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 1dz9_1_B 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 HRQELIQRPE RIPAACEELL RRFSLVADGR ILTSDYEFHG DATA SEQUENCE VQLKKGDQIL LPQMLSGLDE RENACPMHVD 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 0.000 175.500 175.510 -0.017 0.000 1.280 10 N CA 0.000 53.041 53.050 -0.014 0.000 0.885 10 N CB 0.000 38.476 38.487 -0.018 0.000 1.341 11 L N 1.737 122.950 121.223 -0.016 0.000 2.276 11 L HA 0.817 5.160 4.340 0.005 0.000 0.286 11 L C 0.574 177.452 176.870 0.013 0.000 1.061 11 L CA -1.116 53.717 54.840 -0.012 0.000 0.807 11 L CB 0.742 42.790 42.059 -0.018 0.000 1.177 11 L HN 0.360 nan 8.230 nan 0.000 0.429 12 A N 6.357 129.197 122.820 0.034 0.000 2.371 12 A HA 0.611 4.934 4.320 0.005 0.000 0.257 12 A C -2.165 175.462 177.584 0.073 0.000 1.089 12 A CA -1.057 51.017 52.037 0.061 0.000 0.794 12 A CB -0.471 18.587 19.000 0.096 0.000 1.029 12 A HN 0.587 nan 8.150 nan 0.000 0.488 13 P HA 0.101 nan 4.420 nan 0.000 0.264 13 P C -0.341 176.970 177.300 0.018 0.000 1.193 13 P CA -0.167 62.948 63.100 0.025 0.000 0.763 13 P CB 0.261 31.970 31.700 0.014 0.000 0.810 14 L N 7.366 128.570 121.223 -0.032 0.000 2.584 14 L HA 0.150 4.493 4.340 0.005 0.000 0.272 14 L C -1.985 174.744 176.870 -0.234 0.000 1.195 14 L CA -1.121 53.623 54.840 -0.159 0.000 0.920 14 L CB -0.792 41.158 42.059 -0.182 0.000 1.173 14 L HN 0.340 nan 8.230 nan 0.000 0.489 15 P HA 0.127 nan 4.420 nan 0.000 0.269 15 P C -2.136 174.999 177.300 -0.275 0.000 1.217 15 P CA -0.865 62.068 63.100 -0.277 0.000 0.783 15 P CB 0.109 31.579 31.700 -0.384 0.000 0.898 16 P HA -0.178 nan 4.420 nan 0.000 0.218 16 P C 1.241 178.510 177.300 -0.053 0.000 1.149 16 P CA 1.386 64.450 63.100 -0.060 0.000 0.817 16 P CB -0.379 31.329 31.700 0.013 0.000 0.785 17 H N -1.813 117.197 119.070 -0.101 0.000 2.547 17 H HA 0.083 4.642 4.556 0.005 0.000 0.272 17 H C 0.126 175.420 175.328 -0.057 0.000 0.989 17 H CA 0.349 56.365 56.048 -0.053 0.000 1.214 17 H CB -0.805 28.956 29.762 -0.001 0.000 1.389 17 H HN -0.079 nan 8.280 nan 0.000 0.577 18 V N 4.462 123.951 119.914 -0.708 0.000 2.461 18 V HA 0.184 4.307 4.120 0.005 0.000 0.275 18 V C -2.025 173.876 176.094 -0.321 0.000 1.047 18 V CA -1.590 60.332 62.300 -0.630 0.000 0.955 18 V CB 1.323 32.321 31.823 -1.375 0.000 0.988 18 V HN 0.232 nan 8.190 nan 0.000 0.471 19 P HA 0.213 nan 4.420 nan 0.000 0.271 19 P C 0.375 177.617 177.300 -0.097 0.000 1.220 19 P CA -0.220 62.847 63.100 -0.055 0.000 0.768 19 P CB 0.884 32.577 31.700 -0.011 0.000 0.848 20 E N 1.432 121.629 120.200 -0.004 0.000 2.130 20 E HA -0.246 4.107 4.350 0.005 0.000 0.196 20 E C 1.715 178.347 176.600 0.053 0.000 0.998 20 E CA 1.491 57.895 56.400 0.007 0.000 0.806 20 E CB -0.620 29.105 29.700 0.041 0.000 0.738 20 E HN 0.627 nan 8.360 nan 0.000 0.459 21 H N -0.306 118.777 119.070 0.021 0.000 2.546 21 H HA 0.034 4.593 4.556 0.006 0.000 0.277 21 H C 1.301 176.676 175.328 0.078 0.000 1.004 21 H CA 0.695 56.769 56.048 0.043 0.000 1.231 21 H CB -0.145 29.638 29.762 0.035 0.000 1.382 21 H HN 0.206 nan 8.280 nan 0.000 0.580 22 L N 1.468 122.503 121.223 -0.314 0.000 2.667 22 L HA 0.198 4.541 4.340 0.005 0.000 0.232 22 L C 0.172 177.083 176.870 0.069 0.000 1.138 22 L CA -0.313 54.453 54.840 -0.122 0.000 0.921 22 L CB 0.735 42.725 42.059 -0.115 0.000 1.180 22 L HN -0.032 nan 8.230 nan 0.000 0.487 23 V N 0.850 120.807 119.914 0.072 0.000 2.572 23 V HA 0.020 4.143 4.120 0.005 0.000 0.291 23 V C -0.527 175.674 176.094 0.178 0.000 1.039 23 V CA 0.332 62.710 62.300 0.130 0.000 1.055 23 V CB 0.950 32.818 31.823 0.075 0.000 0.969 23 V HN 0.131 nan 8.190 nan 0.000 0.482 24 F N 4.111 124.066 119.950 0.009 0.000 3.164 24 F HA 0.380 4.910 4.527 0.005 0.000 0.375 24 F C -0.001 175.783 175.800 -0.027 0.000 1.257 24 F CA -0.788 57.209 58.000 -0.005 0.000 1.171 24 F CB 1.248 40.242 39.000 -0.009 0.000 1.588 24 F HN 0.523 nan 8.300 nan 0.000 0.604 25 D N 6.388 126.626 120.400 -0.271 0.000 2.671 25 D HA 0.000 4.644 4.640 0.005 0.000 0.228 25 D C -0.166 176.041 176.300 -0.154 0.000 1.102 25 D CA 0.344 54.236 54.000 -0.179 0.000 1.044 25 D CB -0.109 40.585 40.800 -0.176 0.000 1.113 25 D HN 0.283 nan 8.370 nan 0.000 0.480 26 F N 1.838 121.700 119.950 -0.147 0.000 2.495 26 F HA 0.070 4.601 4.527 0.005 0.000 0.365 26 F C 0.580 176.263 175.800 -0.196 0.000 1.090 26 F CA -0.418 57.509 58.000 -0.122 0.000 1.235 26 F CB 0.796 39.797 39.000 0.001 0.000 1.119 26 F HN -0.082 nan 8.300 nan 0.000 0.562 27 D N 7.050 127.000 120.400 -0.750 0.000 2.427 27 D HA 0.113 4.756 4.640 0.005 0.000 0.226 27 D C 0.766 176.586 176.300 -0.799 0.000 1.076 27 D CA -0.478 53.211 54.000 -0.519 0.000 0.849 27 D CB 0.977 41.583 40.800 -0.325 0.000 1.052 27 D HN 0.719 nan 8.370 nan 0.000 0.515 28 M N 1.933 121.257 119.600 -0.459 0.000 2.557 28 M HA -0.019 4.465 4.480 0.005 0.000 0.259 28 M C 0.045 176.095 176.300 -0.417 0.000 1.086 28 M CA 1.051 56.060 55.300 -0.485 0.000 1.096 28 M CB -0.047 32.435 32.600 -0.197 0.000 1.424 28 M HN 0.182 nan 8.290 nan 0.000 0.488 29 Y N 0.587 120.829 120.300 -0.096 0.000 2.458 29 Y HA 0.317 4.871 4.550 0.007 0.000 0.254 29 Y C 0.520 176.387 175.900 -0.056 0.000 1.120 29 Y CA -0.066 58.022 58.100 -0.020 0.000 1.282 29 Y CB 0.533 38.987 38.460 -0.011 0.000 1.109 29 Y HN 0.454 nan 8.280 nan 0.000 0.526 30 N N 0.842 119.500 118.700 -0.070 0.000 2.732 30 N HA 0.114 4.857 4.740 0.005 0.000 0.230 30 N C -3.263 172.102 175.510 -0.241 0.000 1.487 30 N CA -1.125 51.874 53.050 -0.085 0.000 0.765 30 N CB 0.970 39.435 38.487 -0.037 0.000 1.384 30 N HN -0.190 nan 8.380 nan 0.000 0.530 31 P HA 0.071 nan 4.420 nan 0.000 0.271 31 P C 0.969 178.116 177.300 -0.254 0.000 1.216 31 P CA -0.013 62.753 63.100 -0.556 0.000 0.776 31 P CB 1.388 32.706 31.700 -0.638 0.000 0.881 32 S N 1.454 117.020 115.700 -0.223 0.000 2.419 32 S HA -0.184 4.289 4.470 0.005 0.000 0.233 32 S C 1.210 175.790 174.600 -0.034 0.000 1.016 32 S CA 0.957 59.095 58.200 -0.103 0.000 0.974 32 S CB -0.882 62.261 63.200 -0.096 0.000 0.786 32 S HN 0.668 nan 8.310 nan 0.000 0.492 33 N N 0.365 119.071 118.700 0.010 0.000 2.378 33 N HA 0.106 4.849 4.740 0.005 0.000 0.243 33 N C 1.076 176.625 175.510 0.066 0.000 1.137 33 N CA -0.145 52.933 53.050 0.048 0.000 0.862 33 N CB -0.056 38.479 38.487 0.080 0.000 1.116 33 N HN 0.240 nan 8.380 nan 0.000 0.499 34 L N 1.250 122.505 121.223 0.053 0.000 2.127 34 L HA -0.164 4.179 4.340 0.005 0.000 0.211 34 L C 2.353 179.268 176.870 0.075 0.000 1.089 34 L CA 1.742 56.637 54.840 0.091 0.000 0.757 34 L CB -0.779 41.326 42.059 0.076 0.000 0.899 34 L HN 0.326 nan 8.230 nan 0.000 0.434 35 S N -1.513 114.210 115.700 0.039 0.000 2.507 35 S HA 0.015 4.488 4.470 0.005 0.000 0.235 35 S C 1.835 176.437 174.600 0.003 0.000 0.988 35 S CA 0.545 58.752 58.200 0.011 0.000 0.944 35 S CB -0.551 62.655 63.200 0.010 0.000 0.762 35 S HN 0.432 nan 8.310 nan 0.000 0.526 36 A N 0.867 123.708 122.820 0.036 0.000 2.218 36 A HA 0.617 4.940 4.320 0.005 0.000 0.209 36 A C 1.140 178.763 177.584 0.064 0.000 1.168 36 A CA 0.273 52.338 52.037 0.047 0.000 0.804 36 A CB -0.480 18.561 19.000 0.068 0.000 0.834 36 A HN 1.502 nan 8.150 nan 0.000 0.482 37 G N -2.029 106.815 108.800 0.073 0.000 2.801 37 G HA2 0.152 4.115 3.960 0.005 0.000 0.648 37 G HA3 0.152 4.115 3.960 0.005 0.000 0.648 37 G C 0.289 175.400 174.900 0.352 0.000 1.415 37 G CA -0.135 45.084 45.100 0.200 0.000 0.887 37 G HN 0.797 nan 8.290 nan 0.000 0.627 38 V N 1.793 122.076 119.914 0.616 0.000 2.427 38 V HA -0.129 3.994 4.120 0.005 0.000 0.248 38 V C 2.609 178.906 176.094 0.340 0.000 1.051 38 V CA 3.260 65.826 62.300 0.443 0.000 1.048 38 V CB -0.182 31.878 31.823 0.395 0.000 0.666 38 V HN 0.795 nan 8.190 nan 0.000 0.456 39 Q N 0.047 119.935 119.800 0.145 0.000 2.084 39 Q HA -0.205 4.139 4.340 0.005 0.000 0.202 39 Q C 2.118 178.199 176.000 0.136 0.000 0.978 39 Q CA 2.252 58.080 55.803 0.041 0.000 0.844 39 Q CB -0.300 28.372 28.738 -0.109 0.000 0.898 39 Q HN 0.702 nan 8.270 nan 0.000 0.426 40 E N 0.152 120.439 120.200 0.144 0.000 2.085 40 E HA -0.171 4.182 4.350 0.005 0.000 0.194 40 E C 1.818 178.524 176.600 0.177 0.000 0.994 40 E CA 1.294 57.770 56.400 0.127 0.000 0.801 40 E CB -0.371 29.399 29.700 0.117 0.000 0.743 40 E HN 0.409 nan 8.360 nan 0.000 0.453 41 A N -0.025 122.942 122.820 0.244 0.000 1.902 41 A HA -0.179 4.144 4.320 0.005 0.000 0.217 41 A C 1.789 179.578 177.584 0.341 0.000 1.181 41 A CA 1.420 53.610 52.037 0.256 0.000 0.623 41 A CB -1.019 18.120 19.000 0.231 0.000 0.818 41 A HN 0.382 nan 8.150 nan 0.000 0.443 42 W N -0.422 121.000 121.300 0.204 0.000 2.467 42 W HA 0.161 4.823 4.660 0.004 0.000 0.275 42 W C 2.504 178.989 176.519 -0.057 0.000 1.239 42 W CA 0.910 58.328 57.345 0.123 0.000 1.266 42 W CB -0.193 29.288 29.460 0.035 0.000 1.112 42 W HN 0.365 nan 8.180 nan 0.000 0.576 43 A N 0.387 123.312 122.820 0.175 0.000 2.209 43 A HA -0.029 4.294 4.320 0.005 0.000 0.212 43 A C 1.978 179.567 177.584 0.008 0.000 1.158 43 A CA 1.386 53.449 52.037 0.043 0.000 0.742 43 A CB -1.129 17.882 19.000 0.018 0.000 0.790 43 A HN 0.245 nan 8.150 nan 0.000 0.472 44 V N -2.076 117.874 119.914 0.060 0.000 2.720 44 V HA -0.193 3.930 4.120 0.005 0.000 0.256 44 V C 1.936 177.978 176.094 -0.087 0.000 1.082 44 V CA 1.920 64.259 62.300 0.065 0.000 1.101 44 V CB -0.908 31.037 31.823 0.204 0.000 0.693 44 V HN 0.469 nan 8.190 nan 0.000 0.479 45 L N -0.323 120.749 121.223 -0.252 0.000 2.353 45 L HA -0.089 4.255 4.340 0.005 0.000 0.220 45 L C 2.541 179.205 176.870 -0.344 0.000 1.133 45 L CA 1.517 56.064 54.840 -0.489 0.000 0.798 45 L CB -0.402 41.342 42.059 -0.525 0.000 0.922 45 L HN 0.437 nan 8.230 nan 0.000 0.445 46 Q N -0.770 118.910 119.800 -0.199 0.000 2.198 46 Q HA 0.130 4.473 4.340 0.005 0.000 0.209 46 Q C -0.028 175.909 176.000 -0.105 0.000 0.848 46 Q CA -0.201 55.514 55.803 -0.145 0.000 0.974 46 Q CB 0.640 29.312 28.738 -0.109 0.000 1.115 46 Q HN 0.477 nan 8.270 nan 0.000 0.494 47 E N -0.087 120.055 120.200 -0.096 0.000 2.397 47 E HA 0.083 4.437 4.350 0.005 0.000 0.254 47 E C 0.594 177.166 176.600 -0.047 0.000 1.231 47 E CA -0.202 56.170 56.400 -0.046 0.000 0.954 47 E CB 0.720 30.420 29.700 0.000 0.000 1.024 47 E HN -0.048 nan 8.360 nan 0.000 0.481 48 S N 0.394 116.081 115.700 -0.021 0.000 2.387 48 S HA -0.181 4.292 4.470 0.005 0.000 0.230 48 S C 0.871 175.462 174.600 -0.015 0.000 1.035 48 S CA 1.568 59.756 58.200 -0.019 0.000 1.014 48 S CB -0.240 62.957 63.200 -0.006 0.000 0.836 48 S HN 0.392 nan 8.310 nan 0.000 0.466 49 N N 0.208 118.909 118.700 0.003 0.000 2.380 49 N HA 0.216 4.959 4.740 0.005 0.000 0.255 49 N C -1.317 174.199 175.510 0.011 0.000 1.158 49 N CA -0.201 52.859 53.050 0.016 0.000 0.878 49 N CB 1.190 39.700 38.487 0.039 0.000 1.138 49 N HN 0.041 nan 8.380 nan 0.000 0.509 50 V N 2.067 121.950 119.914 -0.051 0.000 2.370 50 V HA 0.332 4.455 4.120 0.005 0.000 0.279 50 V C -1.838 174.188 176.094 -0.112 0.000 1.029 50 V CA -1.805 60.415 62.300 -0.133 0.000 0.870 50 V CB 1.000 32.620 31.823 -0.338 0.000 0.984 50 V HN 0.086 nan 8.190 nan 0.000 0.451 51 P HA 0.104 nan 4.420 nan 0.000 0.269 51 P C 0.401 177.648 177.300 -0.087 0.000 1.217 51 P