32.834 31.700 0.059 0.000 0.906 171 E N 1.693 121.922 120.200 0.048 0.000 2.147 171 E HA -0.271 4.086 4.350 0.012 0.000 0.199 171 E C 1.045 177.675 176.600 0.051 0.000 1.005 171 E CA 1.602 58.029 56.400 0.045 0.000 0.810 171 E CB 0.031 29.750 29.700 0.031 0.000 0.736 171 E HN 0.458 nan 8.360 nan 0.000 0.460 172 E N 0.474 120.705 120.200 0.051 0.000 2.267 172 E HA -0.172 4.185 4.350 0.012 0.000 0.197 172 E C 1.328 177.971 176.600 0.072 0.000 0.998 172 E CA 1.262 57.692 56.400 0.051 0.000 0.830 172 E CB 0.010 29.735 29.700 0.042 0.000 0.751 172 E HN 0.284 nan 8.360 nan 0.000 0.491 173 D N -0.369 120.093 120.400 0.103 0.000 2.355 173 D HA 0.024 4.672 4.640 0.012 0.000 0.218 173 D C 1.531 177.888 176.300 0.095 0.000 1.004 173 D CA 0.219 54.305 54.000 0.143 0.000 0.880 173 D CB 0.041 40.984 40.800 0.237 0.000 0.911 173 D HN 0.213 nan 8.370 nan 0.000 0.528 174 I N 1.486 122.098 120.570 0.071 0.000 2.118 174 I HA -0.233 3.944 4.170 0.012 0.000 0.241 174 I C -0.597 175.539 176.117 0.031 0.000 1.070 174 I CA 1.288 62.614 61.300 0.043 0.000 1.327 174 I CB -1.277 36.746 38.000 0.039 0.000 1.034 174 I HN 0.037 nan 8.210 nan 0.000 0.405 175 P HA -0.190 nan 4.420 nan 0.000 0.217 175 P C 1.453 178.806 177.300 0.087 0.000 1.150 175 P CA 1.641 64.773 63.100 0.053 0.000 0.832 175 P CB -0.118 31.609 31.700 0.045 0.000 0.787 176 H N -0.570 118.496 119.070 -0.007 0.000 2.357 176 H HA -0.082 4.481 4.556 0.012 0.000 0.301 176 H C 1.756 177.069 175.328 -0.025 0.000 1.082 176 H CA 1.260 57.310 56.048 0.003 0.000 1.342 176 H CB -0.902 28.851 29.762 -0.016 0.000 1.389 176 H HN -0.122 nan 8.280 nan 0.000 0.511 177 L N 0.851 121.946 121.223 -0.213 0.000 2.093 177 L HA -0.059 4.288 4.340 0.012 0.000 0.208 177 L C 2.346 179.085 176.870 -0.219 0.000 1.085 177 L CA 1.669 56.289 54.840 -0.366 0.000 0.755 177 L CB -0.743 41.115 42.059 -0.334 0.000 0.904 177 L HN 0.224 nan 8.230 nan 0.000 0.435 178 K N -1.409 118.929 120.400 -0.104 0.000 2.057 178 K HA -0.271 4.057 4.320 0.012 0.000 0.207 178 K C 2.298 178.867 176.600 -0.052 0.000 1.049 178 K CA 1.895 58.143 56.287 -0.065 0.000 0.931 178 K CB -0.446 32.044 32.500 -0.018 0.000 0.714 178 K HN 0.419 nan 8.250 nan 0.000 0.440 179 Y N 1.569 121.784 120.300 -0.141 0.000 2.165 179 Y HA -0.218 4.339 4.550 0.012 0.000 0.286 179 Y C 1.853 177.653 175.900 -0.166 0.000 1.155 179 Y CA 1.569 59.593 58.100 -0.128 0.000 1.164 179 Y CB -0.299 38.103 38.460 -0.097 0.000 0.978 179 Y HN -0.005 nan 8.280 nan 0.000 0.513 180 L N -0.263 120.739 121.223 -0.368 0.000 2.056 180 L HA -0.176 4.172 4.340 0.012 0.000 0.207 180 L C 2.705 179.383 176.870 -0.320 0.000 1.078 180 L CA 1.831 56.409 54.840 -0.437 0.000 0.749 180 L CB -1.100 40.741 42.059 -0.363 0.000 0.901 180 L HN 0.409 nan 8.230 nan 0.000 0.433 181 T N -3.781 110.631 114.554 -0.237 0.000 2.777 181 T HA -0.180 4.177 4.350 0.012 0.000 0.266 181 T C 1.528 176.145 174.700 -0.138 0.000 1.040 181 T CA 1.309 63.315 62.100 -0.158 0.000 1.141 181 T CB -0.402 68.383 68.868 -0.138 0.000 0.868 181 T HN 0.160 nan 8.240 nan 0.000 0.444 182 D N 1.552 121.860 120.400 -0.153 0.000 2.123 182 D HA -0.113 4.535 4.640 0.012 0.000 0.196 182 D C 2.477 178.684 176.300 -0.154 0.000 0.992 182 D CA 1.146 55.070 54.000 -0.126 0.000 0.833 182 D CB -0.432 40.308 40.800 -0.100 0.000 0.954 182 D HN 0.561 nan 8.370 nan 0.000 0.455 183 Q N -0.456 119.188 119.800 -0.261 0.000 2.152 183 Q HA -0.194 4.153 4.340 0.012 0.000 0.206 183 Q C 2.157 178.057 176.000 -0.167 0.000 0.985 183 Q CA 1.102 56.746 55.803 -0.265 0.000 0.863 183 Q CB -0.161 28.335 28.738 -0.403 0.000 0.904 183 Q HN 0.405 nan 8.270 nan 0.000 0.422 184 M N -0.017 119.501 119.600 -0.137 0.000 2.299 184 M HA -0.092 4.395 4.480 0.012 0.000 0.264 184 M C 2.037 178.345 176.300 0.013 0.000 1.095 184 M CA 1.776 57.045 55.300 -0.053 0.000 1.165 184 M CB 0.211 32.790 32.600 -0.035 0.000 1.349 184 M HN 0.184 nan 8.290 nan 0.000 0.446 185 T N -2.157 112.388 114.554 -0.014 0.000 3.057 185 T HA 0.196 4.553 4.350 0.012 0.000 0.254 185 T C 0.698 175.379 174.700 -0.031 0.000 1.094 185 T CA -0.046 62.044 62.100 -0.016 0.000 1.088 185 T CB -0.113 68.752 68.868 -0.005 0.000 0.934 185 T HN 0.359 nan 8.240 nan 0.000 0.497 186 R N 2.565 123.041 120.500 -0.041 0.000 2.983 186 R HA 0.365 4.713 4.340 0.012 0.000 0.300 186 R C -2.720 173.552 176.300 -0.046 0.000 1.367 186 R CA -1.597 54.482 56.100 -0.035 0.000 1.564 186 R CB 0.636 30.917 30.300 -0.032 0.000 1.314 186 R HN 0.382 nan 8.270 nan 0.000 0.622 187 P HA 0.018 nan 4.420 nan 0.000 0.271 187 P C -0.481 176.784 177.300 -0.058 0.000 1.216 187 P CA 0.002 63.065 63.100 -0.061 0.000 0.771 187 P CB 1.059 32.718 31.700 -0.069 0.000 0.864 188 D N 0.762 121.130 120.400 -0.052 0.000 2.395 188 D HA 0.146 4.793 4.640 0.012 0.000 0.213 188 D C 1.301 177.574 176.300 -0.045 0.000 1.110 188 D CA 0.094 54.069 54.000 -0.042 0.000 0.835 188 D CB -0.298 40.484 40.800 -0.029 0.000 0.965 188 D HN 0.609 nan 8.370 nan 0.000 0.505 189 G N 0.493 109.261 108.800 -0.054 0.000 2.175 189 G HA2 -0.352 3.615 3.960 0.012 0.000 0.244 189 G HA3 -0.352 3.615 3.960 0.012 0.000 0.244 189 G C 1.161 176.039 174.900 -0.037 0.000 0.982 189 G CA 0.687 45.757 45.100 -0.051 0.000 0.641 189 G HN 0.668 nan 8.290 nan 0.000 0.527 190 S N -0.561 115.118 115.700 -0.034 0.000 2.501 190 S HA 0.497 4.974 4.470 0.012 0.000 0.220 190 S C 1.026 175.609 174.600 -0.028 0.000 0.997 190 S CA 1.177 59.362 58.200 -0.025 0.000 0.919 190 S CB -0.131 63.059 63.200 -0.018 0.000 0.778 190 S HN 1.635 nan 8.310 nan 0.000 0.523 191 M N 0.910 120.486 119.600 -0.039 0.000 2.470 191 M HA 0.513 5.000 4.480 0.012 0.000 0.285 191 M C -0.709 175.566 176.300 -0.042 0.000 1.213 191 M CA -0.750 54.523 55.300 -0.044 0.000 0.901 191 M CB 1.685 34.248 32.600 -0.061 0.000 1.718 191 M HN 0.066 nan 8.290 nan 0.000 0.469 192 T N -0.484 114.051 114.554 -0.032 0.000 2.813 192 T HA 0.225 4.582 4.350 0.012 0.000 0.297 192 T C 0.650 175.348 174.700 -0.004 0.000 1.036 192 T CA -0.256 61.843 62.100 -0.002 0.000 1.044 192 T CB 0.721 69.596 68.868 0.012 0.000 0.993 192 T HN 0.696 nan 8.240 nan 0.000 0.535 193 F N 1.612 121.520 119.950 -0.070 0.000 2.120 193 F HA -0.058 4.477 4.527 0.012 0.000 0.300 193 F C 2.543 178.295 175.800 -0.080 0.000 1.095 193 F CA 1.919 59.871 58.000 -0.079 0.000 1.249 193 F CB -0.862 38.103 39.000 -0.057 0.000 0.995 193 F HN 0.747 nan 8.300 nan 0.000 0.480 194 A N 0.041 122.794 122.820 -0.112 0.000 1.908 194 A HA -0.230 4.097 4.320 0.012 0.000 0.218 194 A C 2.076 179.512 177.584 -0.247 0.000 1.181 194 A CA 1.999 53.926 52.037 -0.183 0.000 0.627 194 A CB -0.894 18.104 19.000 -0.004 0.000 0.818 194 A HN 0.596 nan 8.150 nan 0.000 0.445 195 E N -0.395 119.700 120.200 -0.174 0.000 2.072 195 E HA -0.074 4.283 4.350 0.012 0.000 0.191 195 E C 2.318 178.789 176.600 -0.215 0.000 0.985 195 E CA 0.942 57.254 56.400 -0.147 0.000 0.801 195 E CB -0.284 29.364 29.700 -0.088 0.000 0.750 195 E HN 0.616 nan 8.360 nan 0.000 0.452 196 A N 1.597 124.243 122.820 -0.291 0.000 1.972 196 A HA -0.215 4.112 4.320 0.012 0.000 0.219 196 A C 2.050 179.378 177.584 -0.426 0.000 1.169 196 A CA 1.450 53.294 52.037 -0.321 0.000 0.635 196 A CB -0.335 18.485 19.000 -0.300 0.000 0.810 196 A HN 0.054 nan 8.150 nan 0.000 0.446 197 K N -0.459 119.539 120.400 -0.670 0.000 2.057 197 K HA -0.159 4.168 4.320 0.012 0.000 0.206 197 K C 1.741 177.988 176.600 -0.589 0.000 1.050 197 K CA 1.406 57.219 56.287 -0.789 0.000 0.935 197 K CB -0.108 31.756 32.500 -1.060 0.000 0.715 197 K HN 0.360 nan 8.250 nan 0.000 0.439 198 E N 0.523 120.518 120.200 -0.341 0.000 2.077 198 E HA -0.165 4.192 4.350 0.012 0.000 0.193 198 E C 1.952 178.530 176.600 -0.038 0.000 0.989 198 E CA 1.206 57.537 56.400 -0.116 0.000 0.800 198 E CB -0.293 29.379 29.700 -0.047 0.000 0.746 198 E HN 0.425 nan 8.360 nan 0.000 0.452 199 A N 1.287 124.060 122.820 -0.078 0.000 1.902 199 A HA -0.160 4.168 4.320 0.012 0.000 0.217 199 A C 2.255 179.851 177.584 0.020 0.000 1.181 199 A CA 1.277 53.308 52.037 -0.010 0.000 0.623 199 A CB -0.594 18.381 19.000 -0.042 0.000 0.818 199 A HN 0.236 nan 8.150 nan 0.000 0.443 200 L N -1.404 119.781 121.223 -0.063 0.000 2.017 200 L HA -0.145 4.202 4.340 0.012 0.000 0.208 200 L C 2.289 179.289 176.870 0.217 0.000 1.073 200 L CA 1.907 56.754 54.840 0.012 0.000 0.745 200 L CB -0.918 41.100 42.059 -0.069 0.000 0.894 200 L HN 0.464 nan 8.230 nan 0.000 0.432 201 Y N 0.234 120.579 120.300 0.075 0.000 2.256 201 Y HA -0.216 4.341 4.550 0.012 0.000 0.288 