CA -0.205 62.866 63.100 -0.047 0.000 0.783 51 P CB 0.624 32.324 31.700 0.000 0.000 0.898 52 D N -0.270 120.077 120.400 -0.087 0.000 2.182 52 D HA -0.075 4.568 4.640 0.005 0.000 0.201 52 D C 0.516 176.754 176.300 -0.104 0.000 0.986 52 D CA 1.467 55.391 54.000 -0.127 0.000 0.847 52 D CB -0.153 40.535 40.800 -0.186 0.000 0.942 52 D HN 0.095 nan 8.370 nan 0.000 0.467 53 L N 0.636 121.836 121.223 -0.038 0.000 2.406 53 L HA 0.371 4.714 4.340 0.005 0.000 0.272 53 L C -0.750 176.225 176.870 0.176 0.000 0.980 53 L CA -0.984 53.893 54.840 0.062 0.000 0.831 53 L CB 1.898 43.980 42.059 0.037 0.000 1.253 53 L HN -0.139 nan 8.230 nan 0.000 0.406 54 V N 1.738 121.787 119.914 0.226 0.000 3.113 54 V HA 0.677 4.800 4.120 0.005 0.000 0.316 54 V C -1.249 175.070 176.094 0.374 0.000 1.125 54 V CA -0.777 61.673 62.300 0.249 0.000 1.026 54 V CB 2.048 33.925 31.823 0.090 0.000 1.080 54 V HN 0.944 nan 8.190 nan 0.000 0.444 55 W N 1.884 123.168 121.300 -0.025 0.000 2.529 55 W HA 0.651 5.315 4.660 0.006 0.000 0.321 55 W C -0.880 175.504 176.519 -0.225 0.000 1.047 55 W CA -0.227 56.924 57.345 -0.322 0.000 1.216 55 W CB 1.949 31.004 29.460 -0.676 0.000 1.357 55 W HN 0.866 nan 8.180 nan 0.000 0.489 56 T N 5.222 119.276 114.554 -0.832 0.000 2.824 56 T HA 0.373 4.726 4.350 0.005 0.000 0.280 56 T C 0.950 175.152 174.700 -0.830 0.000 0.995 56 T CA -0.454 61.269 62.100 -0.629 0.000 1.009 56 T CB 1.093 69.654 68.868 -0.512 0.000 0.955 56 T HN 0.619 nan 8.240 nan 0.000 0.452 57 R N 2.025 122.359 120.500 -0.276 0.000 2.310 57 R HA 0.198 4.541 4.340 0.005 0.000 0.202 57 R C 0.536 176.755 176.300 -0.136 0.000 0.933 57 R CA -0.181 55.856 56.100 -0.105 0.000 1.054 57 R CB -0.318 30.011 30.300 0.049 0.000 0.985 57 R HN 0.533 nan 8.270 nan 0.000 0.489 58 C N 1.097 120.282 119.300 -0.192 0.000 2.580 58 C HA 0.142 4.605 4.460 0.005 0.000 0.371 58 C C 0.826 175.797 174.990 -0.032 0.000 1.308 58 C CA -0.568 58.390 59.018 -0.100 0.000 2.428 58 C CB 0.156 27.834 27.740 -0.104 0.000 2.529 58 C HN 0.668 nan 8.230 nan 0.000 0.657 59 N N 0.443 119.165 118.700 0.037 0.000 2.727 59 N HA -0.138 4.605 4.740 0.005 0.000 0.249 59 N C 0.758 176.323 175.510 0.091 0.000 1.048 59 N CA 0.825 53.936 53.050 0.101 0.000 0.714 59 N CB -1.188 37.425 38.487 0.211 0.000 0.959 59 N HN 1.394 nan 8.380 nan 0.000 0.544 60 G N -1.694 107.136 108.800 0.050 0.000 2.234 60 G HA2 0.034 3.998 3.960 0.005 0.000 0.260 60 G HA3 0.034 3.998 3.960 0.005 0.000 0.260 60 G C 0.618 175.551 174.900 0.055 0.000 0.987 60 G CA 0.460 45.596 45.100 0.060 0.000 0.625 60 G HN 1.674 nan 8.290 nan 0.000 0.532 61 G N -0.945 107.817 108.800 -0.063 0.000 2.895 61 G HA2 0.554 4.517 3.960 0.005 0.000 0.686 61 G HA3 0.554 4.517 3.960 0.005 0.000 0.686 61 G C -0.506 173.955 174.900 -0.732 0.000 1.108 61 G CA 0.618 45.484 45.100 -0.390 0.000 0.761 61 G HN 2.906 nan 8.290 nan 0.000 0.611 62 H N -2.018 116.035 119.070 -1.695 0.000 3.005 62 H HA 0.596 5.155 4.556 0.006 0.000 0.311 62 H C -0.609 174.027 175.328 -1.154 0.000 1.366 62 H CA -1.532 53.775 56.048 -1.235 0.000 1.210 62 H CB -0.012 29.494 29.762 -0.426 0.000 1.894 62 H HN 0.731 nan 8.280 nan 0.000 0.520 63 W N 1.067 122.270 121.300 -0.161 0.000 2.126 63 W HA 0.563 5.226 4.660 0.005 0.000 0.346 63 W C -0.177 176.388 176.519 0.076 0.000 1.279 63 W CA -0.405 56.988 57.345 0.080 0.000 1.259 63 W CB 0.646 30.254 29.460 0.247 0.000 1.133 63 W HN 0.444 nan 8.180 nan 0.000 0.592 64 I N 2.578 123.333 120.570 0.307 0.000 2.534 64 I HA 0.319 4.492 4.170 0.005 0.000 0.286 64 I C -0.310 175.864 176.117 0.095 0.000 1.094 64 I CA -1.122 60.269 61.300 0.152 0.000 1.055 64 I CB 1.272 39.281 38.000 0.014 0.000 1.225 64 I HN 0.457 nan 8.210 nan 0.000 0.435 65 A N 3.445 126.292 122.820 0.045 0.000 2.362 65 A HA 0.483 4.806 4.320 0.005 0.000 0.276 65 A C 0.975 178.518 177.584 -0.068 0.000 1.153 65 A CA -0.035 51.991 52.037 -0.018 0.000 0.813 65 A CB 0.124 19.091 19.000 -0.054 0.000 1.081 65 A HN 0.846 nan 8.150 nan 0.000 0.507 66 T N -0.165 114.323 114.554 -0.111 0.000 3.054 66 T HA 0.259 4.613 4.350 0.005 0.000 0.255 66 T C 0.592 175.213 174.700 -0.132 0.000 1.035 66 T CA -0.140 61.873 62.100 -0.144 0.000 0.941 66 T CB 0.092 68.834 68.868 -0.210 0.000 1.026 66 T HN 0.536 nan 8.240 nan 0.000 0.533 67 R N 0.180 120.602 120.500 -0.131 0.000 2.740 67 R HA 0.598 4.941 4.340 0.005 0.000 0.282 67 R C 1.392 177.619 176.300 -0.121 0.000 0.969 67 R CA -0.335 55.688 56.100 -0.129 0.000 0.918 67 R CB 1.273 31.485 30.300 -0.146 0.000 1.175 67 R HN 0.205 nan 8.270 nan 0.000 0.464 68 G N 0.802 109.538 108.800 -0.107 0.000 2.432 68 G HA2 -0.316 3.647 3.960 0.005 0.000 0.219 68 G HA3 -0.316 3.647 3.960 0.005 0.000 0.219 68 G C 1.120 175.949 174.900 -0.118 0.000 1.135 68 G CA 0.738 45.775 45.100 -0.105 0.000 0.767 68 G HN 0.511 nan 8.290 nan 0.000 0.550 69 Q N -0.088 119.641 119.800 -0.118 0.000 2.084 69 Q HA -0.023 4.320 4.340 0.005 0.000 0.202 69 Q C 2.264 178.190 176.000 -0.123 0.000 0.978 69 Q CA 1.230 56.968 55.803 -0.108 0.000 0.844 69 Q CB -0.385 28.291 28.738 -0.104 0.000 0.898 69 Q HN 0.370 nan 8.270 nan 0.000 0.426 70 L N -0.300 120.804 121.223 -0.200 0.000 2.109 70 L HA 0.005 4.349 4.340 0.005 0.000 0.207 70 L C 2.225 179.068 176.870 -0.044 0.000 1.086 70 L CA 1.143 55.880 54.840 -0.172 0.000 0.760 70 L CB -0.530 41.356 42.059 -0.288 0.000 0.910 70 L HN 0.265 nan 8.230 nan 0.000 0.437 71 I N -0.781 119.729 120.570 -0.100 0.000 2.163 71 I HA -0.339 3.834 4.170 0.005 0.000 0.243 71 I C 2.671 178.758 176.117 -0.049 0.000 1.085 71 I CA 1.328 62.565 61.300 -0.105 0.000 1.347 71 I CB -0.280 37.703 38.000 -0.027 0.000 1.044 71 I HN 0.197 nan 8.210 nan 0.000 0.408 72 R N 0.501 120.948 120.500 -0.087 0.000 2.073 72 R HA -0.180 4.163 4.340 0.005 0.000 0.234 72 R C 2.251 178.593 176.300 0.071 0.000 1.134 72 R CA 1.576 57.552 56.100 -0.207 0.000 0.952 72 R CB -0.360 29.669 30.300 -0.451 0.000 0.850 72 R HN 0.435 nan 8.270 nan 0.000 0.433 73 E N 0.305 120.558 120.200 0.088 0.000 2.058 73 E HA -0.207 4.146 4.350 0.005 0.000 0.194 73 E C 2.040 178.739 176.600 0.165 0.000 0.997 73 E CA 1.325 57.854 56.400 0.214 0.000 0.801 73 E CB -0.111 29.813 29.700 0.374 0.000 0.746 73 E HN 0.384 nan 8.360 nan 0.000 0.450 74 A N 0.354 123.116 122.820 -0.097 0.000 1.930 74 A HA -0.160 4.163 4.320 0.005 0.000 0.217 74 A C 1.786 179.202 177.584 -0.280 0.000 1.175 74 A CA 1.054 52.699 52.037 -0.652 0.000 0.627 74 A CB -0.632 17.476 19.000 -1.487 0.000 0.815 74 A HN 0.247 nan 8.150 nan 0.000 0.443 75 Y N 0.419 120.724 120.300 0.009 0.000 2.352 75 Y HA -0.100 4.453 4.550 0.005 0.000 0.292 75 Y C 2.306 178.354 175.900 0.247 0.000 1.136 75 Y CA 1.385 59.578 58.100 0.154 0.000 1.227 75 Y CB -0.254 38.338 38.460 0.220 0.000 0.991 75 Y HN 0.470 nan 8.280 nan 0.000 0.545 76 E N -0.873 119.555 120.200 0.379 0.000 2.216 76 E HA -0.123 4.231 4.350 0.005 0.000 0.192 76 E C 0.270 177.010 176.600 0.233 0.000 0.988 76 E CA 0.735 57.322 56.400 0.313 0.000 0.834 76 E CB 0.116 29.983 29.700 0.279 0.000 0.772 76 E HN 0.148 nan 8.360 nan 0.000 0.479 77 D N -0.040 120.496 120.400 0.227 0.000 2.540 77 D HA -0.001 4.642 4.640 0.005 0.000 0.251 77 D C 0.380 176.753 176.300 0.122 0.000 1.159 77 D CA -0.546 53.521 54.000 0.111 0.000 0.974 77 D CB -0.097 40.857 40.800 0.258 0.000 0.996 77 D HN 0.142 nan 8.370 nan 0.000 0.512 78 Y N 0.987 121.374 120.300 0.145 0.000 2.497 78 Y HA 0.103 4.657 4.550 0.005 0.000 0.292 78 Y C 1.828 177.730 175.900 0.003 0.000 1.137 78 Y CA 0.360 58.532 58.100 0.120 0.000 1.285 78 Y CB -0.316 38.227 38.460 0.137 0.000 0.991 78 Y HN 0.066 nan 8.280 nan 0.000 0.556 79 R N -0.209 120.084 120.500 -0.346 0.000 2.090 79 R HA -0.069 4.274 4.340 0.005 0.000 0.228 79 R C 1.392 177.403 176.300 -0.481 0.000 1.110 79 R CA 1.807 57.686 56.100 -0.369 0.000 0.973 79 R CB -0.395 29.583 30.300 -0.537 0.000 0.869 79 R HN 0.570 nan 8.270 nan 0.000 0.440 80 H N -1.749 117.067 119.070 -0.425 0.000 2.451 80 H HA 0.101 4.660 4.556 0.005 0.000 0.294 80 H C -0.168 174.752 175.328 -0.679 0.000 1.028 80 H CA 0.365 55.983 56.048 -0.717 0.000 1.349 80 H CB 0.399 29.344 29.762 -1.362 0.000 1.444 80 H HN -0.042 nan 8.280 nan 0.000 0.538 81 F N 1.159 121.088 119.950 -0.035 0.000 2.291 81 F HA 0.282 4.811 4.527 0.005 0.000 0.368 81 F C 0.249 176.067 175.800 0.030 0.000 1.085 81 F CA -0.696 57.283 58.000 -0.035 0.000 1.165 81 F CB 1.083 40.012 39.000 -0.119 0.000 1.429 81 F HN -0.100 nan 8.300 nan 0.000 0.503 82 S N 0.920 116.711 115.700 0.150 0.000 2.545 82 S HA 0.185 4.659 4.470 0.005 0.000 0.275 82 S C 1.125 175.792 174.600 0.112 0.000 1.299 82 S CA -0.537 57.745 58.200 0.137 0.000 1.048 82 S CB 0.903 64.154 63.200 0.084 0.000 0.938 82 S HN 0.522 nan 8.310 nan 0.000 0.496 83 S N 3.365 119.124 115.700 0.099 0.000 2.660 83 S HA -0.013 4.460 4.470 0.005 0.000 0.228 83 S C 1.524 176.131 174.600 0.010 0.000 0.966 83 S CA 0.280 58.483 58.200 0.006 0.000 0.940 83 S CB -0.256 62.871 63.200 -0.121 0.000 0.773 83 S HN 0.887 nan 8.310 nan 0.000 0.535 84 E N 0.347 120.577 120.200 0.050 0.000 2.160 84 E HA -0.176 4.177 4.350 0.005 0.000 0.195 84 E C 0.535 177.149 176.600 0.023 0.000 0.991 84 E CA 0.810 57.240 56.400 0.050 0.000 0.810 84 E CB 0.091 29.823 29.700 0.054 0.000 0.742 84 E HN 0.455 nan 8.360 nan 0.000 0.466 85 C N 1.595 120.896 119.300 0.000 0.000 3.002 85 C HA 0.453 4.916 4.460 0.005 0.000 0.248 85 C C -2.041 172.913 174.990 -0.059 0.000 1.153 85 C CA -1.551 57.450 59.018 -0.028 0.000 1.502 85 C CB 0.959 28.708 27.740 0.015 0.000 1.805 85 C HN 0.265 nan 8.230 nan 0.000 0.450 86 P HA 0.178 nan 4.420 nan 0.000 0.261 86 P C -0.073 177.269 177.300 0.071 0.000 1.268 86 P CA 0.288 63.318 63.100 -0.118 0.000 0.833 86 P CB 0.305 31.826 31.700 -0.300 0.000 1.231 87 F N 0.628 120.382 119.950 -0.327 0.000 2.492 87 F HA 0.390 4.920 4.527 0.004 0.000 0.327 87 F C 0.761 176.459 175.800 -0.170 0.000 1.079 87 F CA -2.182 55.667 58.000 -0.251 0.000 0.967 87 F CB 1.137 39.931 39.000 -0.342 0.000 1.169 87 F HN -0.291 nan 8.300 nan 0.000 0.472 88 I N 5.530 126.082 120.570 -0.030 0.000 2.307 88 I HA 0.299 4.472 4.170 0.005 0.000 0.289 88 I C -2.310 173.889 176.117 0.136 0.000 1.021 88 I CA -2.869 58.399 61.300 -0.052 0.000 1.224 88 I CB 0.727 38.546 38.000 -0.300 0.000 1.376 88 I HN 0.243 nan 8.210 nan 0.000 0.470 89 P HA 0.411 nan 4.420 nan 0.000 0.285 89 P C 0.591 177.914 177.300 0.038 0.000 1.280 89 P CA -0.796 62.342 63.100 0.064 0.000 0.862 89 P CB 1.789 33.521 31.700 0.054 0.000 1.153 90 R N 1.367 121.890 120.500 0.037 0.000 2.117 90 R HA -0.178 4.165 4.340 0.005 0.000 0.243 90 R C 1.969 178.286 176.300 0.028 0.000 1.143 90 R CA 2.013 58.134 56.100 0.036 0.000 0.968 90 R CB -0.227 30.106 30.300 0.056 0.000 0.863 90 R HN 0.543 nan 8.270 nan 0.000 0.444 91 E N 0.259 120.481 120.200 0.036 0.000 2.110 91 E HA -0.186 4.168 4.350 0.005 0.000 0.193 91 E C 1.728 178.347 176.600 0.032 0.000 0.988 91 E CA 1.343 57.767 56.400 0.041 0.000 0.804 91 E CB -0.322 29.408 29.700 0.051 0.000 0.745 91 E HN 0.439 nan 8.360 nan 0.000 0.458 92 A N 2.031 124.856 122.820 0.008 0.000 1.873 92 A HA -0.007 4.316 4.320 0.005 0.000 0.215 92 A C 2.629 180.010 177.584 -0.339 