201 Y C 2.495 178.449 175.900 0.089 0.000 1.155 201 Y CA 1.022 59.171 58.100 0.081 0.000 1.203 201 Y CB -1.139 37.355 38.460 0.056 0.000 0.980 201 Y HN 0.328 nan 8.280 nan 0.000 0.530 202 D N -1.320 119.231 120.400 0.251 0.000 2.182 202 D HA -0.224 4.423 4.640 0.012 0.000 0.201 202 D C 2.045 178.470 176.300 0.208 0.000 0.986 202 D CA 1.203 55.315 54.000 0.187 0.000 0.847 202 D CB -0.654 40.242 40.800 0.159 0.000 0.942 202 D HN 0.442 nan 8.370 nan 0.000 0.467 203 Y N 1.007 121.394 120.300 0.144 0.000 2.220 203 Y HA -0.065 4.492 4.550 0.012 0.000 0.291 203 Y C 2.096 178.070 175.900 0.122 0.000 1.129 203 Y CA 1.210 59.402 58.100 0.153 0.000 1.161 203 Y CB -0.239 38.321 38.460 0.166 0.000 0.997 203 Y HN -0.107 nan 8.280 nan 0.000 0.522 204 L N -0.508 120.811 121.223 0.160 0.000 2.179 204 L HA -0.141 4.207 4.340 0.012 0.000 0.208 204 L C 2.320 179.171 176.870 -0.031 0.000 1.096 204 L CA 0.797 55.668 54.840 0.053 0.000 0.779 204 L CB -0.419 41.748 42.059 0.180 0.000 0.922 204 L HN 0.276 nan 8.230 nan 0.000 0.443 205 I N 0.360 120.930 120.570 -0.000 0.000 2.127 205 I HA -0.231 3.947 4.170 0.012 0.000 0.241 205 I C -0.293 175.794 176.117 -0.049 0.000 1.075 205 I CA 1.665 62.948 61.300 -0.027 0.000 1.334 205 I CB -1.295 36.705 38.000 -0.001 0.000 1.040 205 I HN 0.222 nan 8.210 nan 0.000 0.405 206 P HA -0.113 nan 4.420 nan 0.000 0.218 206 P C 1.786 179.033 177.300 -0.088 0.000 1.149 206 P CA 1.483 64.541 63.100 -0.070 0.000 0.817 206 P CB -0.030 31.624 31.700 -0.076 0.000 0.785 207 I N -1.341 119.149 120.570 -0.132 0.000 2.315 207 I HA -0.191 3.986 4.170 0.012 0.000 0.248 207 I C 2.238 178.314 176.117 -0.068 0.000 1.117 207 I CA 1.211 62.439 61.300 -0.119 0.000 1.404 207 I CB -0.497 37.399 38.000 -0.173 0.000 1.071 207 I HN -0.148 nan 8.210 nan 0.000 0.419 208 I N 0.588 121.123 120.570 -0.059 0.000 2.226 208 I HA -0.302 3.875 4.170 0.012 0.000 0.245 208 I C 2.658 178.752 176.117 -0.037 0.000 1.100 208 I CA 1.468 62.744 61.300 -0.040 0.000 1.374 208 I CB -0.384 37.592 38.000 -0.041 0.000 1.057 208 I HN 0.289 nan 8.210 nan 0.000 0.413 209 E N 0.887 121.063 120.200 -0.040 0.000 2.058 209 E HA -0.318 4.039 4.350 0.012 0.000 0.194 209 E C 2.187 178.768 176.600 -0.030 0.000 0.997 209 E CA 1.685 58.066 56.400 -0.032 0.000 0.801 209 E CB -0.048 29.634 29.700 -0.031 0.000 0.746 209 E HN 0.533 nan 8.360 nan 0.000 0.450 210 Q N -0.228 119.550 119.800 -0.036 0.000 2.135 210 Q HA -0.132 4.215 4.340 0.012 0.000 0.204 210 Q C 2.203 178.185 176.000 -0.029 0.000 0.981 210 Q CA 1.580 57.363 55.803 -0.033 0.000 0.856 210 Q CB -0.027 28.687 28.738 -0.040 0.000 0.902 210 Q HN 0.181 nan 8.270 nan 0.000 0.425 211 R N -0.379 120.103 120.500 -0.031 0.000 2.276 211 R HA 0.103 4.450 4.340 0.012 0.000 0.196 211 R C 1.904 178.190 176.300 -0.023 0.000 0.961 211 R CA 0.183 56.267 56.100 -0.027 0.000 1.024 211 R CB 0.222 30.505 30.300 -0.029 0.000 0.940 211 R HN 0.098 nan 8.270 nan 0.000 0.480 212 R N 0.157 120.643 120.500 -0.023 0.000 2.119 212 R HA -0.037 4.310 4.340 0.012 0.000 0.222 212 R C 2.173 178.462 176.300 -0.018 0.000 1.088 212 R CA 0.872 56.960 56.100 -0.019 0.000 0.984 212 R CB 0.084 30.373 30.300 -0.019 0.000 0.884 212 R HN 0.198 nan 8.270 nan 0.000 0.447 213 Q N 0.961 120.750 119.800 -0.019 0.000 2.062 213 Q HA -0.044 4.303 4.340 0.012 0.000 0.196 213 Q C -0.124 175.866 176.000 -0.017 0.000 0.967 213 Q CA 1.197 56.990 55.803 -0.017 0.000 0.832 213 Q CB 0.508 29.236 28.738 -0.017 0.000 0.899 213 Q HN 0.048 nan 8.270 nan 0.000 0.442 214 K N 1.916 122.305 120.400 -0.018 0.000 2.687 214 K HA 0.367 4.694 4.320 0.012 0.000 0.197 214 K C -2.590 173.998 176.600 -0.020 0.000 1.049 214 K CA -1.626 54.651 56.287 -0.018 0.000 1.030 214 K CB 1.849 34.339 32.500 -0.017 0.000 1.261 214 K HN 0.154 nan 8.250 nan 0.000 0.565 215 P HA 0.052 nan 4.420 nan 0.000 0.271 215 P C 0.005 177.292 177.300 -0.022 0.000 1.216 215 P CA 0.013 63.100 63.100 -0.021 0.000 0.776 215 P CB 1.428 33.115 31.700 -0.020 0.000 0.881 216 G N 0.759 109.545 108.800 -0.024 0.000 2.890 216 G HA2 0.458 4.426 3.960 0.012 0.000 0.189 216 G HA3 0.458 4.426 3.960 0.012 0.000 0.189 216 G C 0.339 175.222 174.900 -0.028 0.000 1.342 216 G CA -0.144 44.941 45.100 -0.025 0.000 1.026 216 G HN 0.481 nan 8.290 nan 0.000 0.579 217 T N -1.435 113.100 114.554 -0.030 0.000 3.129 217 T HA 0.215 4.572 4.350 0.012 0.000 0.267 217 T C 0.310 174.986 174.700 -0.041 0.000 1.018 217 T CA 0.223 62.304 62.100 -0.032 0.000 0.903 217 T CB -0.284 68.567 68.868 -0.029 0.000 1.067 217 T HN 0.566 nan 8.240 nan 0.000 0.549 218 D N 0.926 121.297 120.400 -0.049 0.000 2.398 218 D HA 0.361 5.008 4.640 0.012 0.000 0.247 218 D C 1.462 177.720 176.300 -0.070 0.000 1.227 218 D CA -0.220 53.738 54.000 -0.069 0.000 0.980 218 D CB 1.373 42.126 40.800 -0.078 0.000 1.106 218 D HN 0.095 nan 8.370 nan 0.000 0.493 219 A N 0.676 123.437 122.820 -0.099 0.000 1.933 219 A HA -0.138 4.189 4.320 0.012 0.000 0.218 219 A C 2.377 179.932 177.584 -0.048 0.000 1.175 219 A CA 1.101 53.090 52.037 -0.080 0.000 0.628 219 A CB -0.780 18.149 19.000 -0.118 0.000 0.814 219 A HN 0.649 nan 8.150 nan 0.000 0.444 220 I N -0.499 120.039 120.570 -0.054 0.000 2.252 220 I HA -0.200 3.978 4.170 0.012 0.000 0.245 220 I C 2.665 178.771 176.117 -0.018 0.000 1.102 220 I CA 1.330 62.619 61.300 -0.017 0.000 1.385 220 I CB -0.355 37.641 38.000 -0.007 0.000 1.064 220 I HN 0.217 nan 8.210 nan 0.000 0.414 221 S N 1.007 116.690 115.700 -0.029 0.000 2.370 221 S HA -0.146 4.331 4.470 0.012 0.000 0.226 221 S C 2.021 176.608 174.600 -0.021 0.000 1.033 221 S CA 1.377 59.562 58.200 -0.025 0.000 1.011 221 S CB -0.330 62.852 63.200 -0.029 0.000 0.852 221 S HN 0.323 nan 8.310 nan 0.000 0.457 222 I N 0.903 121.459 120.570 -0.023 0.000 2.179 222 I HA -0.152 4.025 4.170 0.012 0.000 0.242 222 I C 2.216 178.327 176.117 -0.011 0.000 1.088 222 I CA 0.945 62.233 61.300 -0.019 0.000 1.357 222 I CB -0.480 37.507 38.000 -0.022 0.000 1.051 222 I HN 0.147 nan 8.210 nan 0.000 0.409 223 V N 1.006 120.919 119.914 -0.002 0.000 2.295 223 V HA -0.282 3.846 4.120 0.012 0.000 0.246 223 V C 2.601 178.702 176.094 0.012 0.000 1.049 223 V CA 2.095 64.403 62.300 0.013 0.000 1.024 223 V CB -0.896 30.944 31.823 0.027 0.000 0.648 223 V HN 0.511 nan 8.190 nan 0.000 0.447 224 A N -0.406 122.415 122.820 0.002 0.000 2.119 224 A HA -0.088 4.239 4.320 0.012 0.000 0.217 224 A C 1.742 179.322 177.584 -0.006 0.000 1.153 224 A CA 1.272 53.308 52.037 -0.002 0.000 0.692 224 A CB -0.353 18.641 19.000 -0.011 0.000 0.799 224 A HN 0.618 nan 8.150 nan 0.000 0.458 225 N N -0.057 118.637 118.700 -0.010 0.000 2.204 225 N HA 0.103 4.850 4.740 0.012 0.000 0.219 225 N C 0.748 176.246 175.510 -0.020 0.000 1.151 225 N CA 0.457 53.498 53.050 -0.015 0.000 0.867 225 N CB 0.661 39.138 38.487 -0.018 0.000 1.043 225 N HN 0.389 nan 8.380 nan 0.000 0.516 226 G N 0.244 109.033 108.800 -0.018 0.000 2.651 226 G HA2 0.178 4.145 3.960 0.012 0.000 0.260 226 G HA3 0.178 4.145 3.960 0.012 0.000 0.260 226 G C -0.048 174.823 174.900 -0.049 0.000 1.216 226 G CA -0.153 44.928 45.100 -0.032 0.000 0.913 226 G HN 0.008 nan 8.290 nan 0.000 0.535 227 Q N -0.601 119.156 119.800 -0.071 0.000 2.316 227 Q HA 0.479 4.827 4.340 0.012 0.000 0.264 227 Q C -0.525 175.383 176.000 -0.154 0.000 0.987 227 Q CA -0.644 55.104 55.803 -0.092 0.000 0.852 227 Q CB 2.142 30.834 28.738 -0.075 0.000 1.287 227 Q HN 0.547 nan 8.270 nan 0.000 0.448 228 V N -0.213 119.576 119.914 -0.208 0.000 2.638 228 V HA 0.475 4.602 4.120 0.012 0.000 0.306 228 V C -0.041 175.885 176.094 -0.280 0.000 1.052 228 V CA -1.064 61.018 62.300 -0.363 0.000 0.885 228 V CB 1.768 33.142 31.823 -0.748 0.000 0.999 228 V HN 0.841 nan 8.190 nan 0.000 0.424 229 N N 2.956 121.509 118.700 -0.245 0.000 2.714 229 N HA -0.210 4.537 4.740 0.012 0.000 0.252 229 N C 1.155 176.605 175.510 -0.100 0.000 1.014 229 N CA 1.669 54.628 53.050 -0.151 0.000 0.735 229 N CB -1.151 37.255 38.487 -0.135 0.000 0.924 229 N HN 2.253 nan 8.380 nan 0.000 0.540 230 G N -0.880 107.864 108.800 -0.094 0.000 2.198 230 G HA2 -0.338 3.629 3.960 0.012 0.000 0.260 230 G HA3 -0.338 3.629 3.960 0.012 0.000 0.260 230 G C 0.129 174.995 174.900 -0.056 0.000 1.025 230 G CA 1.087 46.148 45.100 -0.066 0.000 0.769 230 G HN 0.983 nan 8.290 nan 0.000 0.507 231 R N -2.560 117.899 120.500 -0.067 0.000 2.712 231 R HA 0.723 5.070 4.340 0.012 0.000 0.272 231 R C -3.491 172.777 176.300 -0.054 0.000 1.032 231 R CA -2.106 53.965 56.100 -0.049 0.000 0.874 231 R CB -0.178 30.101 