0.000 1.186 92 A CA 1.889 53.831 52.037 -0.157 0.000 0.616 92 A CB -1.399 17.552 19.000 -0.083 0.000 0.823 92 A HN 0.425 nan 8.150 nan 0.000 0.442 93 G N -0.412 108.297 108.800 -0.151 0.000 2.469 93 G HA2 -0.254 3.710 3.960 0.005 0.000 0.220 93 G HA3 -0.254 3.710 3.960 0.005 0.000 0.220 93 G C 1.424 176.285 174.900 -0.066 0.000 1.136 93 G CA 1.120 46.144 45.100 -0.127 0.000 0.759 93 G HN 0.678 nan 8.290 nan 0.000 0.562 94 E N 0.356 120.543 120.200 -0.023 0.000 2.106 94 E HA 0.038 4.392 4.350 0.005 0.000 0.192 94 E C 2.859 179.473 176.600 0.024 0.000 0.984 94 E CA 0.683 57.091 56.400 0.013 0.000 0.806 94 E CB -0.133 29.582 29.700 0.026 0.000 0.750 94 E HN 0.428 nan 8.360 nan 0.000 0.458 95 A N 0.777 123.617 122.820 0.034 0.000 2.066 95 A HA -0.115 4.209 4.320 0.005 0.000 0.218 95 A C 0.753 178.389 177.584 0.087 0.000 1.157 95 A CA 0.181 52.273 52.037 0.091 0.000 0.670 95 A CB -0.408 18.727 19.000 0.226 0.000 0.804 95 A HN 0.300 nan 8.150 nan 0.000 0.453 96 Y N 2.373 122.580 120.300 -0.155 0.000 2.605 96 Y HA 0.226 4.780 4.550 0.007 0.000 0.336 96 Y C 0.277 176.067 175.900 -0.182 0.000 1.111 96 Y CA -0.186 57.765 58.100 -0.248 0.000 1.422 96 Y CB 0.471 38.582 38.460 -0.581 0.000 1.193 96 Y HN 0.437 nan 8.280 nan 0.000 0.526 97 D N 4.047 124.200 120.400 -0.412 0.000 2.636 97 D HA 0.021 4.665 4.640 0.005 0.000 0.270 97 D C -0.582 175.598 176.300 -0.199 0.000 1.430 97 D CA -0.371 53.521 54.000 -0.180 0.000 0.796 97 D CB -1.073 39.674 40.800 -0.089 0.000 1.117 97 D HN 0.201 nan 8.370 nan 0.000 0.480 98 F N 1.236 120.989 119.950 -0.328 0.000 2.628 98 F HA 0.198 4.728 4.527 0.004 0.000 0.362 98 F C 1.232 176.998 175.800 -0.057 0.000 1.148 98 F CA 0.007 57.888 58.000 -0.199 0.000 1.352 98 F CB 0.450 39.236 39.000 -0.356 0.000 1.081 98 F HN -0.096 nan 8.300 nan 0.000 0.605 99 I N 5.204 125.872 120.570 0.163 0.000 2.389 99 I HA 0.233 4.406 4.170 0.005 0.000 0.288 99 I C -1.832 174.343 176.117 0.098 0.000 0.999 99 I CA -1.507 59.814 61.300 0.034 0.000 1.129 99 I CB 2.233 40.099 38.000 -0.223 0.000 1.288 99 I HN 0.384 nan 8.210 nan 0.000 0.444 100 P HA 0.149 nan 4.420 nan 0.000 0.291 100 P C 0.912 178.383 177.300 0.284 0.000 1.341 100 P CA 0.085 63.279 63.100 0.157 0.000 0.999 100 P CB 0.592 32.394 31.700 0.170 0.000 1.501 101 T N 0.083 114.827 114.554 0.317 0.000 2.995 101 T HA -0.078 4.275 4.350 0.005 0.000 0.269 101 T C 1.789 176.647 174.700 0.263 0.000 1.091 101 T CA 1.859 64.162 62.100 0.339 0.000 1.128 101 T CB -0.517 68.567 68.868 0.360 0.000 0.891 101 T HN 0.250 nan 8.240 nan 0.000 0.492 102 S N 0.317 116.227 115.700 0.351 0.000 2.607 102 S HA 0.224 4.697 4.470 0.005 0.000 0.224 102 S C 0.581 175.277 174.600 0.161 0.000 0.969 102 S CA -0.105 58.244 58.200 0.248 0.000 0.927 102 S CB -0.555 62.813 63.200 0.279 0.000 0.772 102 S HN 0.370 nan 8.310 nan 0.000 0.533 103 M N 2.151 121.872 119.600 0.202 0.000 2.472 103 M HA 0.468 4.951 4.480 0.005 0.000 0.331 103 M C -0.890 175.556 176.300 0.242 0.000 1.170 103 M CA -0.627 54.777 55.300 0.173 0.000 1.009 103 M CB 1.417 34.095 32.600 0.131 0.000 1.672 103 M HN 0.023 nan 8.290 nan 0.000 0.453 104 D N 2.336 122.829 120.400 0.155 0.000 2.277 104 D HA 0.413 5.056 4.640 0.005 0.000 0.250 104 D C -2.473 173.786 176.300 -0.069 0.000 1.032 104 D CA -1.300 52.765 54.000 0.108 0.000 0.947 104 D CB 1.030 41.909 40.800 0.131 0.000 1.159 104 D HN 0.177 nan 8.370 nan 0.000 0.460 105 P HA 0.094 nan 4.420 nan 0.000 0.267 105 P C -1.964 175.206 177.300 -0.217 0.000 1.205 105 P CA -0.769 62.088 63.100 -0.405 0.000 0.765 105 P CB 0.490 31.671 31.700 -0.864 0.000 0.828 106 P HA 0.091 nan 4.420 nan 0.000 0.251 106 P C 0.845 178.129 177.300 -0.026 0.000 1.198 106 P CA 0.617 63.685 63.100 -0.054 0.000 0.847 106 P CB 0.560 32.258 31.700 -0.003 0.000 1.082 107 E N 0.685 120.895 120.200 0.016 0.000 2.160 107 E HA -0.199 4.154 4.350 0.005 0.000 0.195 107 E C 2.256 178.941 176.600 0.143 0.000 0.991 107 E CA 1.048 57.497 56.400 0.081 0.000 0.810 107 E CB -0.635 29.128 29.700 0.107 0.000 0.742 107 E HN 0.305 nan 8.360 nan 0.000 0.466 108 Q N 0.784 120.631 119.800 0.077 0.000 2.124 108 Q HA -0.213 4.130 4.340 0.005 0.000 0.202 108 Q C 1.923 177.981 176.000 0.097 0.000 0.977 108 Q CA 1.239 57.103 55.803 0.100 0.000 0.850 108 Q CB 0.076 28.773 28.738 -0.069 0.000 0.901 108 Q HN 0.252 nan 8.270 nan 0.000 0.429 109 R N 0.400 120.899 120.500 -0.002 0.000 2.083 109 R HA -0.220 4.123 4.340 0.005 0.000 0.237 109 R C 2.539 178.815 176.300 -0.039 0.000 1.137 109 R CA 1.971 58.047 56.100 -0.040 0.000 0.951 109 R CB -0.611 29.647 30.300 -0.069 0.000 0.851 109 R HN 0.562 nan 8.270 nan 0.000 0.434 110 Q N 0.094 119.837 119.800 -0.094 0.000 2.135 110 Q HA -0.163 4.181 4.340 0.005 0.000 0.204 110 Q C 1.685 177.539 176.000 -0.244 0.000 0.981 110 Q CA 1.657 57.326 55.803 -0.223 0.000 0.856 110 Q CB -0.396 28.126 28.738 -0.361 0.000 0.902 110 Q HN 0.257 nan 8.270 nan 0.000 0.425 111 F N 1.046 120.990 119.950 -0.010 0.000 2.163 111 F HA 0.070 4.601 4.527 0.006 0.000 0.297 111 F C 2.715 178.517 175.800 0.003 0.000 1.094 111 F CA 1.133 59.136 58.000 0.005 0.000 1.290 111 F CB -0.283 38.730 39.000 0.022 0.000 1.017 111 F HN 0.026 nan 8.300 nan 0.000 0.483 112 R N 0.758 121.357 120.500 0.165 0.000 2.091 112 R HA -0.165 4.179 4.340 0.005 0.000 0.238 112 R C 2.304 178.627 176.300 0.039 0.000 1.136 112 R CA 1.385 57.530 56.100 0.075 0.000 0.959 112 R CB -0.496 29.803 30.300 -0.001 0.000 0.856 112 R HN 0.238 nan 8.270 nan 0.000 0.437 113 A N 1.023 123.849 122.820 0.010 0.000 1.940 113 A HA -0.172 4.151 4.320 0.005 0.000 0.219 113 A C 2.019 179.605 177.584 0.004 0.000 1.176 113 A CA 1.360 53.392 52.037 -0.008 0.000 0.631 113 A CB -0.559 18.420 19.000 -0.035 0.000 0.814 113 A HN 0.408 nan 8.150 nan 0.000 0.446 114 L N -0.471 120.761 121.223 0.015 0.000 2.072 114 L HA 0.090 4.433 4.340 0.005 0.000 0.205 114 L C 2.614 179.512 176.870 0.048 0.000 1.079 114 L CA 2.011 56.865 54.840 0.025 0.000 0.752 114 L CB -0.878 41.204 42.059 0.038 0.000 0.906 114 L HN 0.314 nan 8.230 nan 0.000 0.436 115 A N -0.278 122.587 122.820 0.074 0.000 1.940 115 A HA -0.274 4.049 4.320 0.005 0.000 0.219 115 A C 2.182 179.799 177.584 0.054 0.000 1.176 115 A CA 1.872 53.954 52.037 0.075 0.000 0.631 115 A CB -0.980 18.076 19.000 0.093 0.000 0.814 115 A HN 0.606 nan 8.150 nan 0.000 0.446 116 N N -0.207 118.517 118.700 0.040 0.000 2.244 116 N HA -0.150 4.593 4.740 0.005 0.000 0.183 116 N C 1.802 177.327 175.510 0.025 0.000 1.016 116 N CA 1.655 54.724 53.050 0.032 0.000 0.866 116 N CB -0.348 38.152 38.487 0.020 0.000 0.980 116 N HN 0.649 nan 8.380 nan 0.000 0.430 117 Q N -0.593 119.218 119.800 0.018 0.000 2.170 117 Q HA -0.084 4.259 4.340 0.005 0.000 0.203 117 Q C 1.899 177.906 176.000 0.011 0.000 0.976 117 Q CA 1.655 57.463 55.803 0.008 0.000 0.858 117 Q CB 0.046 28.785 28.738 0.001 0.000 0.907 117 Q HN 0.475 nan 8.270 nan 0.000 0.433 118 V N -2.634 117.293 119.914 0.022 0.000 3.354 118 V HA 0.058 4.182 4.120 0.005 0.000 0.258 118 V C 1.479 177.587 176.094 0.024 0.000 1.159 118 V CA 0.675 62.984 62.300 0.016 0.000 1.125 118 V CB 0.430 32.264 31.823 0.018 0.000 0.774 118 V HN 0.241 nan 8.190 nan 0.000 0.464 119 V N -2.115 117.825 119.914 0.044 0.000 3.253 119 V HA 0.719 4.842 4.120 0.005 0.000 0.320 119 V C 1.050 177.178 176.094 0.058 0.000 1.442 119 V CA 0.178 62.512 62.300 0.057 0.000 1.097 119 V CB -0.650 31.228 31.823 0.091 0.000 1.008 119 V HN 0.436 nan 8.190 nan 0.000 0.463 120 G N -0.294 108.537 108.800 0.051 0.000 2.588 120 G HA2 0.348 4.312 3.960 0.005 0.000 0.278 120 G HA3 0.348 4.312 3.960 0.005 0.000 0.278 120 G C 0.509 175.428 174.900 0.031 0.000 1.307 120 G CA 0.060 45.200 45.100 0.067 0.000 1.016 120 G HN 0.159 nan 8.290 nan 0.000 0.503 121 M N 0.629 120.204 119.600 -0.042 0.000 2.082 121 M HA -0.032 4.451 4.480 0.005 0.000 0.258 121 M C -0.256 176.007 176.300 -0.061 0.000 1.069 121 M CA 1.876 57.107 55.300 -0.116 0.000 1.102 121 M CB -0.912 31.513 32.600 -0.291 0.000 1.336 121 M HN 0.315 nan 8.290 nan 0.000 0.404 122 P HA -0.134 nan 4.420 nan 0.000 0.218 122 P C 1.888 179.176 177.300 -0.020 0.000 1.148 122 P CA 1.133 64.212 63.100 -0.034 0.000 0.822 122 P CB -0.204 31.478 31.700 -0.031 0.000 0.784 123 V N -0.622 119.285 119.914 -0.013 0.000 2.488 123 V HA -0.145 3.978 4.120 0.005 0.000 0.246 123 V C 2.213 178.305 176.094 -0.003 0.000 1.046 123 V CA 1.398 63.693 62.300 -0.009 0.000 1.053 123 V CB -0.731 31.088 31.823 -0.006 0.000 0.679 123 V HN -0.105 nan 8.190 nan 0.000 0.458 124 V N 0.327 120.245 119.914 0.006 0.000 2.343 124 V HA -0.238 3.885 4.120 0.005 0.000 0.247 124 V C 2.350 178.451 176.094 0.011 0.000 1.051 124 V CA 2.361 64.671 62.300 0.017 0.000 1.036 124 V CB -0.826 31.017 31.823 0.035 0.000 0.654 124 V HN 0.566 nan 8.190 nan 0.000 0.451 125 D N 0.043 120.443 120.400 -0.000 0.000 2.123 125 D HA -0.189 4.454 4.640 0.005 0.000 0.196 125 D C 2.202 178.504 176.300 0.003 0.000 0.992 125 D CA 1.303 55.303 54.000 0.000 0.000 0.833 125 D CB -0.326 40.468 40.800 -0.011 0.000 0.954 125 D HN 0.346 nan 8.370 nan 0.000 0.455 126 K N 0.790 121.188 120.400 -0.003 0.000 2.147 126 K HA -0.103 4.221 4.320 0.005 0.000 0.205 126 K C 1.866 178.465 176.600 -0.001 0.000 1.049 126 K CA 0.650 56.934 56.287 -0.004 0.000 0.936 126 K CB -0.153 32.340 32.500 -0.012 0.000 0.722 126 K HN 0.224 nan 8.250 nan 0.000 0.446 127 L N 0.764 121.988 121.223 0.002 0.000 2.607 127 L HA 0.053 4.396 4.340 0.005 0.000 0.228 127 L C 2.282 179.167 176.870 0.024 0.000 1.123 127 L CA 0.031 54.873 54.840 0.004 0.000 0.890 127 L CB -0.089 41.966 42.059 -0.007 0.000 1.103 127 L HN 0.282 nan 8.230 nan 0.000 0.468 128 E N 1.099 121.317 120.200 0.030 0.000 2.086 128 E HA -0.296 4.057 4.350 0.005 0.000 0.200 128 E C 1.425 178.059 176.600 0.058 0.000 1.012 128 E CA 1.888 58.316 56.400 0.048 0.000 0.812 128 E CB 0.118 29.841 29.700 0.040 0.000 0.743 128 E HN 0.469 nan 8.360 nan 0.000 0.453 129 N N 0.385 119.110 118.700 0.043 0.000 2.142 129 N HA -0.093 4.650 4.740 0.005 0.000 0.186 129 N C 1.898 177.443 175.510 0.058 0.000 1.023 129 N CA 1.079 54.157 53.050 0.047 0.000 0.852 129 N CB -0.306 38.200 38.487 0.032 0.000 0.998 129 N HN 0.186 nan 8.380 nan 0.000 0.424 130 R N 0.279 120.809 120.500 0.050 0.000 2.092 130 R HA 0.116 4.459 4.340 0.005 0.000 0.231 130 R C 2.187 178.544 176.300 0.097 0.000 1.119 130 R CA 0.663 56.796 56.100 0.055 0.000 0.970 130 R CB -0.218 30.098 30.300 0.026 0.000 0.864 130 R HN 0.221 nan 8.270 nan 0.000 0.440 131 I N 0.433 121.068 120.570 0.108 0.000 2.127 131 I HA -0.337 3.836 4.170 0.005 0.000 0.241 131 I C 2.581 178.879 176.117 0.302 0.000 1.075 131 I CA 1.338 62.761 61.300 0.204 0.000 1.334 131 I CB -0.249 37.846 38.000 0.158 0.000 1.040 131 I HN 0.177 nan 8.210 nan 0.000 0.405 132 Q N 1.273 121.187 119.800 0.190 0.000 2.045 132 Q HA -0.304 4.040 4.340 0.005 0.000 0.206 132 Q C 2.026 178.101 176.000 0.125 0.000 0.991 132 Q CA 2.342 58.233 55.803 0.147 0.000 0.851 132 Q CB -0.317 28.480 28.738 0.097 0.000 0.911 132 Q HN 0.523 nan 8.270 nan 0.000 0.418 133 E N -0.815 119.450 120.200 0.109 0.000 2.150 133 E HA -0.155 4.198 4.350 0.005 0.000 0.193 133 E C 1.954 178.617 176.600 0.104 0.000 0.985 133 E CA 0.740 57.191 56.400 0.085 0.000 0.814 133 E CB -0.175 29.563 29.700 0.064 0.000 0.752 133 E HN 0.503 nan 8.360 nan 0.000 0.466 134 L N 0.196 121.517 121.223 0.163 0.000 2.044 134 L HA -0.060 4.283 4.340 0.005 0.000 0.205 134 L C 2.547 179.523 176.870 0.177 0.000 1.075 134 L CA 1.105 56.057 54.840 0.186 0.000 0.747 134 L CB -0.454 41.768 42.059 0.272 0.000 0.903 134 L HN 0.265 nan 8.230 nan 0.000 0.435 135 A N -0.544 122.385 122.820 0.181 0.000 1.873 135 A HA -0.304 4.019 4.320 0.005 0.000 0.218 135 A C 2.358 179.975 177.584 0.055 0.000 1.193 135 A CA 2.171 54.172 52.037 -0.058 0.000 0.629 135 A CB -1.407 17.482 19.000 -0.185 0.000 0.826 135 A HN 0.613 nan 8.150 nan 0.000 0.447 136 C N -1.126 118.200 119.300 0.044 0.000 2.413 136 C HA -0.071 4.392 4.460 0.005 0.000 0.276 136 C C 3.386 178.386 174.990 0.017 0.000 1.248 136 C CA 1.465 60.491 59.018 0.014 0.000 1.742 136 C CB -1.180 26.570 27.740 0.017 0.000 2.017 136 C HN 0.739 nan 8.230 nan 0.000 0.481 137 S N 0.191 115.919 115.700 0.045 0.000 2.355 137 S HA -0.106 4.367 4.470 0.005 0.000 0.222 137 S C 1.809 176.439 174.600 0.051 0.000 1.031 137 S CA 1.183 59.408 58.200 0.041 0.000 0.993 137 S CB -0.265 62.964 63.200 0.048 0.000 0.859 137 S HN 0.380 nan 8.310 nan 0.000 0.453 138 L N 1.563 122.841 121.223 0.091 0.000 2.046 138 L HA 0.058 4.401 4.340 0.005 0.000 0.208 138 L C 2.286 179.216 176.870 0.100 0.000 1.077 138 L CA 1.566 56.484 54.840 0.130 0.000 0.747 138 L CB -1.241 40.954 42.059 0.226 0.000 0.896 138 L HN 0.435 nan 8.230 nan 0.000 0.432 139 I N -0.943 119.650 120.570 0.038 0.000 2.286 139 I HA -0.232 3.942 4.170 0.005 0.000 0.245 139 I C 2.453 178.449 176.117 -0.201 0.000 1.104 139 I CA 0.750 61.937 61.300 -0.189 0.000 1.397 139 I CB -0.159 37.641 38.000 -0.334 0.000 1.072 139 I HN 0.208 nan 8.210 nan 0.000 0.417 140 E N 1.334 121.465 120.200 -0.115 0.000 2.085 140 E HA -0.206 4.147 4.350 0.005 0.000 0.194 140 E C 2.139 178.718 176.600 -0.035 0.000 0.994 140 E CA 2.013 58.364 56.400 -0.081 0.000 0.801 140 E CB -0.198 29.475 29.700 -0.046 0.000 0.743 140 E HN 0.277 nan 8.360 nan 0.000 0.453 141 S N -0.222 115.477 115.700 -0.002 0.000 2.402 141 S HA -0.044 4.430 4.470 0.005 0.000 0.229 141 S C 1.843 176.472 174.600 0.049 0.000 1.021 141 S CA 1.036 59.252 58.200 0.025 0.000 0.974 141 S CB -0.202 63.021 63.200 0.040 0.000 0.800 141 S HN 0.273 nan 8.310 nan 0.000 0.484 142 L N 0.785 122.043 121.223 0.058 0.000 2.131 142 L HA 0.041 4.384 4.340 0.005 0.000 0.206 142 L C 2.623 179.637 176.870 0.240 0.000 1.087 142 L CA 0.674 55.609 54.840 0.159 0.000 0.767 142 L CB -0.472 41.713 42.059 0.210 0.000 0.917 142 L HN 0.229 nan 8.230 nan 0.000 0.441 143 R N 0.773 121.322 120.500 0.083 0.000 2.162 143 R HA -0.235 4.109 4.340 0.005 0.000 0.245 143 R C -0.456 176.016 176.300 0.286 0.000 1.129 143 R CA 2.489 58.667 56.100 0.132 0.000 0.940 143 R CB -1.351 28.902 30.300 -0.078 0.000 0.875 143 R HN 0.223 nan 8.270 nan 0.000 0.437 144 P HA -0.123 nan 4.420 nan 0.000 0.220 144 P C 0.620 177.939 177.300 0.031 0.000 1.148 144 P CA 1.434 64.583 63.100 0.081 0.000 0.803 144 P CB -0.057 31.666 31.700 0.037 0.000 0.782 145 Q N -1.511 118.295 119.800 0.011 0.000 2.297 145 Q HA 0.060 4.403 4.340 0.005 0.000 0.204 145 Q C 1.616 177.417 176.000 -0.330 0.000 0.962 145 Q CA 0.931 56.667 55.803 -0.112 0.000 0.879 145 Q CB -0.603 28.092 28.738 -0.073 0.000 0.947 145 Q HN 0.201 nan 8.270 nan 0.000 0.462 146 G N 1.304 109.727 108.800 -0.628 0.000 2.166 146 G HA2 -0.326 3.637 3.960 0.005 0.000 0.260 146 G HA3 -0.326 3.637 3.960 0.005 0.000 0.260 146 G C -0.067 173.948 174.900 -1.475 0.000 0.986 146 G CA 0.860 45.205 45.100 -1.258 0.000 0.683 146 G HN 0.478 nan 8.290 nan 0.000 0.527 147 Q N -1.877 117.103 119.800 -1.367 0.000 2.702 147 Q HA 0.611 4.955 4.340 0.005 0.000 0.289 147 Q C -0.438 175.376 176.000 -0.310 0.000 0.923 147 Q CA -0.721 54.586 55.803 -0.826 0.000 0.787 147 Q CB 1.545 30.071 28.738 -0.353 0.000 1.476 147 Q HN 1.495 nan 8.270 nan 0.000 0.402 148 C N -0.452 118.875 119.300 0.044 0.000 3.303 148 C HA 0.615 5.078 4.460 0.005 0.000 0.340 148 C C -1.661 173.465 174.990 0.225 0.000 1.274 148 C CA -0.805 58.352 59.018 0.232 0.000 1.234 148 C CB 1.472 29.502 27.740 0.484 0.000 1.532 148 C HN 0.882 nan 8.230 nan 0.000 0.483 149 N N 1.441 120.250 118.700 0.182 0.000 2.801 149 N HA 0.231 4.974 4.740 0.005 0.000 0.235 149 N C 0.276 175.895 175.510 0.183 0.000 1.069 149 N CA -0.304 52.839 53.050 0.154 0.000 0.946 149 N CB 0.804 39.346 38.487 0.091 0.000 1.212 149 N HN 0.782 nan 8.380 nan 0.000 0.509 150 F N 2.725 122.738 119.950 0.105 0.000 2.115 150 F HA -0.302 4.229 4.527 0.006 0.000 0.300 150 F C 2.490 178.333 175.800 0.072 0.000 1.092 150 F CA 1.995 60.045 58.000 0.084 0.000 1.245 150 F CB -0.118 38.855 39.000 -0.044 0.000 0.995 150 F HN 0.388 nan 8.300 nan 0.000 0.481 151 T N -1.881 112.705 114.554 0.053 0.000 2.674 151 T HA -0.245 4.108 4.350 0.005 0.000 0.265 151 T C 1.675 176.315 174.700 -0.101 0.000 1.039 151 T CA 1.731 63.802 62.100 -0.048 0.000 1.150 151 T CB -0.834 68.037 68.868 0.005 0.000 0.864 151 T HN 0.534 nan 8.240 nan 0.000 0.427 152 E N 1.165 121.343 120.200 -0.038 0.000 2.216 152 E HA -0.049 4.304 4.350 0.005 0.000 0.192 152 E C 1.557 178.138 176.600 -0.031 0.000 0.988 152 E CA 1.018 57.402 56.400 -0.027 0.000 0.834 152 E CB -0.064 29.641 29.700 0.008 0.000 0.772 152 E HN 0.549 nan 8.360 nan 0.000 0.479 153 D N -1.191 119.197 120.400 -0.020 0.000 2.350 153 D HA 0.014 4.657 4.640 0.005 0.000 0.213 153 D C 0.621 176.944 176.300 0.039 0.000 1.031 153 D CA 0.575 54.596 54.000 0.034 0.000 0.861 153 D CB 0.388 41.262 40.800 0.124 0.000 0.926 153 D HN 0.203 nan 8.370 nan 0.000 0.520 154 Y N -0.227 119.890 120.300 -0.305 0.000 3.189 154 Y HA 0.298 4.852 4.550 0.006 0.000 0.213 154 Y C 1.956 177.605 175.900 -0.419 0.000 1.032 154 Y CA 0.562 58.440 58.100 -0.371 0.000 1.482 154 Y CB -0.193 37.971 38.460 -0.492 0.000 1.460 154 Y HN -0.148 nan 8.280 nan 0.000 0.398 155 A N 0.971 123.424 122.820 -0.611 0.000 1.908 155 A HA -0.200 4.123 4.320 0.005 0.000 0.218 155 A C 1.809 179.306 177.584 -0.145 0.000 1.181 155 A CA 2.373 54.253 52.037 -0.262 0.000 0.627 155 A CB -0.631 18.264 19.000 -0.175 0.000 0.818 155 A HN 0.683 nan 8.150 nan 0.000 0.445 156 E N -0.703 119.407 120.200 -0.150 0.000 2.016 156 E HA -0.104 4.250 4.350 0.005 0.000 0.190 156 E C -0.468 176.075 176.600 -0.095 0.000 0.985 156 E CA 1.060 57.404 56.400 -0.094 0.000 0.802 156 E CB -0.726 28.934 29.700 -0.067 0.000 0.762 156 E HN 0.515 nan 8.360 nan 0.000 0.448 157 P HA -0.195 nan 4.420 nan 0.000 0.216 157 P C 1.440 178.691 177.300 -0.083 0.000 1.153 157 P CA 1.169 64.224 63.100 -0.076 0.000 0.848 157 P CB -0.124 31.543 31.700 -0.055 0.000 0.787 158 F N 3.586 123.303 119.950 -0.389 0.000 2.010 158 F HA -0.115 4.415 4.527 0.006 0.000 0.296 158 F C -0.770 174.927 175.800 -0.172 0.000 1.146 158 F CA 2.177 59.944 58.000 -0.389 0.000 1.181 158 F CB -2.180 36.317 39.000 -0.840 0.000 0.965 158 F HN -0.037 nan 8.300 nan 0.000 0.480 159 P HA -0.129 nan 4.420 nan 0.000 0.217 159 P C 2.204 179.405 177.300 -0.164 0.000 1.151 159 P CA 1.961 64.827 63.100 -0.391 0.000 0.828 159 P CB -0.242 31.342 31.700 -0.194 0.000 0.788 160 I N -0.020 120.493 120.570 -0.095 0.000 2.142 160 I HA -0.210 3.963 4.170 0.005 0.000 0.240 160 I C 2.850 178.982 176.117 0.025 0.000 1.078 160 I CA 1.514 62.808 61.300 -0.009 0.000 1.343 160 I CB -0.569 37.420 38.000 -0.018 0.000 1.046 160 I HN -0.157 nan 8.210 nan 0.000 0.405 161 R N 0.418 120.902 120.500 -0.027 0.000 2.096 161 R HA -0.117 4.226 4.340 0.005 0.000 0.235 161 R C 2.285 178.565 176.300 -0.034 0.000 1.127 161 R CA 1.106 57.197 56.100 -0.015 0.000 0.968 161 R CB -0.194 30.098 30.300 -0.014 0.000 0.861 161 R HN 0.301 nan 8.270 nan 0.000 0.440 162 I N 0.127 120.643 120.570 -0.089 0.000 2.179 162 I HA -0.271 3.903 4.170 0.005 0.000 0.242 162 I C 2.191 178.276 176.117 -0.053 0.000 1.088 162 I CA 1.341 62.581 61.300 -0.100 0.000 1.357 162 I CB -0.882 36.998 38.000 -0.200 0.000 1.051 162 I HN 0.071 nan 8.210 nan 0.000 0.409 163 F N 1.586 121.470 119.950 -0.111 0.000 2.102 163 F HA -0.252 4.277 4.527 0.003 0.000 0.298 163 F C 2.611 178.387 175.800 -0.040 0.000 1.105 163 F CA 1.632 59.590 58.000 -0.071 0.000 1.239 163 F CB -0.145 38.812 39.000 -0.071 0.000 0.991 163 F HN -0.066 nan 8.300 nan 0.000 0.474 164 M N -0.340 119.268 119.600 0.014 0.000 2.159 164 M HA -0.159 4.324 4.480 0.005 0.000 0.263 164 M C 2.296 178.520 176.300 -0.126 0.000 1.063 164 M CA 1.282 56.558 55.300 -0.040 0.000 1.110 164 M CB -1.623 31.005 32.600 0.047 0.000 1.374 164 M HN 0.376 nan 8.290 nan 0.000 0.411 165 L N 0.788 121.945 121.223 -0.110 0.000 2.017 165 L HA -0.156 4.187 4.340 0.005 0.000 0.208 165 L C 2.248 179.024 176.870 -0.155 0.000 1.073 165 L CA 1.587 56.367 54.840 -0.100 0.000 0.745 165 L CB -1.022 40.995 42.059 -0.070 0.000 0.894 165 L HN 0.235 nan 8.230 nan 0.000 0.432 166 L N 0.155 121.234 121.223 -0.240 0.000 2.083 166 L HA -0.014 4.329 4.340 0.005 0.000 0.209 166 L C 2.259 178.936 176.870 -0.321 0.000 1.083 166 L CA 2.018 56.695 54.840 -0.272 0.000 0.752 166 L CB -1.021 40.832 42.059 -0.343 0.000 0.899 166 L HN 0.319 nan 8.230 nan 0.000 0.433 167 A N -1.017 121.537 122.820 -0.444 0.000 2.251 167 A HA 0.390 4.713 4.320 0.005 0.000 0.209 167 A C 1.591 179.094 177.584 -0.136 0.000 1.187 167 A CA 0.489 52.333 52.037 -0.320 0.000 0.823 167 A CB -0.980 17.790 19.000 -0.384 0.000 0.846 167 A HN 0.803 nan 8.150 nan 0.000 0.486 168 G N -0.434 108.294 108.800 -0.119 0.000 2.323 168 G HA2 -0.217 3.746 3.960 0.005 0.000 0.292 168 G HA3 -0.217 3.746 3.960 0.005 0.000 0.292 168 G C -0.150 174.740 174.900 -0.017 0.000 1.040 168 G CA 0.654 45.719 45.100 -0.058 0.000 0.942 168 G HN 0.500 nan 8.290 nan 0.000 0.506 169 L N 0.133 121.357 121.223 0.001 0.000 2.334 169 L HA 0.522 4.865 4.340 0.005 0.000 0.276 169 L C -1.812 175.096 176.870 0.064 0.000 1.014 169 L CA -2.616 52.264 54.840 0.068 0.000 0.815 169 L CB 1.946 44.096 42.059 0.152 0.000 1.268 169 L HN -0.102 nan 8.230 nan 0.000 0.428 170 P HA 0.041 nan 4.420 nan 0.000 0.265 170 P C 0.000 177.341 177.300 0.068 0.000 1.193 170 P CA -0.011 63.127 63.100 0.062 0.000 0.765 170 P CB 0.652 32.392 31.700 0.067 0.000 0.823 171 E N 1.636 121.864 120.200 0.047 0.000 2.268 171 E HA -0.185 4.168 4.350 0.005 0.000 0.195 171 E C 1.421 178.049 176.600 0.046 0.000 0.995 171 E CA 0.849 57.275 56.400 0.043 0.000 0.836 171 E CB 0.087 29.804 29.700 0.029 0.000 0.763 171 E HN 0.674 nan 8.360 nan 0.000 0.491 172 E N 0.828 121.058 120.200 0.049 0.000 2.347 172 E HA -0.162 4.191 4.350 0.005 0.000 0.196 172 E C 0.801 177.440 176.600 0.065 0.000 1.008 172 E CA 0.787 57.215 56.400 0.048 0.000 0.852 172 E CB 0.036 29.760 29.700 0.040 0.000 0.783 172 E HN 0.092 nan 8.360 nan 0.000 0.505 173 D N 0.951 121.404 120.400 0.089 0.000 2.363 173 D HA 0.040 4.683 4.640 0.005 0.000 0.220 173 D C 1.720 178.057 176.300 0.063 0.000 0.994 173 D CA 0.291 54.358 54.000 0.111 0.000 0.890 173 D CB -0.003 40.912 40.800 0.192 0.000 0.906 173 D HN 0.301 