30.300 -0.035 0.000 1.256 231 R HN 0.014 nan 8.270 nan 0.000 0.468 232 P HA 0.128 nan 4.420 nan 0.000 0.271 232 P C -0.248 177.040 177.300 -0.019 0.000 1.216 232 P CA -0.310 62.772 63.100 -0.029 0.000 0.776 232 P CB 0.481 32.170 31.700 -0.018 0.000 0.881 233 I N 2.436 122.997 120.570 -0.015 0.000 2.752 233 I HA 0.021 4.198 4.170 0.012 0.000 0.287 233 I C 0.792 176.930 176.117 0.036 0.000 1.188 233 I CA 0.267 61.585 61.300 0.030 0.000 1.427 233 I CB 0.633 38.663 38.000 0.049 0.000 1.365 233 I HN 0.412 nan 8.210 nan 0.000 0.585 234 T N 2.418 117.007 114.554 0.058 0.000 2.849 234 T HA 0.186 4.543 4.350 0.012 0.000 0.284 234 T C 1.072 175.779 174.700 0.012 0.000 1.004 234 T CA -0.393 61.725 62.100 0.030 0.000 1.021 234 T CB 1.539 70.426 68.868 0.031 0.000 1.013 234 T HN 0.672 nan 8.240 nan 0.000 0.527 235 S N 0.625 116.320 115.700 -0.009 0.000 2.370 235 S HA -0.137 4.341 4.470 0.012 0.000 0.226 235 S C 1.673 176.237 174.600 -0.060 0.000 1.033 235 S CA 1.637 59.819 58.200 -0.031 0.000 1.011 235 S CB -0.687 62.494 63.200 -0.032 0.000 0.852 235 S HN 0.979 nan 8.310 nan 0.000 0.457 236 D N 0.986 121.352 120.400 -0.057 0.000 2.092 236 D HA -0.158 4.489 4.640 0.012 0.000 0.193 236 D C 1.906 178.144 176.300 -0.105 0.000 0.994 236 D CA 1.489 55.432 54.000 -0.094 0.000 0.828 236 D CB -0.134 40.632 40.800 -0.056 0.000 0.963 236 D HN 0.464 nan 8.370 nan 0.000 0.450 237 E N -0.163 120.013 120.200 -0.040 0.000 2.110 237 E HA -0.147 4.211 4.350 0.012 0.000 0.193 237 E C 2.161 178.750 176.600 -0.019 0.000 0.988 237 E CA 0.971 57.357 56.400 -0.024 0.000 0.804 237 E CB -0.202 29.572 29.700 0.122 0.000 0.745 237 E HN 0.392 nan 8.360 nan 0.000 0.458 238 A N 1.930 124.747 122.820 -0.006 0.000 1.902 238 A HA -0.257 4.070 4.320 0.012 0.000 0.217 238 A C 2.101 179.647 177.584 -0.064 0.000 1.181 238 A CA 1.786 53.817 52.037 -0.010 0.000 0.623 238 A CB -0.458 18.537 19.000 -0.008 0.000 0.818 238 A HN 0.132 nan 8.150 nan 0.000 0.443 239 K N -0.332 119.985 120.400 -0.138 0.000 2.057 239 K HA -0.167 4.160 4.320 0.012 0.000 0.207 239 K C 2.136 178.576 176.600 -0.266 0.000 1.049 239 K CA 1.520 57.662 56.287 -0.241 0.000 0.931 239 K CB -0.216 32.038 32.500 -0.410 0.000 0.714 239 K HN 0.414 nan 8.250 nan 0.000 0.440 240 R N 0.112 120.470 120.500 -0.238 0.000 2.115 240 R HA -0.036 4.311 4.340 0.012 0.000 0.230 240 R C 2.399 178.633 176.300 -0.111 0.000 1.111 240 R CA 1.605 57.663 56.100 -0.070 0.000 0.976 240 R CB -0.183 30.096 30.300 -0.036 0.000 0.870 240 R HN 0.339 nan 8.270 nan 0.000 0.445 241 M N -0.347 119.194 119.600 -0.099 0.000 2.193 241 M HA -0.137 4.350 4.480 0.012 0.000 0.265 241 M C 1.828 178.071 176.300 -0.094 0.000 1.071 241 M CA 1.439 56.694 55.300 -0.075 0.000 1.140 241 M CB 0.054 32.662 32.600 0.013 0.000 1.369 241 M HN 0.245 nan 8.290 nan 0.000 0.423 242 C N 0.512 119.778 119.300 -0.057 0.000 2.425 242 C HA -0.055 4.412 4.460 0.012 0.000 0.277 242 C C 2.745 177.686 174.990 -0.082 0.000 1.280 242 C CA 1.014 60.036 59.018 0.008 0.000 1.744 242 C CB -1.866 25.914 27.740 0.067 0.000 1.989 242 C HN 0.804 nan 8.230 nan 0.000 0.491 243 G N 0.362 109.038 108.800 -0.207 0.000 2.446 243 G HA2 -0.229 3.739 3.960 0.012 0.000 0.217 243 G HA3 -0.229 3.739 3.960 0.012 0.000 0.217 243 G C 1.520 175.923 174.900 -0.829 0.000 1.168 243 G CA 1.081 45.913 45.100 -0.447 0.000 0.771 243 G HN 0.474 nan 8.290 nan 0.000 0.551 244 L N 0.392 121.043 121.223 -0.953 0.000 2.056 244 L HA 0.156 4.503 4.340 0.012 0.000 0.207 244 L C 2.693 179.462 176.870 -0.169 0.000 1.078 244 L CA 1.269 55.807 54.840 -0.502 0.000 0.749 244 L CB -0.410 41.518 42.059 -0.219 0.000 0.901 244 L HN 0.205 nan 8.230 nan 0.000 0.433 245 L N -1.146 120.017 121.223 -0.099 0.000 2.127 245 L HA -0.216 4.131 4.340 0.012 0.000 0.211 245 L C 2.422 179.269 176.870 -0.038 0.000 1.089 245 L CA 1.012 55.882 54.840 0.050 0.000 0.757 245 L CB -0.657 41.516 42.059 0.189 0.000 0.899 245 L HN 0.390 nan 8.230 nan 0.000 0.434 246 L N -0.064 120.955 121.223 -0.340 0.000 2.023 246 L HA -0.105 4.242 4.340 0.012 0.000 0.205 246 L C 2.479 179.084 176.870 -0.442 0.000 1.073 246 L CA 1.982 56.274 54.840 -0.914 0.000 0.745 246 L CB -0.492 41.056 42.059 -0.851 0.000 0.900 246 L HN 0.146 nan 8.230 nan 0.000 0.435 247 V N -2.220 117.569 119.914 -0.210 0.000 2.667 247 V HA 0.090 4.217 4.120 0.012 0.000 0.252 247 V C 2.302 178.408 176.094 0.020 0.000 1.065 247 V CA 1.370 63.647 62.300 -0.039 0.000 1.083 247 V CB -1.850 30.072 31.823 0.164 0.000 0.692 247 V HN 0.431 nan 8.190 nan 0.000 0.468 248 G N 0.657 109.478 108.800 0.035 0.000 2.448 248 G HA2 0.001 3.968 3.960 0.012 0.000 0.219 248 G HA3 0.001 3.968 3.960 0.012 0.000 0.219 248 G C 1.353 176.294 174.900 0.067 0.000 1.127 248 G CA 0.710 45.860 45.100 0.084 0.000 0.766 248 G HN 0.838 nan 8.290 nan 0.000 0.552 249 G N -0.426 108.396 108.800 0.036 0.000 3.233 249 G HA2 0.395 4.363 3.960 0.012 0.000 0.234 249 G HA3 0.395 4.363 3.960 0.012 0.000 0.234 249 G C 1.238 176.156 174.900 0.031 0.000 1.137 249 G CA -0.205 44.923 45.100 0.047 0.000 0.763 249 G HN 0.360 nan 8.290 nan 0.000 0.549 250 L N -0.504 120.725 121.223 0.009 0.000 2.255 250 L HA 0.214 4.561 4.340 0.012 0.000 0.196 250 L C 2.088 178.977 176.870 0.031 0.000 1.202 250 L CA 0.338 55.178 54.840 0.001 0.000 0.819 250 L CB -0.438 41.596 42.059 -0.042 0.000 1.006 250 L HN -0.097 nan 8.230 nan 0.000 0.480 251 D N 0.229 120.644 120.400 0.025 0.000 2.144 251 D HA -0.158 4.489 4.640 0.012 0.000 0.199 251 D C 2.171 178.506 176.300 0.059 0.000 0.984 251 D CA 1.884 55.902 54.000 0.029 0.000 0.834 251 D CB -0.258 40.550 40.800 0.014 0.000 0.955 251 D HN 0.439 nan 8.370 nan 0.000 0.465 252 T N -1.234 113.366 114.554 0.076 0.000 2.607 252 T HA -0.169 4.188 4.350 0.012 0.000 0.267 252 T C 2.198 177.001 174.700 0.172 0.000 1.049 252 T CA 1.538 63.703 62.100 0.108 0.000 1.162 252 T CB -0.912 68.014 68.868 0.096 0.000 0.863 252 T HN -0.005 nan 8.240 nan 0.000 0.424 253 V N 1.418 121.433 119.914 0.168 0.000 2.307 253 V HA -0.127 4.000 4.120 0.012 0.000 0.245 253 V C 2.995 179.231 176.094 0.236 0.000 1.045 253 V CA 1.392 63.834 62.300 0.238 0.000 1.024 253 V CB -0.774 31.170 31.823 0.201 0.000 0.651 253 V HN 0.399 nan 8.190 nan 0.000 0.449 254 V N 0.979 120.980 119.914 0.146 0.000 2.252 254 V HA -0.288 3.839 4.120 0.012 0.000 0.249 254 V C 2.286 178.416 176.094 0.060 0.000 1.056 254 V CA 2.472 64.831 62.300 0.097 0.000 1.022 254 V CB -0.868 30.974 31.823 0.031 0.000 0.641 254 V HN 0.583 nan 8.190 nan 0.000 0.445 255 N N -0.689 118.027 118.700 0.026 0.000 2.250 255 N HA -0.074 4.674 4.740 0.012 0.000 0.181 255 N C 1.574 177.029 175.510 -0.091 0.000 1.017 255 N CA 1.127 54.098 53.050 -0.132 0.000 0.866 255 N CB -0.467 37.957 38.487 -0.104 0.000 0.985 255 N HN 0.520 nan 8.380 nan 0.000 0.429 256 F N 1.808 121.795 119.950 0.063 0.000 2.113 256 F HA 0.037 4.572 4.527 0.012 0.000 0.297 256 F C 1.938 177.806 175.800 0.114 0.000 1.103 256 F CA 0.908 59.008 58.000 0.167 0.000 1.248 256 F CB -0.343 38.730 39.000 0.123 0.000 0.999 256 F HN -0.094 nan 8.300 nan 0.000 0.475 257 L N -0.530 120.720 121.223 0.045 0.000 2.043 257 L HA -0.282 4.065 4.340 0.012 0.000 0.212 257 L C 2.532 179.321 176.870 -0.134 0.000 1.075 257 L CA 1.608 56.458 54.840 0.016 0.000 0.752 257 L CB -1.027 41.248 42.059 0.360 0.000 0.891 257 L HN 0.112 nan 8.230 nan 0.000 0.432 258 S N -0.483 115.180 115.700 -0.061 0.000 2.368 258 S HA -0.129 4.348 4.470 0.012 0.000 0.225 258 S C 1.768 176.135 174.600 -0.389 0.000 1.030 258 S CA 1.231 59.327 58.200 -0.173 0.000 0.999 258 S CB -0.349 62.749 63.200 -0.171 0.000 0.844 258 S HN 0.212 nan 8.310 nan 0.000 0.459 259 F N 2.182 121.879 119.950 -0.421 0.000 2.134 259 F HA -0.089 4.445 4.527 0.012 0.000 0.299 259 F C 2.773 178.038 175.800 -0.891 0.000 1.097 259 F CA 0.825 58.439 58.000 -0.643 0.000 1.264 259 F CB -1.007 37.616 39.000 -0.628 0.000 1.001 259 F HN 0.102 nan 8.300 nan 0.000 0.479 260 S N -0.479 114.834 115.700 -0.645 0.000 2.368 260 S HA -0.165 4.313 4.470 0.012 0.000 0.224 260 S C 2.102 176.478 174.600 -0.372 0.000 1.029 260 S CA 1.146 59.020 58.200 -0.542 0.000 0.988 260 S CB -0.215 62.657 63.200 -0.548 0.000 0.838 260 S HN 0.185 nan 8.310 nan 0.000 0.462 261 M N 1.177 120.458 119.600 -0.531 0.000 2.254 261 M HA 0.028 4.515 4.480 0.012 0.000 0.265 261 M C 2.152 178.248 176.300 -0.341 0.000 1.066 261 M CA 1.025 55.949 55.300 -0.627 0.000 1.123 261 M CB -1.155 30.595 32.600 -1.417 0.000 1.388 261 M HN 0.427 nan 8.290 nan 0.000 