nan 8.370 nan 0.000 0.530 174 I N 1.301 121.900 120.570 0.049 0.000 2.208 174 I HA -0.213 3.960 4.170 0.005 0.000 0.245 174 I C -0.617 175.518 176.117 0.031 0.000 1.097 174 I CA 1.153 62.469 61.300 0.027 0.000 1.363 174 I CB -1.127 36.889 38.000 0.026 0.000 1.051 174 I HN 0.017 nan 8.210 nan 0.000 0.413 175 P HA -0.199 nan 4.420 nan 0.000 0.216 175 P C 1.422 178.785 177.300 0.106 0.000 1.150 175 P CA 1.610 64.749 63.100 0.066 0.000 0.837 175 P CB -0.036 31.698 31.700 0.056 0.000 0.786 176 H N -0.454 118.618 119.070 0.005 0.000 2.307 176 H HA 0.016 4.576 4.556 0.006 0.000 0.303 176 H C 1.799 177.127 175.328 0.000 0.000 1.073 176 H CA 1.361 57.416 56.048 0.012 0.000 1.338 176 H CB -0.994 28.759 29.762 -0.016 0.000 1.389 176 H HN -0.077 nan 8.280 nan 0.000 0.503 177 L N -0.004 121.143 121.223 -0.127 0.000 2.083 177 L HA -0.139 4.204 4.340 0.005 0.000 0.209 177 L C 2.472 179.245 176.870 -0.161 0.000 1.083 177 L CA 1.591 56.287 54.840 -0.240 0.000 0.752 177 L CB -0.411 41.500 42.059 -0.247 0.000 0.899 177 L HN 0.197 nan 8.230 nan 0.000 0.433 178 K N -0.004 120.348 120.400 -0.079 0.000 2.097 178 K HA -0.229 4.094 4.320 0.005 0.000 0.205 178 K C 2.134 178.699 176.600 -0.058 0.000 1.050 178 K CA 1.392 57.643 56.287 -0.060 0.000 0.938 178 K CB -0.546 31.942 32.500 -0.020 0.000 0.718 178 K HN 0.245 nan 8.250 nan 0.000 0.442 179 Y N 0.785 121.017 120.300 -0.112 0.000 2.145 179 Y HA -0.144 4.411 4.550 0.007 0.000 0.286 179 Y C 1.543 177.361 175.900 -0.136 0.000 1.145 179 Y CA 1.823 59.863 58.100 -0.101 0.000 1.148 179 Y CB -0.188 38.218 38.460 -0.089 0.000 0.981 179 Y HN 0.011 nan 8.280 nan 0.000 0.507 180 L N -0.766 120.292 121.223 -0.274 0.000 2.046 180 L HA -0.248 4.095 4.340 0.005 0.000 0.208 180 L C 2.347 179.046 176.870 -0.285 0.000 1.077 180 L CA 1.945 56.584 54.840 -0.335 0.000 0.747 180 L CB -1.021 40.864 42.059 -0.290 0.000 0.896 180 L HN 0.213 nan 8.230 nan 0.000 0.432 181 T N -1.102 113.327 114.554 -0.208 0.000 2.821 181 T HA -0.157 4.196 4.350 0.005 0.000 0.267 181 T C 1.394 176.034 174.700 -0.099 0.000 1.046 181 T CA 1.333 63.352 62.100 -0.136 0.000 1.139 181 T CB -0.217 68.575 68.868 -0.126 0.000 0.871 181 T HN 0.289 nan 8.240 nan 0.000 0.454 182 D N 0.920 121.226 120.400 -0.157 0.000 2.178 182 D HA -0.051 4.592 4.640 0.005 0.000 0.202 182 D C 2.371 178.589 176.300 -0.137 0.000 0.974 182 D CA 0.725 54.651 54.000 -0.124 0.000 0.841 182 D CB -0.184 40.535 40.800 -0.136 0.000 0.953 182 D HN 0.210 nan 8.370 nan 0.000 0.478 183 Q N -0.419 119.217 119.800 -0.272 0.000 2.224 183 Q HA 0.051 4.394 4.340 0.005 0.000 0.203 183 Q C 2.096 178.075 176.000 -0.036 0.000 0.970 183 Q CA 0.607 56.277 55.803 -0.223 0.000 0.865 183 Q CB -0.211 28.300 28.738 -0.379 0.000 0.922 183 Q HN 0.436 nan 8.270 nan 0.000 0.445 184 M N -0.427 119.195 119.600 0.036 0.000 2.447 184 M HA -0.052 4.431 4.480 0.005 0.000 0.264 184 M C 1.680 178.240 176.300 0.433 0.000 1.095 184 M CA 1.587 57.074 55.300 0.311 0.000 1.125 184 M CB 0.079 32.848 32.600 0.282 0.000 1.389 184 M HN 0.238 nan 8.290 nan 0.000 0.459 185 T N -2.903 111.793 114.554 0.236 0.000 2.999 185 T HA 0.212 4.565 4.350 0.005 0.000 0.247 185 T C 1.113 175.941 174.700 0.213 0.000 1.012 185 T CA -0.221 61.991 62.100 0.188 0.000 1.048 185 T CB 0.263 69.202 68.868 0.117 0.000 1.020 185 T HN 0.231 nan 8.240 nan 0.000 0.478 186 R N 2.088 122.683 120.500 0.159 0.000 2.674 186 R HA 0.308 4.651 4.340 0.005 0.000 0.270 186 R C -2.963 173.374 176.300 0.061 0.000 1.492 186 R CA -1.608 54.595 56.100 0.171 0.000 1.624 186 R CB 1.143 31.517 30.300 0.124 0.000 1.307 186 R HN 0.338 nan 8.270 nan 0.000 0.683 187 P HA -0.075 nan 4.420 nan 0.000 0.262 187 P C -0.124 177.146 177.300 -0.050 0.000 1.182 187 P CA 0.426 63.486 63.100 -0.068 0.000 0.761 187 P CB 0.727 32.357 31.700 -0.115 0.000 0.795 188 D N 1.817 122.197 120.400 -0.034 0.000 2.340 188 D HA 0.056 4.699 4.640 0.005 0.000 0.220 188 D C 1.406 177.708 176.300 0.003 0.000 1.039 188 D CA 0.633 54.634 54.000 0.002 0.000 0.866 188 D CB -0.313 40.508 40.800 0.034 0.000 0.913 188 D HN 0.594 nan 8.370 nan 0.000 0.523 189 G N 0.010 108.803 108.800 -0.012 0.000 2.238 189 G HA2 -0.344 3.620 3.960 0.005 0.000 0.217 189 G HA3 -0.344 3.620 3.960 0.005 0.000 0.217 189 G C 1.303 176.215 174.900 0.021 0.000 0.996 189 G CA 0.594 45.692 45.100 -0.004 0.000 0.632 189 G HN 0.577 nan 8.290 nan 0.000 0.503 190 S N -0.475 115.257 115.700 0.054 0.000 2.423 190 S HA 0.416 4.889 4.470 0.005 0.000 0.231 190 S C 0.975 175.625 174.600 0.083 0.000 1.014 190 S CA 1.392 59.645 58.200 0.089 0.000 0.965 190 S CB 0.072 63.380 63.200 0.180 0.000 0.785 190 S HN 0.581 nan 8.310 nan 0.000 0.495 191 M N 1.660 121.290 119.600 0.050 0.000 2.433 191 M HA 0.319 4.802 4.480 0.005 0.000 0.290 191 M C -0.507 175.794 176.300 0.002 0.000 1.173 191 M CA -0.568 54.749 55.300 0.029 0.000 0.905 191 M CB 2.627 35.239 32.600 0.021 0.000 1.692 191 M HN 0.210 nan 8.290 nan 0.000 0.462 192 T N -1.307 113.254 114.554 0.012 0.000 2.788 192 T HA 0.236 4.589 4.350 0.005 0.000 0.287 192 T C 0.793 175.517 174.700 0.041 0.000 1.007 192 T CA -0.407 61.717 62.100 0.040 0.000 1.005 192 T CB 0.765 69.666 68.868 0.054 0.000 1.012 192 T HN 0.584 nan 8.240 nan 0.000 0.530 193 F N 1.637 121.584 119.950 -0.005 0.000 2.065 193 F HA -0.042 4.492 4.527 0.011 0.000 0.298 193 F C 2.592 178.366 175.800 -0.042 0.000 1.112 193 F CA 2.107 60.119 58.000 0.020 0.000 1.212 193 F CB -1.093 37.969 39.000 0.104 0.000 0.975 193 F HN 0.739 nan 8.300 nan 0.000 0.476 194 A N 0.027 122.931 122.820 0.140 0.000 1.892 194 A HA -0.271 4.052 4.320 0.005 0.000 0.218 194 A C 2.121 179.609 177.584 -0.160 0.000 1.188 194 A CA 2.139 54.163 52.037 -0.021 0.000 0.631 194 A CB -1.120 17.921 19.000 0.067 0.000 0.822 194 A HN 0.609 nan 8.150 nan 0.000 0.447 195 E N -0.564 119.581 120.200 -0.092 0.000 2.058 195 E HA -0.121 4.232 4.350 0.005 0.000 0.194 195 E C 2.353 178.869 176.600 -0.140 0.000 0.997 195 E CA 1.117 57.468 56.400 -0.080 0.000 0.801 195 E CB -0.306 29.379 29.700 -0.024 0.000 0.746 195 E HN 0.623 nan 8.360 nan 0.000 0.450 196 A N 1.341 124.040 122.820 -0.201 0.000 1.933 196 A HA -0.244 4.079 4.320 0.005 0.000 0.218 196 A C 2.038 179.408 177.584 -0.355 0.000 1.175 196 A CA 1.624 53.512 52.037 -0.248 0.000 0.628 196 A CB -0.380 18.448 19.000 -0.287 0.000 0.814 196 A HN 0.067 nan 8.150 nan 0.000 0.444 197 K N -0.197 119.848 120.400 -0.591 0.000 2.057 197 K HA -0.211 4.112 4.320 0.005 0.000 0.207 197 K C 2.109 178.334 176.600 -0.625 0.000 1.049 197 K CA 1.641 57.478 56.287 -0.750 0.000 0.931 197 K CB -0.186 31.675 32.500 -1.065 0.000 0.714 197 K HN 0.664 nan 8.250 nan 0.000 0.440 198 E N 0.043 120.016 120.200 -0.379 0.000 2.085 198 E HA -0.218 4.136 4.350 0.005 0.000 0.194 198 E C 1.699 178.284 176.600 -0.024 0.000 0.994 198 E CA 1.233 57.544 56.400 -0.149 0.000 0.801 198 E CB -0.145 29.512 29.700 -0.072 0.000 0.743 198 E HN 0.400 nan 8.360 nan 0.000 0.453 199 A N 0.931 123.726 122.820 -0.041 0.000 1.930 199 A HA -0.108 4.216 4.320 0.005 0.000 0.217 199 A C 2.129 179.772 177.584 0.099 0.000 1.175 199 A CA 1.079 53.154 52.037 0.063 0.000 0.627 199 A CB -0.570 18.472 19.000 0.070 0.000 0.815 199 A HN 0.389 nan 8.150 nan 0.000 0.443 200 L N -1.452 119.768 121.223 -0.005 0.000 2.046 200 L HA -0.144 4.200 4.340 0.005 0.000 0.208 200 L C 2.253 179.305 176.870 0.303 0.000 1.077 200 L CA 1.859 56.747 54.840 0.079 0.000 0.747 200 L CB -0.694 41.361 42.059 -0.006 0.000 0.896 200 L HN 0.461 nan 8.230 nan 0.000 0.432 201 Y N -0.396 119.959 120.300 0.091 0.000 2.220 201 Y HA -0.179 4.371 4.550 0.002 0.000 0.291 201 Y C 2.550 178.506 175.900 0.093 0.000 1.129 201 Y CA 1.118 59.266 58.100 0.080 0.000 1.161 201 Y CB -1.066 37.397 38.460 0.006 0.000 0.997 201 Y HN 0.419 nan 8.280 nan 0.000 0.522 202 D N -0.988 119.570 120.400 0.263 0.000 2.144 202 D HA -0.268 4.375 4.640 0.005 0.000 0.199 202 D C 2.140 178.556 176.300 0.193 0.000 0.984 202 D CA 1.086 55.195 54.000 0.181 0.000 0.834 202 D CB -0.385 40.502 40.800 0.146 0.000 0.955 202 D HN 0.335 nan 8.370 nan 0.000 0.465 203 Y N 0.499 120.877 120.300 0.131 0.000 2.224 203 Y HA -0.079 4.469 4.550 -0.003 0.000 0.289 203 Y C 1.721 177.680 175.900 0.099 0.000 1.146 203 Y CA 1.380 59.553 58.100 0.122 0.000 1.182 203 Y CB -0.161 38.401 38.460 0.170 0.000 0.983 203 Y HN 0.036 nan 8.280 nan 0.000 0.524 204 L N -0.478 120.864 121.223 0.198 0.000 2.131 204 L HA -0.142 4.201 4.340 0.005 0.000 0.206 204 L C 2.404 179.260 176.870 -0.024 0.000 1.087 204 L CA 0.849 55.732 54.840 0.073 0.000 0.767 204 L CB -0.470 41.705 42.059 0.193 0.000 0.917 204 L HN 0.251 nan 8.230 nan 0.000 0.441 205 I N 0.504 121.073 120.570 -0.001 0.000 2.113 205 I HA -0.265 3.908 4.170 0.005 0.000 0.242 205 I C -0.306 175.783 176.117 -0.047 0.000 1.064 205 I CA 1.811 63.096 61.300 -0.026 0.000 1.320 205 I CB -1.330 36.666 38.000 -0.008 0.000 1.028 205 I HN 0.263 nan 8.210 nan 0.000 0.406 206 P HA -0.064 nan 4.420 nan 0.000 0.222 206 P C 1.818 179.067 177.300 -0.086 0.000 1.153 206 P CA 1.428 64.485 63.100 -0.071 0.000 0.798 206 P CB -0.036 31.616 31.700 -0.081 0.000 0.796 207 I N -0.820 119.677 120.570 -0.122 0.000 2.353 207 I HA -0.160 4.013 4.170 0.005 0.000 0.248 207 I C 2.488 178.569 176.117 -0.061 0.000 1.119 207 I CA 1.103 62.336 61.300 -0.112 0.000 1.417 207 I CB -0.427 37.469 38.000 -0.173 0.000 1.078 207 I HN -0.180 nan 8.210 nan 0.000 0.421 208 I N 0.573 121.115 120.570 -0.047 0.000 2.252 208 I HA -0.255 3.918 4.170 0.005 0.000 0.245 208 I C 2.622 178.723 176.117 -0.027 0.000 1.102 208 I CA 1.197 62.481 61.300 -0.027 0.000 1.385 208 I CB -0.157 37.830 38.000 -0.021 0.000 1.064 208 I HN 0.188 nan 8.210 nan 0.000 0.414 209 E N 1.037 121.218 120.200 -0.033 0.000 2.077 209 E HA -0.295 4.058 4.350 0.005 0.000 0.193 209 E C 2.076 178.660 176.600 -0.027 0.000 0.989 209 E CA 1.609 57.992 56.400 -0.028 0.000 0.800 209 E CB -0.246 29.437 29.700 -0.029 0.000 0.746 209 E HN 0.428 nan 8.360 nan 0.000 0.452 210 Q N 0.051 119.830 119.800 -0.034 0.000 2.030 210 Q HA -0.192 4.152 4.340 0.005 0.000 0.204 210 Q C 2.134 178.118 176.000 -0.026 0.000 0.986 210 Q CA 1.859 57.642 55.803 -0.032 0.000 0.843 210 Q CB -0.088 28.625 28.738 -0.041 0.000 0.904 210 Q HN 0.204 nan 8.270 nan 0.000 0.420 211 R N -0.402 120.083 120.500 -0.026 0.000 2.280 211 R HA -0.005 4.338 4.340 0.005 0.000 0.207 211 R C 2.203 178.494 176.300 -0.016 0.000 1.043 211 R CA 0.638 56.726 56.100 -0.020 0.000 1.006 211 R CB 0.024 30.313 30.300 -0.019 0.000 0.885 211 R HN 0.240 nan 8.270 nan 0.000 0.467 212 R N 0.012 120.503 120.500 -0.015 0.000 2.119 212 R HA -0.039 4.305 4.340 0.005 0.000 0.222 212 R C 2.069 178.361 176.300 -0.012 0.000 1.088 212 R CA 0.764 56.857 56.100 -0.012 0.000 0.984 212 R CB 0.110 30.403 30.300 -0.011 0.000 0.884 212 R HN 0.081 nan 8.270 nan 0.000 0.447 213 Q N 0.830 120.621 119.800 -0.014 0.000 2.062 213 Q HA -0.017 4.326 4.340 0.005 0.000 0.196 213 Q C 0.075 176.067 176.000 -0.013 0.000 0.967 213 Q CA 1.474 57.269 55.803 -0.013 0.000 0.832 213 Q CB 0.322 29.051 28.738 -0.015 0.000 0.899 213 Q HN 0.185 nan 8.270 nan 0.000 0.442 214 K N 0.765 121.156 