0.425 262 E N -0.043 119.981 120.200 -0.294 0.000 2.051 262 E HA -0.231 4.126 4.350 0.012 0.000 0.192 262 E C 1.984 178.530 176.600 -0.090 0.000 0.991 262 E CA 1.205 57.523 56.400 -0.138 0.000 0.799 262 E CB -0.177 29.483 29.700 -0.066 0.000 0.748 262 E HN 0.334 nan 8.360 nan 0.000 0.449 263 F N 1.553 121.327 119.950 -0.292 0.000 2.069 263 F HA -0.195 4.339 4.527 0.012 0.000 0.298 263 F C 2.013 177.748 175.800 -0.109 0.000 1.113 263 F CA 1.526 59.410 58.000 -0.193 0.000 1.214 263 F CB -0.358 38.492 39.000 -0.250 0.000 0.978 263 F HN 0.007 nan 8.300 nan 0.000 0.474 264 L N -0.137 120.975 121.223 -0.185 0.000 2.083 264 L HA -0.180 4.167 4.340 0.012 0.000 0.209 264 L C 2.771 179.417 176.870 -0.373 0.000 1.083 264 L CA 1.058 55.749 54.840 -0.249 0.000 0.752 264 L CB -1.215 40.844 42.059 0.001 0.000 0.899 264 L HN 0.269 nan 8.230 nan 0.000 0.433 265 A N 0.119 122.811 122.820 -0.213 0.000 1.972 265 A HA -0.201 4.126 4.320 0.012 0.000 0.219 265 A C 2.250 179.689 177.584 -0.242 0.000 1.169 265 A CA 1.589 53.485 52.037 -0.235 0.000 0.635 265 A CB -0.257 18.787 19.000 0.072 0.000 0.810 265 A HN 0.347 nan 8.150 nan 0.000 0.446 266 K N -0.287 119.970 120.400 -0.239 0.000 2.400 266 K HA 0.134 4.461 4.320 0.012 0.000 0.194 266 K C -0.241 176.196 176.600 -0.273 0.000 1.033 266 K CA 0.427 56.593 56.287 -0.201 0.000 1.021 266 K CB 0.360 32.784 32.500 -0.127 0.000 0.808 266 K HN 0.283 nan 8.250 nan 0.000 0.505 267 S N 2.003 117.449 115.700 -0.423 0.000 2.130 267 S HA 0.167 4.644 4.470 0.012 0.000 0.165 267 S C -2.075 172.374 174.600 -0.252 0.000 1.677 267 S CA -1.033 56.935 58.200 -0.387 0.000 1.227 267 S CB 1.179 63.906 63.200 -0.788 0.000 1.115 267 S HN 0.054 nan 8.310 nan 0.000 0.452 268 P HA -0.157 nan 4.420 nan 0.000 0.219 268 P C 0.999 178.241 177.300 -0.097 0.000 1.146 268 P CA 1.159 64.163 63.100 -0.160 0.000 0.808 268 P CB 0.372 31.995 31.700 -0.128 0.000 0.779 269 E N -0.952 119.201 120.200 -0.078 0.000 2.106 269 E HA -0.192 4.165 4.350 0.012 0.000 0.192 269 E C 2.069 178.608 176.600 -0.102 0.000 0.984 269 E CA 1.000 57.346 56.400 -0.089 0.000 0.806 269 E CB -0.478 29.152 29.700 -0.116 0.000 0.750 269 E HN 0.471 nan 8.360 nan 0.000 0.458 270 H N -0.060 118.965 119.070 -0.074 0.000 2.395 270 H HA 0.010 4.572 4.556 0.011 0.000 0.299 270 H C 2.100 177.530 175.328 0.171 0.000 1.070 270 H CA 1.265 57.339 56.048 0.043 0.000 1.356 270 H CB 0.072 29.844 29.762 0.018 0.000 1.401 270 H HN -0.054 nan 8.280 nan 0.000 0.524 271 R N 0.419 120.996 120.500 0.129 0.000 2.083 271 R HA -0.223 4.124 4.340 0.012 0.000 0.237 271 R C 2.200 178.537 176.300 0.061 0.000 1.137 271 R CA 1.765 57.898 56.100 0.054 0.000 0.951 271 R CB -0.012 30.207 30.300 -0.135 0.000 0.851 271 R HN 0.215 nan 8.270 nan 0.000 0.434 272 Q N 0.717 120.531 119.800 0.023 0.000 2.124 272 Q HA -0.207 4.140 4.340 0.012 0.000 0.202 272 Q C 1.699 177.729 176.000 0.051 0.000 0.977 272 Q CA 2.108 57.923 55.803 0.019 0.000 0.850 272 Q CB -0.090 28.642 28.738 -0.010 0.000 0.901 272 Q HN 0.448 nan 8.270 nan 0.000 0.429 273 E N -0.606 119.644 120.200 0.084 0.000 2.085 273 E HA -0.195 4.162 4.350 0.012 0.000 0.194 273 E C 1.680 178.360 176.600 0.134 0.000 0.994 273 E CA 1.348 57.819 56.400 0.119 0.000 0.801 273 E CB -0.148 29.658 29.700 0.177 0.000 0.743 273 E HN 0.469 nan 8.360 nan 0.000 0.453 274 L N 0.331 121.645 121.223 0.153 0.000 2.240 274 L HA -0.054 4.293 4.340 0.012 0.000 0.211 274 L C 2.466 179.373 176.870 0.063 0.000 1.106 274 L CA 0.356 55.249 54.840 0.088 0.000 0.793 274 L CB -0.213 41.885 42.059 0.065 0.000 0.927 274 L HN 0.223 nan 8.230 nan 0.000 0.446 275 I N 0.028 120.636 120.570 0.065 0.000 2.252 275 I HA -0.255 3.922 4.170 0.012 0.000 0.245 275 I C 2.347 178.487 176.117 0.038 0.000 1.102 275 I CA 1.449 62.777 61.300 0.048 0.000 1.385 275 I CB -0.091 37.934 38.000 0.041 0.000 1.064 275 I HN 0.262 nan 8.210 nan 0.000 0.414 276 E N 0.391 120.615 120.200 0.040 0.000 2.158 276 E HA -0.009 4.348 4.350 0.012 0.000 0.191 276 E C 0.478 177.099 176.600 0.035 0.000 0.982 276 E CA 0.549 56.969 56.400 0.033 0.000 0.823 276 E CB 0.283 30.001 29.700 0.030 0.000 0.766 276 E HN 0.317 nan 8.360 nan 0.000 0.468 277 R N 1.000 121.527 120.500 0.044 0.000 2.651 277 R HA 0.157 4.504 4.340 0.012 0.000 0.282 277 R C -2.224 174.099 176.300 0.038 0.000 1.565 277 R CA -1.241 54.885 56.100 0.043 0.000 1.661 277 R CB 0.828 31.162 30.300 0.055 0.000 1.189 277 R HN 0.070 nan 8.270 nan 0.000 0.621 278 P HA -0.190 nan 4.420 nan 0.000 0.222 278 P C 1.064 178.375 177.300 0.019 0.000 1.147 278 P CA 1.090 64.205 63.100 0.024 0.000 0.790 278 P CB 0.337 32.052 31.700 0.025 0.000 0.780 279 E N 1.224 121.438 120.200 0.024 0.000 2.333 279 E HA -0.177 4.180 4.350 0.012 0.000 0.198 279 E C 1.539 178.152 176.600 0.022 0.000 1.007 279 E CA 0.846 57.260 56.400 0.024 0.000 0.845 279 E CB -0.648 29.068 29.700 0.027 0.000 0.766 279 E HN 0.314 nan 8.360 nan 0.000 0.507 280 R N 0.179 120.690 120.500 0.019 0.000 2.297 280 R HA 0.241 4.589 4.340 0.012 0.000 0.197 280 R C 2.320 178.589 176.300 -0.053 0.000 0.943 280 R CA 0.194 56.301 56.100 0.012 0.000 1.038 280 R CB -0.154 30.176 30.300 0.050 0.000 0.957 280 R HN 0.210 nan 8.270 nan 0.000 0.484 281 I N 1.504 122.042 120.570 -0.055 0.000 2.208 281 I HA -0.207 3.970 4.170 0.012 0.000 0.245 281 I C -0.814 175.267 176.117 -0.059 0.000 1.097 281 I CA 1.374 62.620 61.300 -0.091 0.000 1.363 281 I CB -0.972 37.006 38.000 -0.037 0.000 1.051 281 I HN 0.040 nan 8.210 nan 0.000 0.413 282 P HA -0.185 nan 4.420 nan 0.000 0.215 282 P C 1.528 178.844 177.300 0.027 0.000 1.157 282 P CA 1.885 65.001 63.100 0.026 0.000 0.868 282 P CB -0.029 31.696 31.700 0.041 0.000 0.788 283 A N 0.001 122.833 122.820 0.020 0.000 1.902 283 A HA -0.137 4.190 4.320 0.012 0.000 0.217 283 A C 2.338 179.933 177.584 0.019 0.000 1.181 283 A CA 2.181 54.245 52.037 0.046 0.000 0.623 283 A CB -1.658 17.385 19.000 0.071 0.000 0.818 283 A HN 0.186 nan 8.150 nan 0.000 0.443 284 A N -0.869 121.862 122.820 -0.149 0.000 1.908 284 A HA -0.254 4.073 4.320 0.012 0.000 0.218 284 A C 2.432 179.928 177.584 -0.146 0.000 1.181 284 A CA 1.847 53.602 52.037 -0.470 0.000 0.627 284 A CB -1.543 16.754 19.000 -1.171 0.000 0.818 284 A HN 0.964 nan 8.150 nan 0.000 0.445 285 C N -0.636 118.636 119.300 -0.048 0.000 2.401 285 C HA -0.152 4.315 4.460 0.012 0.000 0.276 285 C C 2.582 177.642 174.990 0.117 0.000 1.233 285 C CA 1.925 60.997 59.018 0.091 0.000 1.753 285 C CB -1.113 26.691 27.740 0.106 0.000 2.029 285 C HN 0.696 nan 8.230 nan 0.000 0.478 286 E N 0.585 120.843 120.200 0.096 0.000 2.072 286 E HA -0.172 4.185 4.350 0.012 0.000 0.191 286 E C 2.079 178.725 176.600 0.078 0.000 0.985 286 E CA 1.717 58.180 56.400 0.104 0.000 0.801 286 E CB -0.374 29.415 29.700 0.149 0.000 0.750 286 E HN 0.738 nan 8.360 nan 0.000 0.452 287 E N 0.028 120.300 120.200 0.121 0.000 2.110 287 E HA -0.132 4.225 4.350 0.012 0.000 0.193 287 E C 1.858 178.497 176.600 0.065 0.000 0.988 287 E CA 1.106 57.576 56.400 0.116 0.000 0.804 287 E CB -0.256 29.593 29.700 0.248 0.000 0.745 287 E HN 0.352 nan 8.360 nan 0.000 0.458 288 L N -0.262 121.064 121.223 0.172 0.000 2.109 288 L HA -0.094 4.254 4.340 0.012 0.000 0.207 288 L C 2.474 179.570 176.870 0.376 0.000 1.086 288 L CA 0.661 55.675 54.840 0.290 0.000 0.760 288 L CB -0.375 41.915 42.059 0.385 0.000 0.910 288 L HN 0.184 nan 8.230 nan 0.000 0.437 289 L N -0.391 120.924 121.223 0.154 0.000 2.079 289 L HA -0.240 4.107 4.340 0.012 0.000 0.210 289 L C 2.886 179.489 176.870 -0.445 0.000 1.081 289 L CA 1.277 55.903 54.840 -0.356 0.000 0.752 289 L CB -0.461 41.205 42.059 -0.656 0.000 0.896 289 L HN 0.275 nan 8.230 nan 0.000 0.433 290 R N 0.188 120.478 120.500 -0.350 0.000 2.057 290 R HA -0.195 4.152 4.340 0.012 0.000 0.229 290 R C 2.484 178.615 176.300 -0.282 0.000 1.136 290 R CA 1.539 57.470 56.100 -0.281 0.000 0.952 290 R CB -0.097 30.141 30.300 -0.102 0.000 0.848 290 R HN 0.074 nan 8.270 nan 0.000 0.430 291 R N -0.205 120.083 120.500 -0.354 0.000 2.115 291 R HA -0.053 4.295 4.340 0.012 0.000 0.226 291 R C 0.553 176.328 176.300 -0.876 0.000 1.100 291 R CA 1.445 57.144 56.100 -0.669 0.000 0.980 291 R CB -0.110 29.616 30.300 -0.956 0.000 0.875 291 R HN 0.218 nan 8.270 nan 0.000 0.445 292 F N 0.251 120.087 119.950 -0.191 0.000 2.850 292 F HA 0.434 4.968 4.527 0.012 0.000 0.306 292 F C 0.390 176.074 175.800 -0.193 0.000 1.162 292 F CA -0.550 57.268 58.000 -0.304 0.000 1.327 292 F CB -0.070 38.754 39.000 -0.293 0.000 0.953 292 F HN -0.148 nan 8.300 nan 0.000 0.507 293 S N 1.607 117.213 115.700 -0.157 0.000 2.558 293 S HA 0.225 4.702 4.470 0.012 0.000 0.287 293 S C 0.966 175.419 174.600 -0.244 0.000 1.321 293 S CA 0.124 58.190 58.200 -0.224 0.000 1.048 293 S CB 0.459 63.491 63.200 -0.280 0.000 0.844 293 S HN 0.571 nan 8.310 nan 0.000 0.512 294 L N 2.133 123.239 121.223 -0.196 0.000 3.699 294 L HA 0.556 4.903 4.340 0.012 0.000 0.344 294 L C -0.805 175.955 176.870 -0.183 0.000 1.196 294 L CA -0.480 54.271 54.840 -0.148 0.000 1.202 294 L CB 0.194 42.343 42.059 0.150 0.000 1.592 294 L HN 0.349 nan 8.230 nan 0.000 0.631 295 V N 2.159 121.958 119.914 -0.193 0.000 2.539 295 V HA 0.806 4.934 4.120 0.012 0.000 0.292 295 V C 0.355 176.331 176.094 -0.197 0.000 1.045 295 V CA 0.160 62.370 62.300 -0.150 0.000 0.945 295 V CB 1.385 33.156 31.823 -0.086 0.000 0.993 295 V HN 0.351 nan 8.190 nan 0.000 0.464 296 A N 3.567 126.298 122.820 -0.148 0.000 2.745 296 A HA 0.660 4.987 4.320 0.012 0.000 0.301 296 A C -0.576 177.037 177.584 0.049 0.000 1.188 296 A CA -0.648 51.341 52.037 -0.080 0.000 0.746 296 A CB 0.440 19.316 19.000 -0.207 0.000 1.207 296 A HN 0.846 nan 8.150 nan 0.000 0.432 297 D N 1.322 121.795 120.400 0.122 0.000 2.624 297 D HA 0.859 5.506 4.640 0.012 0.000 0.257 297 D C 0.539 176.946 176.300 0.177 0.000 1.167 297 D CA 0.091 54.199 54.000 0.179 0.000 1.086 297 D CB 1.117 42.070 40.800 0.254 0.000 1.210 297 D HN 0.811 nan 8.370 nan 0.000 0.631 298 G N -1.831 107.047 108.800 0.131 0.000 2.588 298 G HA2 0.543 4.510 3.960 0.012 0.000 0.281 298 G HA3 0.543 4.510 3.960 0.012 0.000 0.281 298 G C -1.182 173.738 174.900 0.034 0.000 1.223 298 G CA -0.723 44.414 45.100 0.061 0.000 0.871 298 G HN 0.480 nan 8.290 nan 0.000 0.492 299 R N -1.252 119.267 120.500 0.030 0.000 2.781 299 R HA 0.615 4.962 4.340 0.012 0.000 0.269 299 R C -1.565 174.812 176.300 0.129 0.000 1.025 299 R CA -0.687 55.463 56.100 0.082 0.000 0.914 299 R CB 1.663 32.047 30.300 0.141 0.000 1.236 299 R HN 0.628 nan 8.270 nan 0.000 0.465 300 I N 1.488 122.140 120.570 0.137 0.000 2.509 300 I HA 0.276 4.453 4.170 0.012 0.000 0.293 300 I C -0.585 175.610 176.117 0.130 0.000 1.020 300 I CA -1.059 60.325 61.300 0.141 0.000 1.088 300 I CB 1.330 39.384 38.000 0.089 0.000 1.267 300 I HN 0.254 nan 8.210 nan 0.000 0.430 301 L N 6.618 127.921 121.223 0.133 0.000 2.462 301 L HA 0.079 4.426 4.340 0.012 0.000 0.272 301 L C 1.621 178.493 176.870 0.002 0.000 1.166 301 L CA 0.561 55.413 54.840 0.020 0.000 0.880 301 L CB 0.933 43.032 42.059 0.066 0.000 1.142 301 L HN 0.802 nan 8.230 nan 0.000 0.473 302 T N -1.420 113.099 114.554 -0.057 0.000 3.067 302 T HA 0.051 4.408 4.350 0.012 0.000 0.261 302 T C 0.710 175.393 174.700 -0.029 0.000 1.110 302 T CA 0.484 62.560 62.100 -0.040 0.000 1.113 302 T CB 0.113 68.934 68.868 -0.078 0.000 0.917 302 T HN 0.639 nan 8.240 nan 0.000 0.499 303 S N -0.330 115.357 115.700 -0.022 0.000 2.595 303 S HA 0.441 4.918 4.470 0.012 0.000 0.270 303 S C -2.063 172.548 174.600 0.018 0.000 1.145 303 S CA -1.216 56.987 58.200 0.004 0.000 0.825 303 S CB 0.968 64.175 63.200 0.012 0.000 1.107 303 S HN 0.063 nan 8.310 nan 0.000 0.461 304 D N 1.036 121.450 120.400 0.023 0.000 2.443 304 D HA 0.463 5.110 4.640 0.012 0.000 0.239 304 D C -0.834 175.514 176.300 0.081 0.000 1.136 304 D CA 1.050 55.068 54.000 0.029 0.000 0.879 304 D CB 0.085 40.891 40.800 0.009 0.000 1.195 304 D HN 0.539 nan 8.370 nan 0.000 0.443 305 Y N 0.425 120.644 120.300 -0.135 0.000 2.424 305 Y HA 0.160 4.717 4.550 0.011 0.000 0.323 305 Y C -1.191 174.623 175.900 -0.142 0.000 1.174 305 Y CA -0.982 56.980 58.100 -0.230 0.000 1.060 305 Y CB 1.225 39.383 38.460 -0.503 0.000 1.314 305 Y HN 0.336 nan 8.280 nan 0.000 0.439 306 E N 6.008 125.939 120.200 -0.450 0.000 2.130 306 E HA 0.365 4.722 4.350 0.012 0.000 0.284 306 E C -1.890 174.261 176.600 -0.747 0.000 1.018 306 E CA -0.434 55.699 56.400 -0.446 0.000 0.817 306 E CB 0.579 30.138 29.700 -0.235 0.000 1.078 306 E HN 0.441 nan 8.360 nan 0.000 0.396 307 F N 5.355 124.900 119.950 -0.676 0.000 2.499 307 F HA 0.245 4.779 4.527 0.011 0.000 0.333 307 F C -0.356 175.330 175.800 -0.191 0.000 1.138 307 F CA -0.665 57.027 58.000 -0.513 0.000 0.945 307 F CB 0.626 39.457 39.000 -0.282 0.000 1.181 307 F HN 0.630 nan 8.300 nan 0.000 0.435 308 H N 4.313 123.026 119.070 -0.596 0.000 2.557 308 H HA -0.202 4.361 4.556 0.011 0.000 0.319 308 H C 1.430 176.601 175.328 -0.261 0.000 1.102 308 H CA 1.240 57.018 56.048 -0.451 0.000 1.126 308 H CB -1.045 28.368 29.762 -0.582 0.000 1.498 308 H HN 1.197 nan 8.280 nan 0.000 0.411 309 G N -1.175 107.529 108.800 -0.161 0.000 2.184 309 G HA2 -0.312 3.655 3.960 0.012 0.000 0.264 309 G HA3 -0.312 3.655 3.960 0.012 0.000 0.264 309 G C 0.257 175.116 174.900 -0.068 0.000 0.975 309 G CA 0.300 45.344 45.100 -0.093 0.000 0.642 309 G HN 0.486 nan 8.290 nan 0.000 0.536 310 V N 0.615 120.466 119.914 -0.106 0.000 2.459 310 V HA 0.596 4.723 4.120 0.012 0.000 0.295 310 V C 0.361 176.372 176.094 -0.139 0.000 1.029 310 V CA -0.784 61.447 62.300 -0.115 0.000 0.874 310 V CB 1.820 33.516 31.823 -0.211 0.000 0.985 310 V HN 0.354 nan 8.190 nan 0.000 0.438 311 Q N 4.422 124.197 119.800 -0.042 0.000 2.323 311 Q HA 0.434 4.781 4.340 0.012 0.000 0.257 311 Q C -1.053 175.008 176.000 0.101 0.000 1.022 311 Q CA 0.318 56.128 55.803 0.013 0.000 0.919 311 Q CB 0.548 29.336 28.738 0.083 0.000 1.220 311 Q HN 0.676 nan 8.270 nan 0.000 0.427 312 L N 3.795 125.023 121.223 0.008 0.000 2.325 312 L HA 0.555 4.903 4.340 0.012 0.000 0.279 312 L C 0.160 177.103 176.870 0.123 0.000 1.054 312 L CA -1.060 53.854 54.840 0.123 0.000 0.804 312 L CB 1.192 43.233 42.059 -0.030 0.000 1.200 312 L HN 0.397 nan 8.230 nan 0.000 0.436 313 K N 2.021 122.505 120.400 0.140 0.000 2.156 313 K HA 0.280 4.607 4.320 0.012 0.000 0.254 313 K C -0.515 176.115 176.600 0.050 0.000 0.950 313 K CA -0.911 55.342 56.287 -0.057 0.000 0.849 313 K CB 1.904 34.154 32.500 -0.416 0.000 1.100 313 K HN 0.401 nan 8.250 nan 0.000 0.434 314 K N 0.378 120.787 120.400 0.014 0.000 2.504 314 K HA -0.079 4.248 4.320 0.012 0.000 0.278 314 K C 0.731 177.369 176.600 0.064 0.000 1.025 314 K CA 1.632 57.939 56.287 0.034 0.000 1.093 314 K CB -0.211 32.297 32.500 0.013 0.000 0.873 314 K HN 0.793 nan 8.250 nan 0.000 0.483 315 G N 3.111 111.966 108.800 0.091 0.000 2.217 315 G HA2 -0.223 3.744 3.960 0.012 0.000 0.246 315 G HA3 -0.223 3.744 3.960 0.012 0.000 0.246 315 G C -0.331 174.681 174.900 0.187 0.000 0.990 315 G CA 0.196 45.365 45.100 0.116 0.000 0.627 315 G HN 0.741 nan 8.290 nan 0.000 0.522 316 D N 1.390 121.952 120.400 0.270 0.000 2.423 316 D HA 0.397 5.045 4.640 0.012 0.000 0.238 316 D C 0.906 177.432 176.300 0.378 0.000 1.142 316 D CA 0.512 54.772 54.000 0.432 0.000 0.884 316 D CB 0.516 41.757 40.800 0.735 0.000 1.199 316 D HN 0.521 nan 8.370 nan 0.000 0.438 317 Q N 0.695 120.700 119.800 0.340 0.000 2.222 317 Q HA 0.602 4.949 4.340 0.012 0.000 0.252 317 Q C -0.362 175.850 176.000 0.353 0.000 0.926 317 Q CA -0.610 55.346 55.803 0.256 0.000 0.899 317 Q CB 2.397 31.210 28.738 0.124 0.000 1.250 317 Q HN 0.455 nan 8.270 nan 0.000 0.441 318 I N 2.563 123.304 120.570 0.285 0.000 2.478 318 I HA 0.247 4.424 4.170 0.012 0.000 0.287 318 I C -1.586 174.603 176.117 0.120 0.000 1.042 318 I CA -1.086 60.392 61.300 0.296 0.000 1.067 318 I CB 1.167 39.337 38.000 0.283 0.000 1.233 318 I HN 0.494 nan 8.210 nan 0.000 0.431 319 L N 8.393 129.703 121.223 0.145 0.000 2.319 319 L HA 0.416 4.763 4.340 0.012 0.000 0.280 319 L C -1.157 175.749 176.870 0.059 0.000 1.099 319 L CA 0.307 55.196 54.840 0.082 0.000 0.828 319 L CB 0.764 42.904 42.059 0.136 0.000 1.150 319 L HN 0.551 nan 8.230 nan 0.000 0.442 320 L N 7.725 128.951 121.223 0.005 0.000 2.445 320 L HA 0.407 4.754 4.340 0.012 0.000 0.252 320 L C -2.242 174.697 176.870 0.116 0.000 1.105 320 L CA -1.668 53.124 54.840 -0.080 0.000 0.943 320 L CB 1.005 42.722 42.059 -0.570 0.000 1.277 320 L HN 0.489 nan 8.230 nan 0.000 0.465 321 P HA 0.140 nan 4.420 nan 0.000 0.275 321 P C 0.177 177.496 177.300 0.032 0.000 1.276 321 P CA -0.185 62.953 63.100 0.063 0.000 0.782 321 P CB 1.127 32.874 31.700 0.079 0.000 0.851 322 Q N 2.630 122.449 119.800 0.032 0.000 2.181 322 Q HA -0.190 4.157 4.340 0.012 0.000 0.205 322 Q C 1.889 177.831 176.000 -0.096 0.000 0.980 322 Q CA 1.654 57.454 55.803 -0.005 0.000 0.862 322 Q CB -0.567 28.134 28.738 -0.061 0.000 0.905 322 Q HN 0.514 nan 8.270 nan 0.000 0.429 323 M N -0.392 119.091 119.600 -0.195 0.000 2.149 323 M HA -0.208 