120.400 -0.015 0.000 2.687 214 K HA 0.370 4.694 4.320 0.005 0.000 0.197 214 K C -2.622 173.969 176.600 -0.015 0.000 1.049 214 K CA -1.532 54.747 56.287 -0.014 0.000 1.030 214 K CB 1.585 34.076 32.500 -0.015 0.000 1.261 214 K HN -0.079 nan 8.250 nan 0.000 0.565 215 P HA 0.015 nan 4.420 nan 0.000 0.269 215 P C 0.175 177.466 177.300 -0.015 0.000 1.209 215 P CA -0.055 63.036 63.100 -0.014 0.000 0.776 215 P CB 1.027 32.719 31.700 -0.012 0.000 0.876 216 G N 0.268 109.058 108.800 -0.017 0.000 2.990 216 G HA2 0.483 4.446 3.960 0.005 0.000 0.208 216 G HA3 0.483 4.446 3.960 0.005 0.000 0.208 216 G C 0.264 175.152 174.900 -0.020 0.000 1.334 216 G CA -0.146 44.942 45.100 -0.019 0.000 1.024 216 G HN 0.437 nan 8.290 nan 0.000 0.574 217 T N -1.739 112.801 114.554 -0.024 0.000 3.040 217 T HA 0.200 4.553 4.350 0.005 0.000 0.266 217 T C 0.410 175.089 174.700 -0.035 0.000 1.005 217 T CA 0.360 62.445 62.100 -0.026 0.000 0.906 217 T CB -0.169 68.685 68.868 -0.024 0.000 1.082 217 T HN 0.581 nan 8.240 nan 0.000 0.531 218 D N 1.260 121.635 120.400 -0.041 0.000 2.360 218 D HA 0.339 4.982 4.640 0.005 0.000 0.242 218 D C 1.450 177.717 176.300 -0.056 0.000 1.184 218 D CA -0.070 53.894 54.000 -0.061 0.000 0.930 218 D CB 1.464 42.226 40.800 -0.064 0.000 1.161 218 D HN 0.103 nan 8.370 nan 0.000 0.447 219 A N 1.326 124.097 122.820 -0.082 0.000 1.940 219 A HA -0.163 4.161 4.320 0.005 0.000 0.219 219 A C 2.367 179.937 177.584 -0.023 0.000 1.176 219 A CA 1.126 53.129 52.037 -0.056 0.000 0.631 219 A CB -0.780 18.162 19.000 -0.097 0.000 0.814 219 A HN 0.678 nan 8.150 nan 0.000 0.446 220 I N -0.465 120.090 120.570 -0.025 0.000 2.286 220 I HA -0.211 3.962 4.170 0.005 0.000 0.248 220 I C 2.620 178.737 176.117 0.001 0.000 1.115 220 I CA 1.380 62.684 61.300 0.006 0.000 1.392 220 I CB -0.310 37.699 38.000 0.015 0.000 1.065 220 I HN 0.224 nan 8.210 nan 0.000 0.418 221 S N 0.805 116.499 115.700 -0.011 0.000 2.382 221 S HA -0.085 4.388 4.470 0.005 0.000 0.228 221 S C 2.009 176.606 174.600 -0.005 0.000 1.027 221 S CA 1.183 59.377 58.200 -0.010 0.000 0.991 221 S CB -0.217 62.973 63.200 -0.017 0.000 0.823 221 S HN 0.325 nan 8.310 nan 0.000 0.469 222 I N 0.801 121.367 120.570 -0.006 0.000 2.252 222 I HA -0.132 4.041 4.170 0.005 0.000 0.245 222 I C 2.147 178.270 176.117 0.009 0.000 1.102 222 I CA 0.799 62.097 61.300 -0.002 0.000 1.385 222 I CB -0.337 37.659 38.000 -0.006 0.000 1.064 222 I HN 0.144 nan 8.210 nan 0.000 0.414 223 V N 0.954 120.880 119.914 0.019 0.000 2.270 223 V HA -0.284 3.839 4.120 0.005 0.000 0.245 223 V C 2.676 178.791 176.094 0.034 0.000 1.043 223 V CA 2.096 64.419 62.300 0.038 0.000 1.014 223 V CB -0.966 30.889 31.823 0.053 0.000 0.645 223 V HN 0.491 nan 8.190 nan 0.000 0.447 224 A N 0.162 122.995 122.820 0.023 0.000 2.019 224 A HA -0.197 4.126 4.320 0.005 0.000 0.219 224 A C 1.714 179.304 177.584 0.011 0.000 1.164 224 A CA 2.106 54.153 52.037 0.016 0.000 0.644 224 A CB -0.665 18.339 19.000 0.007 0.000 0.805 224 A HN 0.702 nan 8.150 nan 0.000 0.449 225 N N -0.645 118.058 118.700 0.006 0.000 2.251 225 N HA 0.324 5.067 4.740 0.005 0.000 0.217 225 N C 0.604 176.115 175.510 0.001 0.000 1.124 225 N CA 0.310 53.360 53.050 0.001 0.000 0.843 225 N CB 0.682 39.167 38.487 -0.004 0.000 1.024 225 N HN 0.425 nan 8.380 nan 0.000 0.501 226 G N -0.264 108.540 108.800 0.007 0.000 2.557 226 G HA2 0.386 4.349 3.960 0.005 0.000 0.292 226 G HA3 0.386 4.349 3.960 0.005 0.000 0.292 226 G C -0.532 174.363 174.900 -0.008 0.000 1.237 226 G CA -0.348 44.753 45.100 0.001 0.000 0.978 226 G HN 0.080 nan 8.290 nan 0.000 0.498 227 Q N -1.355 118.431 119.800 -0.025 0.000 2.377 227 Q HA 0.507 4.850 4.340 0.005 0.000 0.271 227 Q C -0.867 175.081 176.000 -0.085 0.000 1.077 227 Q CA -0.900 54.876 55.803 -0.046 0.000 0.820 227 Q CB 2.769 31.481 28.738 -0.044 0.000 1.347 227 Q HN 0.510 nan 8.270 nan 0.000 0.444 228 V N -0.055 119.777 119.914 -0.137 0.000 2.378 228 V HA 0.428 4.551 4.120 0.005 0.000 0.288 228 V C -0.347 175.617 176.094 -0.216 0.000 1.016 228 V CA -0.969 61.176 62.300 -0.259 0.000 0.840 228 V CB 1.194 32.686 31.823 -0.552 0.000 0.994 228 V HN 0.832 nan 8.190 nan 0.000 0.431 229 N N 3.831 122.426 118.700 -0.175 0.000 2.707 229 N HA -0.178 4.566 4.740 0.005 0.000 0.253 229 N C 1.312 176.766 175.510 -0.093 0.000 0.998 229 N CA 2.038 55.013 53.050 -0.125 0.000 0.751 229 N CB -1.162 37.243 38.487 -0.137 0.000 0.920 229 N HN 2.008 nan 8.380 nan 0.000 0.539 230 G N -1.789 106.964 108.800 -0.078 0.000 2.176 230 G HA2 -0.362 3.602 3.960 0.005 0.000 0.253 230 G HA3 -0.362 3.602 3.960 0.005 0.000 0.253 230 G C 0.015 174.883 174.900 -0.053 0.000 0.979 230 G CA 0.687 45.753 45.100 -0.057 0.000 0.641 230 G HN 0.889 nan 8.290 nan 0.000 0.530 231 R N -0.637 119.824 120.500 -0.065 0.000 2.750 231 R HA 0.744 5.088 4.340 0.005 0.000 0.281 231 R C -3.272 173.001 176.300 -0.044 0.000 0.972 231 R CA -2.579 53.492 56.100 -0.048 0.000 0.912 231 R CB 0.541 30.816 30.300 -0.041 0.000 1.187 231 R HN 0.031 nan 8.270 nan 0.000 0.464 232 P HA -0.012 nan 4.420 nan 0.000 0.262 232 P C -0.103 177.197 177.300 0.000 0.000 1.199 232 P CA -0.017 63.075 63.100 -0.012 0.000 0.763 232 P CB 0.353 32.049 31.700 -0.007 0.000 0.790 233 I N 2.917 123.493 120.570 0.010 0.000 3.045 233 I HA -0.010 4.164 4.170 0.005 0.000 0.288 233 I C 0.921 177.068 176.117 0.050 0.000 1.238 233 I CA 0.507 61.839 61.300 0.053 0.000 1.396 233 I CB 0.713 38.758 38.000 0.076 0.000 1.355 233 I HN 0.391 nan 8.210 nan 0.000 0.601 234 T N 1.970 116.566 114.554 0.070 0.000 2.927 234 T HA 0.252 4.605 4.350 0.005 0.000 0.281 234 T C 0.988 175.698 174.700 0.018 0.000 0.998 234 T CA -0.413 61.708 62.100 0.036 0.000 1.019 234 T CB 1.654 70.541 68.868 0.031 0.000 1.061 234 T HN 0.643 nan 8.240 nan 0.000 0.518 235 S N 0.770 116.467 115.700 -0.004 0.000 2.353 235 S HA -0.146 4.327 4.470 0.005 0.000 0.222 235 S C 1.720 176.289 174.600 -0.051 0.000 1.035 235 S CA 1.501 59.688 58.200 -0.023 0.000 1.025 235 S CB -0.633 62.550 63.200 -0.028 0.000 0.902 235 S HN 0.817 nan 8.310 nan 0.000 0.440 236 D N 0.835 121.200 120.400 -0.059 0.000 2.123 236 D HA -0.093 4.550 4.640 0.005 0.000 0.196 236 D C 2.057 178.280 176.300 -0.128 0.000 0.992 236 D CA 1.051 54.984 54.000 -0.112 0.000 0.833 236 D CB -0.266 40.484 40.800 -0.083 0.000 0.954 236 D HN 0.515 nan 8.370 nan 0.000 0.455 237 E N 0.475 120.641 120.200 -0.058 0.000 2.077 237 E HA -0.118 4.236 4.350 0.005 0.000 0.193 237 E C 2.097 178.683 176.600 -0.024 0.000 0.989 237 E CA 0.988 57.358 56.400 -0.049 0.000 0.800 237 E CB -0.047 29.717 29.700 0.107 0.000 0.746 237 E HN 0.180 nan 8.360 nan 0.000 0.452 238 A N 1.707 124.531 122.820 0.007 0.000 1.972 238 A HA -0.232 4.092 4.320 0.005 0.000 0.219 238 A C 2.073 179.649 177.584 -0.013 0.000 1.169 238 A CA 1.526 53.577 52.037 0.022 0.000 0.635 238 A CB -0.378 18.634 19.000 0.019 0.000 0.810 238 A HN 0.070 nan 8.150 nan 0.000 0.446 239 K N -0.199 120.147 120.400 -0.090 0.000 2.103 239 K HA -0.116 4.207 4.320 0.005 0.000 0.204 239 K C 2.139 178.618 176.600 -0.202 0.000 1.052 239 K CA 1.179 57.369 56.287 -0.161 0.000 0.945 239 K CB -0.187 32.139 32.500 -0.290 0.000 0.722 239 K HN 0.469 nan 8.250 nan 0.000 0.443 240 R N 0.172 120.527 120.500 -0.241 0.000 2.115 240 R HA -0.066 4.277 4.340 0.005 0.000 0.230 240 R C 2.408 178.807 176.300 0.164 0.000 1.111 240 R CA 1.595 57.666 56.100 -0.049 0.000 0.976 240 R CB -0.233 29.993 30.300 -0.122 0.000 0.870 240 R HN 0.314 nan 8.270 nan 0.000 0.445 241 M N -0.107 119.534 119.600 0.068 0.000 2.193 241 M HA -0.105 4.378 4.480 0.005 0.000 0.265 241 M C 1.872 178.242 176.300 0.118 0.000 1.071 241 M CA 1.469 56.828 55.300 0.099 0.000 1.140 241 M CB 0.042 32.699 32.600 0.095 0.000 1.369 241 M HN 0.188 nan 8.290 nan 0.000 0.423 242 C N 0.798 120.170 119.300 0.120 0.000 2.419 242 C HA -0.031 4.432 4.460 0.005 0.000 0.281 242 C C 2.718 177.809 174.990 0.169 0.000 1.336 242 C CA 0.992 60.095 59.018 0.142 0.000 1.770 242 C CB -1.864 25.953 27.740 0.129 0.000 1.929 242 C HN 0.823 nan 8.230 nan 0.000 0.509 243 G N 0.064 109.009 108.800 0.242 0.000 2.402 243 G HA2 -0.141 3.823 3.960 0.005 0.000 0.216 243 G HA3 -0.141 3.823 3.960 0.005 0.000 0.216 243 G C 1.604 176.392 174.900 -0.186 0.000 1.162 243 G CA 0.372 45.645 45.100 0.288 0.000 0.777 243 G HN 0.455 nan 8.290 nan 0.000 0.539 244 L N 0.438 121.501 121.223 -0.267 0.000 2.017 244 L HA 0.038 4.381 4.340 0.005 0.000 0.208 244 L C 2.796 179.498 176.870 -0.280 0.000 1.073 244 L CA 1.453 55.959 54.840 -0.557 0.000 0.745 244 L CB -0.624 41.316 42.059 -0.198 0.000 0.894 244 L HN 0.217 nan 8.230 nan 0.000 0.432 245 L N -0.547 120.633 121.223 -0.072 0.000 2.042 245 L HA -0.287 4.056 4.340 0.005 0.000 0.210 245 L C 2.712 179.474 176.870 -0.180 0.000 1.076 245 L CA 1.127 55.978 54.840 0.018 0.000 0.749 245 L CB -0.433 41.773 42.059 0.245 0.000 0.893 245 L HN 0.317 nan 8.230 nan 0.000 0.432 246 L N -1.074 120.075 121.223 -0.123 0.000 2.017 246 L HA -0.201 4.142 4.340 0.005 0.000 0.208 246 L C 2.506 179.134 176.870 -0.402 0.000 1.073 246 L CA 0.917 55.609 54.840 -0.248 0.000 0.745 246 L CB -0.391 41.671 42.059 0.005 0.000 0.894 246 L HN 0.051 nan 8.230 nan 0.000 0.432 247 V N -0.023 119.685 119.914 -0.344 0.000 2.343 247 V HA -0.218 3.905 4.120 0.005 0.000 0.247 247 V C 2.594 178.525 176.094 -0.273 0.000 1.051 247 V CA 1.973 64.093 62.300 -0.301 0.000 1.036 247 V CB -1.267 30.346 31.823 -0.350 0.000 0.654 247 V HN 0.587 nan 8.190 nan 0.000 0.451 248 G N -0.129 108.494 108.800 -0.296 0.000 2.432 248 G HA2 -0.136 3.827 3.960 0.005 0.000 0.219 248 G HA3 -0.136 3.827 3.960 0.005 0.000 0.219 248 G C 1.481 176.180 174.900 -0.334 0.000 1.135 248 G CA 0.956 45.916 45.100 -0.233 0.000 0.767 248 G HN 0.612 nan 8.290 nan 0.000 0.550 249 G N -0.337 108.056 108.800 -0.679 0.000 2.744 249 G HA2 0.228 4.191 3.960 0.005 0.000 0.211 249 G HA3 0.228 4.191 3.960 0.005 0.000 0.211 249 G C 1.211 175.815 174.900 -0.493 0.000 1.146 249 G CA 0.037 44.646 45.100 -0.819 0.000 0.787 249 G HN 0.297 nan 8.290 nan 0.000 0.534 250 L N -0.045 120.945 121.223 -0.388 0.000 2.640 250 L HA 0.390 4.733 4.340 0.005 0.000 0.230 250 L C 1.305 178.100 176.870 -0.126 0.000 1.123 250 L CA 0.674 55.389 54.840 -0.209 0.000 0.900 250 L CB 0.981 42.925 42.059 -0.192 0.000 1.146 250 L HN 0.018 nan 8.230 nan 0.000 0.484 251 D N -2.234 118.101 120.400 -0.107 0.000 2.680 251 D HA -0.019 4.624 4.640 0.005 0.000 0.295 251 D C 2.046 178.342 176.300 -0.007 0.000 1.097 251 D CA 1.291 55.263 54.000 -0.048 0.000 0.952 251 D CB 0.489 41.271 40.800 -0.030 0.000 1.491 251 D HN 0.182 nan 8.370 nan 0.000 0.486 252 T N -0.800 113.751 114.554 -0.005 0.000 2.668 252 T HA -0.090 4.263 4.350 0.005 0.000 0.262 252 T C 2.111 176.875 174.700 0.107 0.000 1.045 252 T CA 1.575 63.703 62.100 0.045 0.000 1.152 252 T CB -0.958 67.926 68.868 0.025 0.000 0.864 252 T HN -0.065 nan 8.240 nan 0.000 0.419 253 V N 1.750 121.719 119.914 0.091 0.000 2.287 253 V HA -0.180 3.943 4.120 0.005 0.000 0.248 253 V C 2.959 179.164 176.094 0.186 0.000 1.053 253 V CA 1.558 63.959 62.300 0.170 0.000 1.027 253 V CB -1.015 30.875 31.823 0.112 0.000 0.646 253 V HN 0.381 nan 8.190 