4.279 4.480 0.012 0.000 0.261 323 M C 1.371 177.561 176.300 -0.183 0.000 1.064 323 M CA 1.549 56.693 55.300 -0.261 0.000 1.102 323 M CB 0.003 32.326 32.600 -0.462 0.000 1.369 323 M HN 0.292 nan 8.290 nan 0.000 0.408 324 L N -0.657 120.493 121.223 -0.121 0.000 2.240 324 L HA -0.107 4.240 4.340 0.012 0.000 0.211 324 L C 2.385 179.214 176.870 -0.067 0.000 1.106 324 L CA 0.541 55.335 54.840 -0.075 0.000 0.793 324 L CB -0.463 41.577 42.059 -0.031 0.000 0.927 324 L HN 0.308 nan 8.230 nan 0.000 0.446 325 S N 0.437 116.105 115.700 -0.054 0.000 2.359 325 S HA -0.169 4.308 4.470 0.012 0.000 0.224 325 S C 1.966 176.537 174.600 -0.049 0.000 1.035 325 S CA 1.547 59.718 58.200 -0.049 0.000 1.018 325 S CB -0.626 62.550 63.200 -0.040 0.000 0.876 325 S HN 0.602 nan 8.310 nan 0.000 0.448 326 G N 0.753 109.527 108.800 -0.043 0.000 2.572 326 G HA2 0.050 4.017 3.960 0.012 0.000 0.216 326 G HA3 0.050 4.017 3.960 0.012 0.000 0.216 326 G C 1.146 176.002 174.900 -0.074 0.000 1.133 326 G CA 0.128 45.206 45.100 -0.035 0.000 0.791 326 G HN 0.444 nan 8.290 nan 0.000 0.538 327 L N 0.257 121.424 121.223 -0.093 0.000 2.509 327 L HA 0.149 4.497 4.340 0.012 0.000 0.222 327 L C 0.652 177.478 176.870 -0.073 0.000 1.123 327 L CA -0.228 54.553 54.840 -0.099 0.000 0.856 327 L CB -0.023 41.971 42.059 -0.108 0.000 0.985 327 L HN 0.034 nan 8.230 nan 0.000 0.456 328 D N 1.161 121.522 120.400 -0.065 0.000 2.401 328 D HA -0.088 4.559 4.640 0.012 0.000 0.254 328 D C 1.085 177.354 176.300 -0.051 0.000 1.192 328 D CA 0.297 54.261 54.000 -0.060 0.000 0.885 328 D CB 1.431 42.194 40.800 -0.062 0.000 1.147 328 D HN 0.114 nan 8.370 nan 0.000 0.478 329 E N 3.390 123.562 120.200 -0.047 0.000 2.209 329 E HA -0.202 4.156 4.350 0.012 0.000 0.196 329 E C 1.495 178.075 176.600 -0.034 0.000 0.993 329 E CA 1.021 57.399 56.400 -0.037 0.000 0.819 329 E CB 0.235 29.915 29.700 -0.034 0.000 0.745 329 E HN 0.441 nan 8.360 nan 0.000 0.477 330 R N 0.031 120.507 120.500 -0.040 0.000 2.193 330 R HA -0.082 4.266 4.340 0.012 0.000 0.229 330 R C 1.827 178.106 176.300 -0.034 0.000 1.110 330 R CA 1.304 57.381 56.100 -0.037 0.000 0.988 330 R CB -0.021 30.252 30.300 -0.045 0.000 0.871 330 R HN 0.314 nan 8.270 nan 0.000 0.458 331 E N -0.348 119.830 120.200 -0.036 0.000 2.244 331 E HA 0.108 4.465 4.350 0.012 0.000 0.196 331 E C -0.065 176.522 176.600 -0.023 0.000 0.939 331 E CA 0.293 56.674 56.400 -0.032 0.000 0.884 331 E CB 0.500 30.177 29.700 -0.039 0.000 0.850 331 E HN 0.225 nan 8.360 nan 0.000 0.481 332 N N 0.450 119.136 118.700 -0.023 0.000 2.478 332 N HA 0.279 5.026 4.740 0.012 0.000 0.291 332 N C -1.179 174.322 175.510 -0.014 0.000 1.090 332 N CA -0.167 52.874 53.050 -0.015 0.000 0.911 332 N CB 2.159 40.636 38.487 -0.017 0.000 1.546 332 N HN -0.034 nan 8.380 nan 0.000 0.500 333 A N 1.491 124.308 122.820 -0.005 0.000 2.462 333 A HA 0.513 4.840 4.320 0.012 0.000 0.243 333 A C 0.991 178.576 177.584 0.002 0.000 1.076 333 A CA 0.503 52.536 52.037 -0.006 0.000 0.773 333 A CB -0.117 18.881 19.000 -0.004 0.000 1.010 333 A HN 1.257 nan 8.150 nan 0.000 0.493 334 A N 2.822 125.637 122.820 -0.009 0.000 2.466 334 A HA -0.084 4.243 4.320 0.012 0.000 0.295 334 A C -0.709 176.883 177.584 0.013 0.000 1.465 334 A CA 0.607 52.642 52.037 -0.003 0.000 0.744 334 A CB -1.520 17.470 19.000 -0.018 0.000 1.098 334 A HN 0.781 nan 8.150 nan 0.000 0.402 335 P HA -0.156 nan 4.420 nan 0.000 0.222 335 P C 1.278 178.528 177.300 -0.083 0.000 1.147 335 P CA 1.102 64.172 63.100 -0.050 0.000 0.790 335 P CB -0.045 31.619 31.700 -0.061 0.000 0.780 336 M N -1.747 117.819 119.600 -0.056 0.000 2.558 336 M HA 0.012 4.499 4.480 0.012 0.000 0.255 336 M C 1.228 177.490 176.300 -0.063 0.000 1.113 336 M CA 0.360 55.606 55.300 -0.088 0.000 1.097 336 M CB -1.548 31.023 32.600 -0.048 0.000 1.426 336 M HN 0.107 nan 8.290 nan 0.000 0.488 337 H N 1.141 120.144 119.070 -0.110 0.000 2.722 337 H HA 0.274 4.836 4.556 0.011 0.000 0.328 337 H C -1.068 174.177 175.328 -0.139 0.000 1.067 337 H CA -0.217 55.781 56.048 -0.083 0.000 1.447 337 H CB 1.334 31.073 29.762 -0.039 0.000 1.469 337 H HN -0.163 nan 8.280 nan 0.000 0.544 338 V N 6.198 125.793 119.914 -0.533 0.000 2.406 338 V HA 0.064 4.191 4.120 0.012 0.000 0.272 338 V C 0.177 175.928 176.094 -0.571 0.000 1.043 338 V CA -0.217 61.749 62.300 -0.556 0.000 0.915 338 V CB 1.199 32.557 31.823 -0.775 0.000 0.988 338 V HN 0.738 nan 8.190 nan 0.000 0.466 339 D N 4.022 124.205 120.400 -0.361 0.000 2.575 339 D HA 0.320 4.967 4.640 0.012 0.000 0.250 339 D C 0.339 176.635 176.300 -0.007 0.000 1.279 339 D CA -0.518 53.351 54.000 -0.218 0.000 0.925 339 D CB 1.399 42.154 40.800 -0.076 0.000 1.261 339 D HN 0.240 nan 8.370 nan 0.000 0.567 340 F N 1.424 121.422 119.950 0.080 0.000 2.546 340 F HA -0.062 4.471 4.527 0.010 0.000 0.298 340 F C 2.370 178.206 175.800 0.059 0.000 1.120 340 F CA 0.580 58.627 58.000 0.079 0.000 1.456 340 F CB -0.598 38.469 39.000 0.113 0.000 1.088 340 F HN 0.315 nan 8.300 nan 0.000 0.572 341 S N -0.922 114.898 115.700 0.199 0.000 2.557 341 S HA 0.121 4.598 4.470 0.012 0.000 0.223 341 S C 0.828 175.487 174.600 0.099 0.000 0.969 341 S CA -0.622 57.657 58.200 0.133 0.000 0.927 341 S CB -0.371 62.890 63.200 0.102 0.000 0.806 341 S HN 0.188 nan 8.310 nan 0.000 0.489 342 R N 1.842 122.401 120.500 0.098 0.000 2.481 342 R HA -0.015 4.332 4.340 0.012 0.000 0.291 342 R C 1.180 177.522 176.300 0.069 0.000 0.934 342 R CA 0.412 56.557 56.100 0.075 0.000 1.116 342 R CB 0.240 30.581 30.300 0.069 0.000 0.895 342 R HN 0.503 nan 8.270 nan 0.000 0.410 343 Q N 2.378 122.211 119.800 0.054 0.000 2.172 343 Q HA -0.096 4.251 4.340 0.012 0.000 0.200 343 Q C 0.232 176.257 176.000 0.043 0.000 0.964 343 Q CA 1.240 57.071 55.803 0.047 0.000 0.855 343 Q CB 0.227 28.987 28.738 0.037 0.000 0.918 343 Q HN 0.378 nan 8.270 nan 0.000 0.444 344 K N 0.888 121.311 120.400 0.039 0.000 2.664 344 K HA 0.273 4.600 4.320 0.012 0.000 0.234 344 K C -1.581 175.039 176.600 0.034 0.000 0.980 344 K CA -0.214 56.091 56.287 0.031 0.000 0.996 344 K CB 1.603 34.115 32.500 0.019 0.000 1.190 344 K HN -0.176 nan 8.250 nan 0.000 0.479 345 V N 3.049 122.992 119.914 0.049 0.000 2.322 345 V HA 0.111 4.238 4.120 0.012 0.000 0.258 345 V C 0.228 176.355 176.094 0.054 0.000 1.074 345 V CA -0.313 62.031 62.300 0.073 0.000 0.909 345 V CB 0.799 32.694 31.823 0.120 0.000 1.090 345 V HN 0.653 nan 8.190 nan 0.000 0.486 346 S N 5.145 120.859 115.700 0.024 0.000 2.499 346 S HA 0.675 5.152 4.470 0.012 0.000 0.279 346 S C -0.530 174.080 174.600 0.017 0.000 1.219 346 S CA -0.396 57.785 58.200 -0.032 0.000 1.062 346 S CB 0.177 63.358 63.200 -0.031 0.000 0.978 346 S HN 1.078 nan 8.310 nan 0.000 0.489 347 H N -0.017 119.029 119.070 -0.039 0.000 3.003 347 H HA 0.499 5.063 4.556 0.013 0.000 0.327 347 H C -0.542 174.753 175.328 -0.055 0.000 1.353 347 H CA -0.484 55.523 56.048 -0.069 0.000 1.142 347 H CB 0.699 30.401 29.762 -0.099 0.000 1.864 347 H HN 0.319 nan 8.280 nan 0.000 0.529 348 T N -1.586 113.039 114.554 0.119 0.000 3.374 348 T HA 0.186 4.543 4.350 0.012 0.000 0.267 348 T C 0.358 175.113 174.700 0.091 0.000 0.996 348 T CA 0.031 62.189 62.100 0.098 0.000 0.977 348 T CB -0.441 68.439 68.868 0.021 0.000 1.149 348 T HN 0.636 nan 8.240 nan 0.000 0.517 349 T N 1.169 115.820 114.554 0.161 0.000 2.833 349 T HA 0.056 4.413 4.350 0.012 0.000 0.269 349 T C 0.456 174.941 174.700 -0.358 0.000 1.054 349 T CA 1.166 63.089 62.100 -0.295 0.000 1.135 349 T CB -0.359 68.058 68.868 -0.751 0.000 0.869 349 T HN 0.528 nan 8.240 nan 0.000 0.466 350 F N 1.087 121.046 119.950 0.016 0.000 2.645 350 F HA 0.459 4.992 4.527 0.010 0.000 0.300 350 F C 1.640 177.409 175.800 -0.053 0.000 1.115 350 F CA -0.230 57.748 58.000 -0.036 0.000 1.355 350 F CB -0.477 38.503 39.000 -0.032 0.000 1.026 350 F HN 0.284 nan 8.300 nan 0.000 0.536 351 G N 0.155 108.989 108.800 0.057 0.000 2.615 351 G HA2 -0.123 3.844 3.960 0.012 0.000 0.218 351 G HA3 -0.123 3.844 3.960 0.012 0.000 0.218 351 G C -1.301 173.616 174.900 0.027 0.000 1.339 351 G CA -0.333 44.714 45.100 -0.089 0.000 0.884 351 G HN 0.572 nan 8.290 nan 0.000 0.559 352 H N -1.176 117.771 119.070 -0.205 0.000 3.094 352 H HA 0.667 5.229 4.556 0.010 0.000 0.335 352 H C 0.529 175.864 175.328 0.013 0.000 1.254 352 H CA 1.906 57.924 56.048 -0.049 0.000 1.240 352 H CB 1.155 30.938 29.762 0.035 0.000 1.936 352 H HN 2.689 nan 8.280 nan 0.000 0.536 353 G N 1.041 109.542 108.800 -0.499 0.000 2.568 353 G HA2 -0.241 3.726 3.960 0.012 0.000 0.222 353 G HA3 -0.241 3.726 3.960 