nan 0.000 0.447 254 V N 0.669 120.634 119.914 0.085 0.000 2.231 254 V HA -0.350 3.774 4.120 0.005 0.000 0.250 254 V C 2.320 178.442 176.094 0.047 0.000 1.058 254 V CA 2.617 64.945 62.300 0.047 0.000 1.022 254 V CB -0.804 31.013 31.823 -0.010 0.000 0.640 254 V HN 0.608 nan 8.190 nan 0.000 0.445 255 N N -1.018 117.705 118.700 0.038 0.000 2.216 255 N HA -0.113 4.630 4.740 0.005 0.000 0.183 255 N C 1.765 177.276 175.510 0.001 0.000 1.017 255 N CA 1.418 54.434 53.050 -0.057 0.000 0.861 255 N CB -0.286 38.197 38.487 -0.008 0.000 0.986 255 N HN 0.529 nan 8.380 nan 0.000 0.428 256 F N 2.314 122.327 119.950 0.104 0.000 2.161 256 F HA -0.075 4.454 4.527 0.005 0.000 0.300 256 F C 2.123 178.003 175.800 0.132 0.000 1.089 256 F CA 0.987 59.103 58.000 0.193 0.000 1.282 256 F CB -0.336 38.734 39.000 0.116 0.000 1.010 256 F HN -0.075 nan 8.300 nan 0.000 0.485 257 L N -0.783 120.494 121.223 0.090 0.000 2.042 257 L HA -0.254 4.089 4.340 0.005 0.000 0.210 257 L C 2.546 179.407 176.870 -0.015 0.000 1.076 257 L CA 1.519 56.414 54.840 0.091 0.000 0.749 257 L CB -0.965 41.326 42.059 0.387 0.000 0.893 257 L HN 0.079 nan 8.230 nan 0.000 0.432 258 S N -0.547 115.148 115.700 -0.008 0.000 2.368 258 S HA -0.112 4.361 4.470 0.005 0.000 0.224 258 S C 1.769 176.122 174.600 -0.411 0.000 1.029 258 S CA 1.147 59.274 58.200 -0.121 0.000 0.988 258 S CB -0.291 62.816 63.200 -0.153 0.000 0.838 258 S HN 0.201 nan 8.310 nan 0.000 0.462 259 F N 2.255 121.968 119.950 -0.393 0.000 2.069 259 F HA -0.116 4.414 4.527 0.005 0.000 0.298 259 F C 2.804 178.068 175.800 -0.893 0.000 1.113 259 F CA 1.027 58.649 58.000 -0.630 0.000 1.214 259 F CB -1.136 37.483 39.000 -0.635 0.000 0.978 259 F HN 0.094 nan 8.300 nan 0.000 0.474 260 S N -0.139 115.143 115.700 -0.697 0.000 2.353 260 S HA -0.218 4.255 4.470 0.005 0.000 0.222 260 S C 2.122 176.518 174.600 -0.340 0.000 1.035 260 S CA 1.448 59.316 58.200 -0.552 0.000 1.025 260 S CB -0.341 62.587 63.200 -0.453 0.000 0.902 260 S HN 0.208 nan 8.310 nan 0.000 0.440 261 M N 1.178 120.491 119.600 -0.478 0.000 2.229 261 M HA -0.042 4.441 4.480 0.005 0.000 0.264 261 M C 2.237 178.318 176.300 -0.366 0.000 1.063 261 M CA 1.160 56.101 55.300 -0.598 0.000 1.114 261 M CB -1.183 30.568 32.600 -1.415 0.000 1.387 261 M HN 0.463 nan 8.290 nan 0.000 0.420 262 E N -0.014 120.000 120.200 -0.309 0.000 2.051 262 E HA -0.233 4.121 4.350 0.005 0.000 0.192 262 E C 2.010 178.547 176.600 -0.105 0.000 0.991 262 E CA 1.217 57.526 56.400 -0.151 0.000 0.799 262 E CB -0.222 29.434 29.700 -0.074 0.000 0.748 262 E HN 0.383 nan 8.360 nan 0.000 0.449 263 F N 1.440 121.220 119.950 -0.283 0.000 2.095 263 F HA -0.176 4.354 4.527 0.005 0.000 0.298 263 F C 1.991 177.715 175.800 -0.127 0.000 1.104 263 F CA 1.424 59.310 58.000 -0.190 0.000 1.232 263 F CB -0.217 38.639 39.000 -0.240 0.000 0.987 263 F HN -0.001 nan 8.300 nan 0.000 0.475 264 L N 0.041 121.155 121.223 -0.182 0.000 2.131 264 L HA -0.185 4.158 4.340 0.005 0.000 0.210 264 L C 2.751 179.361 176.870 -0.432 0.000 1.092 264 L CA 1.073 55.762 54.840 -0.252 0.000 0.759 264 L CB -1.109 40.985 42.059 0.059 0.000 0.903 264 L HN 0.299 nan 8.230 nan 0.000 0.435 265 A N -0.275 122.371 122.820 -0.290 0.000 2.014 265 A HA -0.152 4.171 4.320 0.005 0.000 0.218 265 A C 2.210 179.607 177.584 -0.312 0.000 1.163 265 A CA 1.248 53.069 52.037 -0.360 0.000 0.652 265 A CB -0.181 18.833 19.000 0.022 0.000 0.808 265 A HN 0.312 nan 8.150 nan 0.000 0.449 266 K N -0.844 119.376 120.400 -0.300 0.000 2.393 266 K HA 0.119 4.442 4.320 0.005 0.000 0.193 266 K C 0.191 176.605 176.600 -0.311 0.000 1.026 266 K CA 0.500 56.642 56.287 -0.242 0.000 1.064 266 K CB 0.312 32.715 32.500 -0.161 0.000 0.833 266 K HN 0.248 nan 8.250 nan 0.000 0.521 267 S N 1.181 116.612 115.700 -0.449 0.000 2.389 267 S HA 0.246 4.719 4.470 0.005 0.000 0.201 267 S C -2.291 172.153 174.600 -0.261 0.000 1.422 267 S CA -1.756 56.217 58.200 -0.378 0.000 1.216 267 S CB 0.736 63.551 63.200 -0.641 0.000 1.130 267 S HN -0.115 nan 8.310 nan 0.000 0.465 268 P HA -0.126 nan 4.420 nan 0.000 0.216 268 P C 1.091 178.322 177.300 -0.115 0.000 1.150 268 P CA 1.187 64.182 63.100 -0.176 0.000 0.837 268 P CB 0.164 31.777 31.700 -0.144 0.000 0.786 269 E N -1.153 118.979 120.200 -0.113 0.000 2.153 269 E HA -0.213 4.140 4.350 0.005 0.000 0.194 269 E C 1.928 178.440 176.600 -0.147 0.000 0.988 269 E CA 1.109 57.425 56.400 -0.139 0.000 0.811 269 E CB -0.580 28.998 29.700 -0.203 0.000 0.746 269 E HN 0.513 nan 8.360 nan 0.000 0.466 270 H N 0.043 119.062 119.070 -0.086 0.000 2.403 270 H HA 0.084 4.644 4.556 0.006 0.000 0.298 270 H C 2.109 177.538 175.328 0.169 0.000 1.059 270 H CA 0.823 56.887 56.048 0.026 0.000 1.363 270 H CB 0.168 29.924 29.762 -0.010 0.000 1.410 270 H HN -0.008 nan 8.280 nan 0.000 0.528 271 R N 0.277 120.861 120.500 0.139 0.000 2.070 271 R HA -0.181 4.162 4.340 0.005 0.000 0.233 271 R C 2.226 178.581 176.300 0.091 0.000 1.137 271 R CA 1.518 57.676 56.100 0.097 0.000 0.945 271 R CB -0.231 30.034 30.300 -0.058 0.000 0.845 271 R HN 0.242 nan 8.270 nan 0.000 0.430 272 Q N 1.155 120.976 119.800 0.034 0.000 2.112 272 Q HA -0.217 4.126 4.340 0.005 0.000 0.206 272 Q C 1.800 177.835 176.000 0.057 0.000 0.987 272 Q CA 1.882 57.702 55.803 0.028 0.000 0.858 272 Q CB -0.137 28.595 28.738 -0.010 0.000 0.905 272 Q HN 0.354 nan 8.270 nan 0.000 0.420 273 E N -0.793 119.456 120.200 0.081 0.000 2.085 273 E HA -0.188 4.165 4.350 0.005 0.000 0.194 273 E C 1.771 178.462 176.600 0.151 0.000 0.994 273 E CA 1.244 57.716 56.400 0.119 0.000 0.801 273 E CB -0.123 29.695 29.700 0.196 0.000 0.743 273 E HN 0.437 nan 8.360 nan 0.000 0.453 274 L N 0.347 121.684 121.223 0.190 0.000 2.109 274 L HA -0.102 4.241 4.340 0.005 0.000 0.207 274 L C 2.446 179.369 176.870 0.088 0.000 1.086 274 L CA 0.484 55.403 54.840 0.130 0.000 0.760 274 L CB -0.288 41.846 42.059 0.126 0.000 0.910 274 L HN 0.224 nan 8.230 nan 0.000 0.437 275 I N -0.221 120.401 120.570 0.088 0.000 2.099 275 I HA -0.349 3.824 4.170 0.005 0.000 0.239 275 I C 2.675 178.821 176.117 0.048 0.000 1.066 275 I CA 1.578 62.915 61.300 0.062 0.000 1.324 275 I CB -0.358 37.674 38.000 0.053 0.000 1.037 275 I HN 0.312 nan 8.210 nan 0.000 0.401 276 Q N 0.408 120.237 119.800 0.048 0.000 2.050 276 Q HA -0.077 4.266 4.340 0.005 0.000 0.202 276 Q C 0.574 176.600 176.000 0.042 0.000 0.980 276 Q CA 1.159 56.985 55.803 0.039 0.000 0.840 276 Q CB 0.032 28.789 28.738 0.032 0.000 0.898 276 Q HN 0.423 nan 8.270 nan 0.000 0.424 277 R N 0.885 121.418 120.500 0.055 0.000 2.443 277 R HA 0.184 4.527 4.340 0.005 0.000 0.287 277 R C -2.155 174.174 176.300 0.049 0.000 1.425 277 R CA -1.378 54.752 56.100 0.050 0.000 1.300 277 R CB 1.110 31.444 30.300 0.056 0.000 1.129 277 R HN 0.112 nan 8.270 nan 0.000 0.577 278 P HA -0.196 nan 4.420 nan 0.000 0.225 278 P C 0.814 178.129 177.300 0.025 0.000 1.148 278 P CA 1.108 64.227 63.100 0.032 0.000 0.779 278 P CB 0.399 32.118 31.700 0.031 0.000 0.780 279 E N 0.859 121.076 120.200 0.028 0.000 2.418 279 E HA -0.137 4.216 4.350 0.005 0.000 0.197 279 E C 1.564 178.179 176.600 0.024 0.000 1.026 279 E CA 0.579 56.995 56.400 0.027 0.000 0.862 279 E CB -0.609 29.108 29.700 0.029 0.000 0.799 279 E HN 0.306 nan 8.360 nan 0.000 0.518 280 R N 0.296 120.809 120.500 0.022 0.000 2.310 280 R HA 0.264 4.607 4.340 0.005 0.000 0.202 280 R C 2.216 178.483 176.300 -0.056 0.000 0.933 280 R CA 0.050 56.156 56.100 0.011 0.000 1.054 280 R CB -0.100 30.230 30.300 0.050 0.000 0.985 280 R HN 0.213 nan 8.270 nan 0.000 0.489 281 I N 1.608 122.148 120.570 -0.048 0.000 2.179 281 I HA -0.199 3.974 4.170 0.005 0.000 0.242 281 I C -0.796 175.283 176.117 -0.063 0.000 1.088 281 I CA 1.370 62.621 61.300 -0.083 0.000 1.357 281 I CB -1.030 36.955 38.000 -0.026 0.000 1.051 281 I HN 0.043 nan 8.210 nan 0.000 0.409 282 P HA -0.161 nan 4.420 nan 0.000 0.215 282 P C 1.413 178.722 177.300 0.015 0.000 1.153 282 P CA 1.765 64.877 63.100 0.020 0.000 0.853 282 P CB -0.027 31.695 31.700 0.036 0.000 0.788 283 A N -0.194 122.629 122.820 0.005 0.000 1.968 283 A HA 0.017 4.341 4.320 0.005 0.000 0.217 283 A C 2.293 179.872 177.584 -0.008 0.000 1.169 283 A CA 1.716 53.771 52.037 0.029 0.000 0.638 283 A CB -1.474 17.561 19.000 0.058 0.000 0.812 283 A HN 0.190 nan 8.150 nan 0.000 0.446 284 A N -0.987 121.717 122.820 -0.193 0.000 1.930 284 A HA -0.154 4.169 4.320 0.005 0.000 0.217 284 A C 2.346 179.822 177.584 -0.180 0.000 1.175 284 A CA 1.498 53.213 52.037 -0.537 0.000 0.627 284 A CB -1.359 16.851 19.000 -1.317 0.000 0.815 284 A HN 0.831 nan 8.150 nan 0.000 0.443 285 C N -0.449 118.811 119.300 -0.067 0.000 2.432 285 C HA -0.125 4.338 4.460 0.005 0.000 0.277 285 C C 2.559 177.604 174.990 0.092 0.000 1.249 285 C CA 1.874 60.934 59.018 0.071 0.000 1.725 285 C CB -1.008 26.783 27.740 0.085 0.000 2.028 285 C HN 0.687 nan 8.230 nan 0.000 0.477 286 E N 0.659 120.899 120.200 0.068 0.000 2.077 286 E HA -0.215 4.138 4.350 0.005 0.000 0.193 286 E C 2.069 178.690 176.600 0.036 0.000 0.989 286 E CA 1.974 58.412 56.400 0.064 0.000 0.800 286 E CB -0.372 29.397 29.700 0.115 0.000 0.746 286 E HN 0.770 nan 8.360 nan 0.000 0.452 287 E N 0.013 120.270 120.200 0.095 0.000 2.110 287 E HA -0.131 4.222 4.350 0.005 0.000 0.193 287 E C 1.907 178.550 176.600 0.072 0.000 0.988 287 E CA 1.170 57.636 56.400 0.111 0.000 0.804 287 E CB -0.306 29.552 29.700 0.263 0.000 0.745 287 E HN 0.368 nan 8.360 nan 0.000 0.458 288 L N -0.141 121.189 121.223 0.178 0.000 2.093 288 L HA -0.103 4.240 4.340 0.005 0.000 0.208 288 L C 2.501 179.580 176.870 0.349 0.000 1.085 288 L CA 0.712 55.725 54.840 0.288 0.000 0.755 288 L CB -0.366 41.936 42.059 0.406 0.000 0.904 288 L HN 0.197 nan 8.230 nan 0.000 0.435 289 L N -0.422 120.893 121.223 0.154 0.000 2.083 289 L HA -0.221 4.122 4.340 0.005 0.000 0.209 289 L C 2.879 179.515 176.870 -0.389 0.000 1.083 289 L CA 1.191 55.869 54.840 -0.271 0.000 0.752 289 L CB -0.437 41.251 42.059 -0.618 0.000 0.899 289 L HN 0.264 nan 8.230 nan 0.000 0.433 290 R N 0.341 120.620 120.500 -0.368 0.000 2.062 290 R HA -0.215 4.128 4.340 0.005 0.000 0.231 290 R C 2.469 178.602 176.300 -0.279 0.000 1.136 290 R CA 1.718 57.636 56.100 -0.304 0.000 0.948 290 R CB -0.123 30.095 30.300 -0.137 0.000 0.845 290 R HN 0.104 nan 8.270 nan 0.000 0.430 291 R N -0.206 120.081 120.500 -0.355 0.000 2.092 291 R HA -0.071 4.273 4.340 0.005 0.000 0.231 291 R C 0.530 176.297 176.300 -0.888 0.000 1.119 291 R CA 1.532 57.230 56.100 -0.669 0.000 0.970 291 R CB -0.111 29.629 30.300 -0.934 0.000 0.864 291 R HN 0.243 nan 8.270 nan 0.000 0.440 292 F N 0.393 120.250 119.950 -0.156 0.000 2.923 292 F HA 0.426 4.956 4.527 0.005 0.000 0.314 292 F C 0.302 176.007 175.800 -0.159 0.000 1.196 292 F CA -0.551 57.307 58.000 -0.237 0.000 1.320 292 F CB 0.090 38.942 39.000 -0.247 0.000 0.953 292 F HN -0.115 nan 8.300 nan 0.000 0.505 293 S N 1.766 117.375 115.700 -0.151 0.000 2.563 293 S HA 0.270 4.744 4.470 0.005 0.000 0.284 293 S C 0.846 175.281 174.600 -0.276 0.000 1.331 293 S CA -0.034 58.031 58.200 -0.226 0.000 1.047 293 S CB 0.477 63.508 63.200 -0.281 0.000 0.859 293 S HN 0.569 nan 8.310 nan 0.000 0.514 294 L N 2.057 123.131 121.223 -0.248 0.000 