0.012 0.000 0.222 353 G C 1.178 176.021 174.900 -0.094 0.000 1.321 353 G CA 0.601 45.579 45.100 -0.203 0.000 0.893 353 G HN 1.467 nan 8.290 nan 0.000 0.569 354 S N -1.108 114.570 115.700 -0.038 0.000 2.442 354 S HA -0.085 4.392 4.470 0.012 0.000 0.236 354 S C 1.441 175.892 174.600 -0.249 0.000 1.007 354 S CA 1.987 60.088 58.200 -0.164 0.000 0.965 354 S CB -0.297 62.742 63.200 -0.269 0.000 0.773 354 S HN 0.755 nan 8.310 nan 0.000 0.504 355 H N 0.369 119.421 119.070 -0.029 0.000 2.529 355 H HA 0.337 4.900 4.556 0.012 0.000 0.277 355 H C 0.428 175.731 175.328 -0.041 0.000 1.004 355 H CA -0.395 55.639 56.048 -0.023 0.000 1.167 355 H CB -0.089 29.671 29.762 -0.003 0.000 1.445 355 H HN 0.350 nan 8.280 nan 0.000 0.554 356 L N 2.025 123.258 121.223 0.017 0.000 2.720 356 L HA -0.126 4.221 4.340 0.012 0.000 0.289 356 L C 0.583 177.454 176.870 0.002 0.000 1.232 356 L CA 0.182 55.024 54.840 0.003 0.000 0.915 356 L CB 0.001 42.045 42.059 -0.024 0.000 1.184 356 L HN 0.289 nan 8.230 nan 0.000 0.491 357 C N 6.484 125.800 119.300 0.026 0.000 2.298 357 C HA -0.049 4.419 4.460 0.012 0.000 0.395 357 C C 1.947 176.868 174.990 -0.115 0.000 1.526 357 C CA -0.100 58.917 59.018 -0.001 0.000 1.458 357 C CB -1.446 26.336 27.740 0.070 0.000 2.506 357 C HN 0.947 nan 8.230 nan 0.000 0.604 358 L N 5.107 126.295 121.223 -0.059 0.000 2.217 358 L HA 0.070 4.417 4.340 0.012 0.000 0.211 358 L C 2.451 179.247 176.870 -0.123 0.000 1.107 358 L CA 1.490 56.286 54.840 -0.074 0.000 0.783 358 L CB -0.496 41.559 42.059 -0.006 0.000 0.919 358 L HN 0.972 nan 8.230 nan 0.000 0.442 359 G N -0.421 108.309 108.800 -0.117 0.000 3.088 359 G HA2 -0.082 3.885 3.960 0.012 0.000 0.212 359 G HA3 -0.082 3.885 3.960 0.012 0.000 0.212 359 G C 1.365 176.099 174.900 -0.278 0.000 1.173 359 G CA 0.052 45.083 45.100 -0.115 0.000 0.779 359 G HN 0.550 nan 8.290 nan 0.000 0.540 360 Q N -0.258 119.178 119.800 -0.606 0.000 2.170 360 Q HA -0.185 4.162 4.340 0.012 0.000 0.203 360 Q C 1.808 177.362 176.000 -0.744 0.000 0.976 360 Q CA 1.370 56.463 55.803 -1.185 0.000 0.858 360 Q CB -0.480 27.241 28.738 -1.695 0.000 0.907 360 Q HN 0.479 nan 8.270 nan 0.000 0.433 361 H N 0.400 119.306 119.070 -0.274 0.000 2.363 361 H HA -0.035 4.528 4.556 0.011 0.000 0.301 361 H C 2.189 177.474 175.328 -0.072 0.000 1.074 361 H CA 1.267 57.231 56.048 -0.141 0.000 1.354 361 H CB -0.236 29.468 29.762 -0.097 0.000 1.397 361 H HN 0.261 nan 8.280 nan 0.000 0.516 362 L N 1.392 122.633 121.223 0.030 0.000 2.046 362 L HA -0.077 4.270 4.340 0.012 0.000 0.208 362 L C 2.531 179.429 176.870 0.046 0.000 1.077 362 L CA 1.853 56.712 54.840 0.033 0.000 0.747 362 L CB -0.909 41.160 42.059 0.016 0.000 0.896 362 L HN 0.179 nan 8.230 nan 0.000 0.432 363 A N -0.385 122.447 122.820 0.020 0.000 1.908 363 A HA -0.228 4.099 4.320 0.012 0.000 0.218 363 A C 2.430 180.113 177.584 0.165 0.000 1.181 363 A CA 1.866 53.972 52.037 0.115 0.000 0.627 363 A CB -0.576 18.537 19.000 0.189 0.000 0.818 363 A HN 0.519 nan 8.150 nan 0.000 0.445 364 R N -1.183 119.388 120.500 0.118 0.000 2.096 364 R HA -0.083 4.264 4.340 0.012 0.000 0.235 364 R C 2.340 178.735 176.300 0.158 0.000 1.127 364 R CA 1.179 57.372 56.100 0.154 0.000 0.968 364 R CB -0.246 30.128 30.300 0.125 0.000 0.861 364 R HN 0.304 nan 8.270 nan 0.000 0.440 365 R N 1.082 121.665 120.500 0.137 0.000 2.075 365 R HA -0.085 4.263 4.340 0.012 0.000 0.232 365 R C 1.983 178.411 176.300 0.214 0.000 1.126 365 R CA 1.293 57.481 56.100 0.147 0.000 0.963 365 R CB -0.513 29.855 30.300 0.113 0.000 0.858 365 R HN 0.427 nan 8.270 nan 0.000 0.435 366 E N 0.258 120.602 120.200 0.241 0.000 2.085 366 E HA -0.168 4.189 4.350 0.012 0.000 0.194 366 E C 2.086 178.960 176.600 0.457 0.000 0.994 366 E CA 1.275 57.925 56.400 0.416 0.000 0.801 366 E CB -0.225 29.672 29.700 0.329 0.000 0.743 366 E HN 0.269 nan 8.360 nan 0.000 0.453 367 I N 0.709 121.488 120.570 0.348 0.000 2.163 367 I HA -0.266 3.911 4.170 0.012 0.000 0.240 367 I C 2.380 178.632 176.117 0.225 0.000 1.081 367 I CA 1.090 62.583 61.300 0.322 0.000 1.353 367 I CB -0.168 38.047 38.000 0.358 0.000 1.054 367 I HN 0.062 nan 8.210 nan 0.000 0.407 368 I N -0.187 120.496 120.570 0.190 0.000 2.252 368 I HA -0.230 3.947 4.170 0.012 0.000 0.245 368 I C 2.467 178.660 176.117 0.128 0.000 1.102 368 I CA 1.024 62.403 61.300 0.132 0.000 1.385 368 I CB -0.244 37.823 38.000 0.112 0.000 1.064 368 I HN 0.007 nan 8.210 nan 0.000 0.414 369 V N 0.392 120.406 119.914 0.168 0.000 2.343 369 V HA -0.294 3.833 4.120 0.012 0.000 0.247 369 V C 2.486 178.662 176.094 0.138 0.000 1.051 369 V CA 2.446 64.844 62.300 0.164 0.000 1.036 369 V CB -0.950 31.008 31.823 0.225 0.000 0.654 369 V HN 0.469 nan 8.190 nan 0.000 0.451 370 T N 0.502 115.146 114.554 0.150 0.000 2.674 370 T HA -0.141 4.216 4.350 0.012 0.000 0.265 370 T C 1.885 176.603 174.700 0.030 0.000 1.039 370 T CA 1.669 63.801 62.100 0.053 0.000 1.150 370 T CB -0.312 68.595 68.868 0.064 0.000 0.864 370 T HN 0.299 nan 8.240 nan 0.000 0.427 371 L N 0.447 121.696 121.223 0.042 0.000 2.046 371 L HA -0.110 4.237 4.340 0.012 0.000 0.208 371 L C 2.734 179.642 176.870 0.063 0.000 1.077 371 L CA 1.429 56.286 54.840 0.027 0.000 0.747 371 L CB -0.512 41.557 42.059 0.016 0.000 0.896 371 L HN 0.219 nan 8.230 nan 0.000 0.432 372 K N -0.308 120.128 120.400 0.060 0.000 2.026 372 K HA -0.161 4.166 4.320 0.012 0.000 0.208 372 K C 2.089 178.718 176.600 0.048 0.000 1.048 372 K CA 1.131 57.450 56.287 0.053 0.000 0.929 372 K CB -0.074 32.457 32.500 0.051 0.000 0.713 372 K HN 0.243 nan 8.250 nan 0.000 0.439 373 E N 0.119 120.348 120.200 0.049 0.000 2.072 373 E HA -0.173 4.185 4.350 0.012 0.000 0.190 373 E C 1.673 178.259 176.600 -0.023 0.000 0.982 373 E CA 0.648 57.056 56.400 0.014 0.000 0.803 373 E CB -0.208 29.507 29.700 0.025 0.000 0.755 373 E HN 0.447 nan 8.360 nan 0.000 0.453 374 W N 1.497 122.688 121.300 -0.182 0.000 2.355 374 W HA -0.105 4.562 4.660 0.011 0.000 0.309 374 W C 1.862 178.273 176.519 -0.179 0.000 1.206 374 W CA 0.974 58.158 57.345 -0.269 0.000 1.284 374 W CB -0.372 28.850 29.460 -0.397 0.000 1.145 374 W HN 0.029 nan 8.180 nan 0.000 0.502 375 L N 0.141 121.484 121.223 0.200 0.000 2.201 375 L HA -0.204 4.143 4.340 0.012 0.000 0.212 375 L C 2.341 179.241 176.870 0.049 0.000 1.105 375 L CA 1.519 56.463 54.840 0.173 0.000 0.775 375 L CB -1.060 41.090 42.059 0.152 0.000 0.913 375 L HN -0.152 nan 8.230 nan 0.000 0.440 376 T N -0.987 113.564 114.554 -0.005 0.000 2.857 376 T HA -0.051 4.306 4.350 0.012 0.000 0.266 376 T C 2.007 176.652 174.700 -0.092 0.000 1.048 376 T CA 0.891 62.970 62.100 -0.035 0.000 1.139 376 T CB 0.056 68.906 68.868 -0.029 0.000 0.874 376 T HN 0.228 nan 8.240 nan 0.000 0.455 377 R N 0.344 120.734 120.500 -0.184 0.000 2.146 377 R HA 0.325 4.672 4.340 0.012 0.000 0.206 377 R C 0.718 176.805 176.300 -0.354 0.000 1.049 377 R CA 0.591 56.533 56.100 -0.263 0.000 1.029 377 R CB 0.166 30.258 30.300 -0.347 0.000 0.949 377 R HN 0.367 nan 8.270 nan 0.000 0.471 378 I N 2.991 123.266 120.570 -0.491 0.000 2.862 378 I HA 0.173 4.350 4.170 0.012 0.000 0.285 378 I C -1.833 174.241 176.117 -0.071 0.000 1.339 378 I CA -1.444 59.534 61.300 -0.537 0.000 1.002 378 I CB 2.070 39.277 38.000 -1.322 0.000 1.618 378 I HN -0.180 nan 8.210 nan 0.000 0.593 379 P HA -0.082 nan 4.420 nan 0.000 0.221 379 P C 0.210 177.613 177.300 0.172 0.000 1.150 379 P CA 1.209 64.392 63.100 0.140 0.000 0.800 379 P CB 0.364 32.096 31.700 0.053 0.000 0.787 380 D N 0.072 120.578 120.400 0.177 0.000 2.462 380 D HA 0.372 5.019 4.640 0.012 0.000 0.245 380 D C -0.941 175.529 176.300 0.283 0.000 1.122 380 D CA -0.816 53.248 54.000 0.106 0.000 0.864 380 D CB 0.377 41.225 40.800 0.081 0.000 1.098 380 D HN -0.071 nan 8.370 nan 0.000 0.541 381 F N 0.340 120.373 119.950 0.138 0.000 2.662 381 F HA 0.805 5.338 4.527 0.011 0.000 0.312 381 F C -0.935 174.946 175.800 0.136 0.000 1.113 381 F CA -0.923 57.214 58.000 0.228 0.000 0.951 381 F CB 1.230 40.418 39.000 0.314 0.000 1.344 381 F HN 0.025 nan 8.300 nan 0.000 0.462 382 S N 1.213 117.115 115.700 0.337 0.000 2.651 382 S HA 0.617 5.095 4.470 0.012 0.000 0.279 382 S C -0.999 173.726 174.600 0.207 0.000 1.148 382 S CA -0.800 57.491 58.200 0.152 0.000 0.837 382 S CB 1.792 65.043 63.200 0.085 0.000 1.138 382 S HN 0.586 nan 8.310 nan 0.000 0.478 383 I N 2.143 122.779 120.570 0.110 0.000 2.648 383 I HA 0.138 4.315 4.170 0.012 0.000 0.284 383 I C 1.081 177.247 176.117 0.082 0.000 1.153 383 I CA -0.207 61.149 61.300 0.093 0.000 1.426 383 I CB -0.191 37.837 38.000 0.047 0.000 1.381 383 I HN 0.822 nan 8.210 nan 0.000 0.571 384 A N 8.949 131.816 122.820 0.078 0.000 2.565 384 A HA 0.218 4.545 4.320 0.012 0.000 0.237 384 A C -2.047 175.556 177.584 0.033 0.000 1.053 384 A CA -0.709 51.358 52.037 0.050 0.000 0.755 384 A CB -0.944 18.079 19.000 0.038 0.000 0.980 384 A HN 0.516 nan 8.150 nan 0.000 0.506 385 P HA 0.194 nan 4.420 nan 0.000 0.260 385 P C 1.111 178.419 177.300 0.012 0.000 1.172 385 P CA 1.943 65.052 63.100 0.015 0.000 0.760 385 P CB 0.433 32.138 31.700 0.008 0.000 0.773 386 G N 2.023 110.830 108.800 0.012 0.000 2.199 386 G HA2 -0.199 3.768 3.960 0.012 0.000 0.254 386 G HA3 -0.199 3.768 3.960 0.012 0.000 0.254 386 G C 0.418 175.325 174.900 0.012 0.000 0.982 386 G CA 0.009 45.115 45.100 0.010 0.000 0.632 386 G HN 0.865 nan 8.290 nan 0.000 0.529 387 A N 0.020 122.850 122.820 0.017 0.000 2.354 387 A HA 0.710 5.037 4.320 0.012 0.000 0.269 387 A C 0.305 177.900 177.584 0.017 0.000 1.109 387 A CA 0.179 52.228 52.037 0.020 0.000 0.800 387 A CB 0.455 19.472 19.000 0.029 0.000 1.045 387 A HN 0.461 nan 8.150 nan 0.000 0.489 388 Q N 1.725 121.534 119.800 0.015 0.000 2.333 388 Q HA 0.371 4.718 4.340 0.012 0.000 0.268 388 Q C -0.845 175.163 176.000 0.012 0.000 1.007 388 Q CA -0.754 55.055 55.803 0.009 0.000 0.810 388 Q CB 1.864 30.605 28.738 0.005 0.000 1.264 388 Q HN 0.629 nan 8.270 nan 0.000 0.452 389 I N 3.044 123.619 120.570 0.009 0.000 2.496 389 I HA 0.063 4.240 4.170 0.012 0.000 0.285 389 I C 0.257 176.376 176.117 0.004 0.000 1.080 389 I CA 0.011 61.326 61.300 0.025 0.000 1.404 389 I CB 0.512 38.543 38.000 0.052 0.000 1.403 389 I HN 0.451 nan 8.210 nan 0.000 0.539 390 Q N 6.119 125.955 119.800 0.060 0.000 2.293 390 Q HA 0.430 4.777 4.340 0.012 0.000 0.261 390 Q C -0.470 175.658 176.000 0.212 0.000 0.960 390 Q CA -0.378 55.471 55.803 0.076 0.000 0.882 390 Q CB 1.877 30.654 28.738 0.065 0.000 1.275 390 Q HN 0.570 nan 8.270 nan 0.000 0.445 391 H N 0.676 119.803 119.070 0.095 0.000 2.544 391 H HA 0.494 5.057 4.556 0.012 0.000 0.342 391 H C -0.027 175.375 175.328 0.123 0.000 1.185 391 H CA -0.844 55.285 56.048 0.134 0.000 1.264 391 H CB 1.843 31.752 29.762 0.245 0.000 1.607 391 H HN 0.418 nan 8.280 nan 0.000 0.550 392 K N 0.169 120.716 120.400 0.246 0.000 2.435 392 K HA 0.573 4.900 4.320 0.012 0.000 0.251 392 K C -1.260 175.478 176.600 0.231 0.000 0.954 392 K CA -0.913 55.488 56.287 0.189 0.000 0.820 392 K CB 2.516 35.085 32.500 0.116 0.000 1.292 392 K HN 0.376 nan 8.250 nan 0.000 0.436 393 S N 0.236 116.078 115.700 0.237 0.000 2.513 393 S HA 0.892 5.369 4.470 0.012 0.000 0.299 393 S C -0.581 174.161 174.600 0.237 0.000 1.087 393 S CA 0.226 58.609 58.200 0.304 0.000 1.012 393 S CB 1.432 64.854 63.200 0.371 0.000 1.044 393 S HN 1.058 nan 8.310 nan 0.000 0.485 394 G N 2.685 111.600 108.800 0.192 0.000 2.392 394 G HA2 0.201 4.168 3.960 0.012 0.000 0.260 394 G HA3 0.201 4.168 3.960 0.012 0.000 0.260 394 G C 0.282 175.165 174.900 -0.029 0.000 1.226 394 G CA -0.258 44.846 45.100 0.007 0.000 0.913 394 G HN 0.612 nan 8.290 nan 0.000 0.483 395 I N 0.029 120.574 120.570 -0.041 0.000 2.226 395 I HA -0.001 4.176 4.170 0.012 0.000 0.245 395 I C 0.524 176.600 176.117 -0.068 0.000 1.100 395 I CA 1.215 62.465 61.300 -0.083 0.000 1.374 395 I CB -0.116 37.759 38.000 -0.208 0.000 1.057 395 I HN 0.024 nan 8.210 nan 0.000 0.413 396 V N 1.008 120.902 119.914 -0.033 0.000 2.349 396 V HA 0.248 4.375 4.120 0.012 0.000 0.284 396 V C 0.031 176.148 176.094 0.039 0.000 1.014 396 V CA -0.569 61.727 62.300 -0.007 0.000 0.826 396 V CB 1.151 32.978 31.823 0.006 0.000 1.009 396 V HN 0.086 nan 8.190 nan 0.000 0.431 397 S N 2.748 118.479 115.700 0.053 0.000 2.600 397 S HA 0.811 5.288 4.470 0.012 0.000 0.265 397 S C 0.585 175.312 174.600 0.211 0.000 1.325 397 S CA 0.305 58.594 58.200 0.149 0.000 1.002 397 S CB 1.530 64.807 63.200 0.128 0.000 0.921 397 S HN 1.138 nan 8.310 nan 0.000 0.554 398 G N -0.386 108.490 108.800 0.128 0.000 2.554 398 G HA2 0.525 4.492 3.960 0.012 0.000 0.306 398 G HA3 0.525 4.492 3.960 0.012 0.000 0.306 398 G C -1.921 172.705 174.900 -0.457 0.000 1.320 398 G CA -0.509 44.416 45.100 -0.292 0.000 0.800 398 G HN 0.628 nan 8.290 nan 0.000 0.481 399 V N 1.391 120.991 119.914 -0.524 0.000 2.448 399 V HA 0.308 4.435 4.120 0.012 0.000 0.295 399 V C 0.826 176.855 176.094 -0.109 0.000 1.025 399 V CA -0.551 61.564 62.300 -0.308 0.000 0.859 399 V CB 1.567 33.144 31.823 -0.409 0.000 0.988 399 V HN 0.768 nan 8.190 nan 0.000 0.431 400 Q N 2.846 122.645 119.800 -0.001 0.000 2.079 400 Q HA 0.124 4.471 4.340 0.012 0.000 0.200 400 Q C 0.639 176.644 176.000 0.008 0.000 0.974 400 Q CA 1.412 57.223 55.803 0.012 0.000 0.840 400 Q CB 0.365 29.128 28.738 0.042 0.000 0.898 400 Q HN 0.892 nan 8.270 nan 0.000 0.430 401 A N -0.110 122.722 122.820 0.020 0.000 2.605 401 A HA 0.530 4.857 4.320 0.012 0.000 0.294 401 A C -1.833 175.777 177.584 0.043 0.000 1.062 401 A CA -0.606 51.449 52.037 0.029 0.000 0.682 401 A CB 1.213 20.233 19.000 0.033 0.000 1.278 401 A HN 0.094 nan 8.150 nan 0.000 0.410 402 L N 2.584 123.846 121.223 0.065 0.000 2.480 402 L HA 0.476 4.823 4.340 0.012 0.000 0.253 402 L C -2.597 174.338 176.870 0.109 0.000 1.324 402 L CA -1.566 53.321 54.840 0.077 0.000 0.916 402 L CB 1.612 43.715 42.059 0.073 0.000 1.160 402 L HN 0.427 nan 8.230 nan 0.000 0.503 403 P HA 0.188 nan 4.420 nan 0.000 0.270 403 P C -0.868 176.510 177.300 0.132 0.000 1.242 403 P CA 0.259 63.420 63.100 0.102 0.000 0.768 403 P CB 0.685 32.424 31.700 0.065 0.000 0.820 404 L N 4.095 125.440 121.223 0.203 0.000 2.330 404 L HA 0.734 5.081 4.340 0.012 0.000 0.271 404 L C 0.539 177.574 176.870 0.275 0.000 1.013 404 L CA -1.238 53.784 54.840 0.303 0.000 0.816 404 L CB 2.120 44.428 42.059 0.414 0.000 1.287 404 L HN 0.202 nan 8.230 nan 0.000 0.435 405 V N -1.427 118.677 119.914 0.316 0.000 3.007 405 V HA 0.795 4.922 4.120 0.012 0.000 0.311 405 V C -1.649 174.686 176.094 0.402 0.000 1.120 405 V CA -0.620 61.740 62.300 0.101 0.000 0.980 405 V CB 1.766 33.590 31.823 0.001 0.000 1.033 405 V HN 0.968 nan 8.190 nan 0.000 0.429 406 W N 0.575 121.954 121.300 0.132 0.000 3.066 406 W HA 0.752 5.420 4.660 0.013 0.000 0.330 406 W C -1.579 174.982 176.519 0.070 0.000 1.253 406 W CA -0.712 56.709 57.345 0.127 0.000 1.187 406 W CB 0.975 30.535 29.460 0.166 0.000 1.434 406 W HN 0.670 nan 8.180 nan 0.000 0.572 407 D N 2.158 122.718 120.400 0.266 0.000 2.339 407 D HA 0.324 4.971 4.640 0.012 0.000 0.241 407 D C -1.433 175.018 176.300 0.253 0.000 1.183 407 D CA -2.478 51.611 54.000 0.149 0.000 0.859 407 D CB 1.787 42.654 40.800 0.111 0.000 1.067 407 D HN 0.061 nan 8.370 nan 0.000 0.484 408 P HA -0.088 nan 4.420 nan 0.000 0.223 408 P C 0.785 178.167 177.300 0.136 0.000 1.144 408 P CA 0.865 64.103 63.100 0.231 0.000 0.783 408 P CB 0.212 31.987 31.700 0.125 0.000 0.771 409 A N -0.529 122.350 122.820 0.098 0.000 2.066 409 A HA -0.091 4.236 4.320 0.012 0.000 0.218 409 A C 2.005 179.627 177.584 0.063 0.000 1.157 409 A CA 1.853 53.928 52.037 0.064 0.000 0.670 409 A CB -1.492 17.536 19.000 0.046 0.000 0.804 409 A HN 0.336 nan 8.150 nan 0.000 0.453 410 T N -2.451 112.156 114.554 0.089 0.000 3.107 410 T HA 0.159 4.516 4.350 0.012 0.000 0.249 410 T C 0.851 175.579 174.700 0.048 0.000 1.096 410 T CA 0.714 62.857 62.100 0.071 0.000 1.012 410 T CB -0.783 68.139 68.868 0.091 0.000 0.977 410 T HN 0.500 nan 8.240 nan 0.000 0.527 411 T N 0.105 114.687 114.554 0.048 0.000 2.897 411 T HA 0.627 4.984 4.350 0.012 0.000 0.278 411 T C -0.760 173.925 174.700 -0.026 0.000 0.981 411 T CA -1.000 61.086 62.100 -0.023 0.000 0.973 411 T CB 1.576 70.417 68.868 -0.044 0.000 1.092 411 T HN 0.576 nan 8.240 nan 0.000 0.543 412 K N -0.144 120.219 120.400 -0.062 0.000 2.553 412 K HA 0.676 5.003 4.320 0.012 0.000 0.250 412 K C -1.006 175.557 176.600 -0.062 0.000 0.953 412 K CA -1.148 55.112 56.287 -0.045 0.000 0.800 412 K CB 1.863 34.343 32.500 -0.033 0.000 1.243 412 K HN 0.718 nan 8.250 nan 0.000 0.435 413 A N 3.485 126.280 122.820 -0.042 0.000 2.444 413 A HA 0.358 4.685 4.320 0.012 0.000 0.287 413 A C 0.113 177.675 177.584 -0.035 0.000 1.195 413 A CA -0.360 51.651 52.037 -0.042 0.000 0.858 413 A CB -0.117 18.869 19.000 -0.024 0.000 1.117 413 A HN 0.509 nan 8.150 nan 0.000 0.521 414 V N 0.000 119.887 119.914 -0.044 0.000 2.409 414 V HA 0.000 4.127 4.120 0.012 0.000 0.244 414 V CA 0.000 62.281 62.300 -0.031 0.000 1.235 414 V CB 0.000 31.801 31.823 -0.036 0.000 1.184 414 V HN 0.000 nan 8.190 nan 0.000 0.556