3.664 294 L HA 0.578 4.922 4.340 0.005 0.000 0.341 294 L C -0.916 175.791 176.870 -0.270 0.000 1.247 294 L CA -0.578 54.106 54.840 -0.260 0.000 1.133 294 L CB 0.180 42.222 42.059 -0.029 0.000 1.498 294 L HN 0.333 nan 8.230 nan 0.000 0.628 295 V N 1.821 121.570 119.914 -0.275 0.000 2.547 295 V HA 0.849 4.972 4.120 0.005 0.000 0.299 295 V C 0.247 176.152 176.094 -0.316 0.000 1.040 295 V CA 0.064 62.221 62.300 -0.238 0.000 0.913 295 V CB 1.595 33.324 31.823 -0.158 0.000 0.992 295 V HN 0.342 nan 8.190 nan 0.000 0.449 296 A N 3.268 125.914 122.820 -0.290 0.000 2.768 296 A HA 0.676 4.999 4.320 0.005 0.000 0.299 296 A C -0.647 176.856 177.584 -0.135 0.000 1.171 296 A CA -0.656 51.239 52.037 -0.237 0.000 0.759 296 A CB 0.494 19.236 19.000 -0.430 0.000 1.267 296 A HN 0.843 nan 8.150 nan 0.000 0.421 297 D N 1.311 121.678 120.400 -0.055 0.000 2.577 297 D HA 0.865 5.508 4.640 0.005 0.000 0.248 297 D C 0.615 176.943 176.300 0.045 0.000 1.181 297 D CA 0.053 54.019 54.000 -0.057 0.000 1.083 297 D CB 0.612 41.405 40.800 -0.012 0.000 1.198 297 D HN 0.970 nan 8.370 nan 0.000 0.626 298 G N -2.078 106.761 108.800 0.065 0.000 2.494 298 G HA2 0.520 4.483 3.960 0.005 0.000 0.308 298 G HA3 0.520 4.483 3.960 0.005 0.000 0.308 298 G C -1.240 173.681 174.900 0.036 0.000 1.263 298 G CA -0.787 44.337 45.100 0.040 0.000 0.840 298 G HN 0.435 nan 8.290 nan 0.000 0.479 299 R N -1.271 119.241 120.500 0.020 0.000 2.885 299 R HA 0.713 5.056 4.340 0.005 0.000 0.260 299 R C -1.312 175.059 176.300 0.119 0.000 1.107 299 R CA -0.819 55.323 56.100 0.071 0.000 0.978 299 R CB 1.592 31.956 30.300 0.107 0.000 1.227 299 R HN 0.650 nan 8.270 nan 0.000 0.473 300 I N 1.085 121.733 120.570 0.130 0.000 2.545 300 I HA 0.283 4.456 4.170 0.005 0.000 0.292 300 I C -0.769 175.418 176.117 0.116 0.000 1.040 300 I CA -1.006 60.374 61.300 0.134 0.000 1.068 300 I CB 1.427 39.485 38.000 0.096 0.000 1.251 300 I HN 0.207 nan 8.210 nan 0.000 0.424 301 L N 6.387 127.682 121.223 0.120 0.000 2.410 301 L HA 0.144 4.487 4.340 0.005 0.000 0.273 301 L C 1.488 178.359 176.870 0.003 0.000 1.152 301 L CA 0.436 55.290 54.840 0.023 0.000 0.855 301 L CB 1.131 43.232 42.059 0.069 0.000 1.129 301 L HN 0.814 nan 8.230 nan 0.000 0.463 302 T N -1.721 112.797 114.554 -0.060 0.000 3.081 302 T HA 0.086 4.439 4.350 0.005 0.000 0.255 302 T C 0.687 175.372 174.700 -0.024 0.000 1.113 302 T CA 0.381 62.459 62.100 -0.037 0.000 1.082 302 T CB 0.147 68.972 68.868 -0.072 0.000 0.939 302 T HN 0.636 nan 8.240 nan 0.000 0.506 303 S N -0.236 115.456 115.700 -0.013 0.000 2.615 303 S HA 0.434 4.907 4.470 0.005 0.000 0.268 303 S C -2.138 172.484 174.600 0.037 0.000 1.146 303 S CA -1.204 57.004 58.200 0.014 0.000 0.818 303 S CB 0.872 64.085 63.200 0.020 0.000 1.111 303 S HN 0.054 nan 8.310 nan 0.000 0.465 304 D N 1.083 121.505 120.400 0.036 0.000 2.455 304 D HA 0.470 5.114 4.640 0.005 0.000 0.241 304 D C -0.841 175.519 176.300 0.101 0.000 1.138 304 D CA 0.994 55.018 54.000 0.040 0.000 0.877 304 D CB 0.127 40.935 40.800 0.013 0.000 1.187 304 D HN 0.539 nan 8.370 nan 0.000 0.451 305 Y N 0.445 120.666 120.300 -0.132 0.000 2.436 305 Y HA 0.157 4.710 4.550 0.005 0.000 0.327 305 Y C -1.222 174.583 175.900 -0.158 0.000 1.138 305 Y CA -0.909 57.052 58.100 -0.231 0.000 1.042 305 Y CB 1.295 39.457 38.460 -0.498 0.000 1.302 305 Y HN 0.305 nan 8.280 nan 0.000 0.439 306 E N 6.154 126.022 120.200 -0.553 0.000 2.130 306 E HA 0.333 4.686 4.350 0.005 0.000 0.284 306 E C -1.939 174.227 176.600 -0.724 0.000 1.018 306 E CA -0.479 55.635 56.400 -0.475 0.000 0.817 306 E CB 0.673 30.212 29.700 -0.268 0.000 1.078 306 E HN 0.492 nan 8.360 nan 0.000 0.396 307 F N 5.360 124.931 119.950 -0.631 0.000 2.539 307 F HA 0.247 4.777 4.527 0.006 0.000 0.328 307 F C -0.297 175.399 175.800 -0.173 0.000 1.148 307 F CA -0.511 57.210 58.000 -0.464 0.000 0.940 307 F CB 0.597 39.468 39.000 -0.215 0.000 1.194 307 F HN 0.667 nan 8.300 nan 0.000 0.438 308 H N 3.957 122.697 119.070 -0.550 0.000 2.839 308 H HA -0.178 4.381 4.556 0.005 0.000 0.298 308 H C 1.375 176.545 175.328 -0.263 0.000 1.224 308 H CA 1.200 56.969 56.048 -0.466 0.000 1.144 308 H CB -1.088 28.294 29.762 -0.633 0.000 1.372 308 H HN 1.282 nan 8.280 nan 0.000 0.408 309 G N -1.189 107.493 108.800 -0.196 0.000 2.162 309 G HA2 -0.313 3.650 3.960 0.005 0.000 0.260 309 G HA3 -0.313 3.650 3.960 0.005 0.000 0.260 309 G C 0.273 175.125 174.900 -0.080 0.000 0.976 309 G CA 0.393 45.424 45.100 -0.114 0.000 0.655 309 G HN 0.476 nan 8.290 nan 0.000 0.533 310 V N 1.158 121.003 119.914 -0.114 0.000 2.513 310 V HA 0.495 4.618 4.120 0.005 0.000 0.299 310 V C 0.152 176.156 176.094 -0.150 0.000 1.035 310 V CA -1.009 61.218 62.300 -0.121 0.000 0.889 310 V CB 1.918 33.614 31.823 -0.211 0.000 0.988 310 V HN 0.254 nan 8.190 nan 0.000 0.440 311 Q N 4.599 124.365 119.800 -0.057 0.000 2.369 311 Q HA 0.420 4.763 4.340 0.005 0.000 0.247 311 Q C -0.752 175.285 176.000 0.061 0.000 1.083 311 Q CA 0.087 55.888 55.803 -0.004 0.000 0.905 311 Q CB 0.953 29.733 28.738 0.070 0.000 1.305 311 Q HN 0.560 nan 8.270 nan 0.000 0.465 312 L N 1.671 122.863 121.223 -0.051 0.000 2.343 312 L HA 0.484 4.827 4.340 0.005 0.000 0.275 312 L C 0.392 177.316 176.870 0.090 0.000 1.056 312 L CA -0.579 54.288 54.840 0.045 0.000 0.804 312 L CB 1.019 43.018 42.059 -0.100 0.000 1.203 312 L HN 0.269 nan 8.230 nan 0.000 0.440 313 K N 2.541 123.024 120.400 0.138 0.000 2.207 313 K HA 0.283 4.606 4.320 0.005 0.000 0.255 313 K C -0.438 176.190 176.600 0.046 0.000 0.941 313 K CA -0.831 55.424 56.287 -0.052 0.000 0.825 313 K CB 1.718 33.940 32.500 -0.465 0.000 1.119 313 K HN 0.475 nan 8.250 nan 0.000 0.430 314 K N 1.911 122.320 120.400 0.017 0.000 2.559 314 K HA -0.066 4.257 4.320 0.005 0.000 0.279 314 K C 0.643 177.287 176.600 0.073 0.000 0.967 314 K CA 1.744 58.056 56.287 0.041 0.000 1.000 314 K CB 0.017 32.527 32.500 0.018 0.000 0.890 314 K HN 0.832 nan 8.250 nan 0.000 0.501 315 G N 2.482 111.340 108.800 0.097 0.000 2.268 315 G HA2 -0.235 3.728 3.960 0.005 0.000 0.240 315 G HA3 -0.235 3.728 3.960 0.005 0.000 0.240 315 G C -0.349 174.669 174.900 0.197 0.000 1.010 315 G CA 0.270 45.443 45.100 0.120 0.000 0.618 315 G HN 0.752 nan 8.290 nan 0.000 0.516 316 D N 1.725 122.292 120.400 0.279 0.000 2.443 316 D HA 0.413 5.056 4.640 0.005 0.000 0.239 316 D C 0.865 177.399 176.300 0.390 0.000 1.136 316 D CA 0.532 54.803 54.000 0.451 0.000 0.879 316 D CB 0.517 41.759 40.800 0.736 0.000 1.195 316 D HN 0.533 nan 8.370 nan 0.000 0.443 317 Q N 0.851 120.869 119.800 0.363 0.000 2.230 317 Q HA 0.581 4.924 4.340 0.005 0.000 0.253 317 Q C -0.345 175.867 176.000 0.352 0.000 0.919 317 Q CA -0.575 55.383 55.803 0.257 0.000 0.908 317 Q CB 2.452 31.259 28.738 0.115 0.000 1.245 317 Q HN 0.462 nan 8.270 nan 0.000 0.437 318 I N 2.848 123.580 120.570 0.269 0.000 2.447 318 I HA 0.248 4.421 4.170 0.005 0.000 0.287 318 I C -1.490 174.687 176.117 0.100 0.000 1.023 318 I CA -1.123 60.344 61.300 0.278 0.000 1.083 318 I CB 1.139 39.291 38.000 0.253 0.000 1.245 318 I HN 0.507 nan 8.210 nan 0.000 0.434 319 L N 8.369 129.664 121.223 0.121 0.000 2.360 319 L HA 0.355 4.698 4.340 0.005 0.000 0.276 319 L C -1.032 175.857 176.870 0.032 0.000 1.121 319 L CA 0.372 55.244 54.840 0.053 0.000 0.845 319 L CB 0.609 42.734 42.059 0.110 0.000 1.143 319 L HN 0.542 nan 8.230 nan 0.000 0.452 320 L N 7.736 128.949 121.223 -0.016 0.000 2.502 320 L HA 0.379 4.722 4.340 0.005 0.000 0.247 320 L C -2.183 174.750 176.870 0.105 0.000 1.180 320 L CA -1.703 53.091 54.840 -0.076 0.000 0.956 320 L CB 0.884 42.655 42.059 -0.480 0.000 1.282 320 L HN 0.491 nan 8.230 nan 0.000 0.470 321 P HA 0.036 nan 4.420 nan 0.000 0.258 321 P C 0.312 177.595 177.300 -0.029 0.000 1.214 321 P CA 0.064 63.173 63.100 0.015 0.000 0.872 321 P CB 0.734 32.486 31.700 0.086 0.000 0.890 322 Q N 2.607 122.386 119.800 -0.036 0.000 2.217 322 Q HA -0.229 4.114 4.340 0.005 0.000 0.209 322 Q C 1.883 177.801 176.000 -0.137 0.000 0.988 322 Q CA 1.726 57.487 55.803 -0.069 0.000 0.878 322 Q CB -0.574 28.087 28.738 -0.128 0.000 0.909 322 Q HN 0.520 nan 8.270 nan 0.000 0.424 323 M N -0.401 119.057 119.600 -0.237 0.000 2.149 323 M HA -0.197 4.286 4.480 0.005 0.000 0.261 323 M C 1.438 177.617 176.300 -0.203 0.000 1.064 323 M CA 1.474 56.602 55.300 -0.288 0.000 1.102 323 M CB 0.025 32.330 32.600 -0.493 0.000 1.369 323 M HN 0.298 nan 8.290 nan 0.000 0.408 324 L N -0.607 120.529 121.223 -0.146 0.000 2.217 324 L HA -0.123 4.220 4.340 0.005 0.000 0.211 324 L C 2.358 179.176 176.870 -0.088 0.000 1.107 324 L CA 0.723 55.505 54.840 -0.096 0.000 0.783 324 L CB -0.437 41.590 42.059 -0.054 0.000 0.919 324 L HN 0.337 nan 8.230 nan 0.000 0.442 325 S N 0.268 115.922 115.700 -0.077 0.000 2.370 325 S HA -0.146 4.327 4.470 0.005 0.000 0.226 325 S C 1.929 176.491 174.600 -0.064 0.000 1.033 325 S CA 1.405 59.562 58.200 -0.071 0.000 1.011 325 S CB -0.547 62.613 63.200 -0.067 0.000 0.852 325 S HN 0.595 nan 8.310 nan 0.000 0.457 326 G N 0.755 109.524 108.800 -0.053 0.000 2.572 326 G HA2 0.065 4.028 3.960 0.005 0.000 0.216 326 G HA3 0.065 4.028 3.960 0.005 0.000 0.216 326 G C 1.157 176.004 174.900 -0.087 0.000 1.133 326 G CA 0.137 45.214 45.100 -0.039 0.000 0.791 326 G HN 0.440 nan 8.290 nan 0.000 0.538 327 L N 0.039 121.196 121.223 -0.109 0.000 2.446 327 L HA 0.161 4.504 4.340 0.005 0.000 0.219 327 L C 0.690 177.500 176.870 -0.101 0.000 1.116 327 L CA -0.240 54.528 54.840 -0.121 0.000 0.844 327 L CB -0.002 41.982 42.059 -0.124 0.000 0.970 327 L HN 0.017 nan 8.230 nan 0.000 0.457 328 D N 1.772 122.119 120.400 -0.090 0.000 2.412 328 D HA -0.098 4.545 4.640 0.005 0.000 0.257 328 D C 1.372 177.625 176.300 -0.079 0.000 1.217 328 D CA 0.133 54.082 54.000 -0.085 0.000 0.897 328 D CB 0.952 41.701 40.800 -0.084 0.000 1.132 328 D HN 0.356 nan 8.370 nan 0.000 0.493 329 E N 4.036 124.188 120.200 -0.080 0.000 2.267 329 E HA -0.247 4.106 4.350 0.005 0.000 0.197 329 E C 1.055 177.619 176.600 -0.061 0.000 0.998 329 E CA 0.735 57.091 56.400 -0.073 0.000 0.830 329 E CB -0.089 29.568 29.700 -0.073 0.000 0.751 329 E HN 0.488 nan 8.360 nan 0.000 0.491 330 R N 0.490 120.953 120.500 -0.061 0.000 2.285 330 R HA -0.027 4.316 4.340 0.005 0.000 0.213 330 R C 1.682 177.952 176.300 -0.050 0.000 1.068 330 R CA 1.242 57.309 56.100 -0.055 0.000 1.004 330 R CB 0.012 30.276 30.300 -0.061 0.000 0.873 330 R HN 0.414 nan 8.270 nan 0.000 0.467 331 E N -0.376 119.792 120.200 -0.053 0.000 2.290 331 E HA 0.113 4.466 4.350 0.005 0.000 0.199 331 E C -0.023 176.556 176.600 -0.036 0.000 0.912 331 E CA 0.205 56.578 56.400 -0.044 0.000 0.924 331 E CB 0.516 30.187 29.700 -0.048 0.000 0.901 331 E HN 0.206 nan 8.360 nan 0.000 0.487 332 N N 0.849 119.522 118.700 -0.045 0.000 2.430 332 N HA 0.328 5.072 4.740 0.005 0.000 0.290 332 N C -1.015 174.464 175.510 -0.051 0.000 1.063 332 N CA -0.175 52.852 53.050 -0.039 0.000 0.883 332 N CB 2.166 40.629 38.487 -0.039 0.000 1.465 332 N HN -0.010 nan 8.380 nan 0.000 0.493 333 A N 0.599 123.396 122.820 -0.038 0.000 2.483 333 A HA 0.176 4.499 4.320 0.005 0.000 0.238 333 A C 0.768 178.312 177.584 -0.067 0.000 1.070 333 A CA 0.000 52.010 52.037 -0.046 0.000 0.770 333 A CB -0.236 18.749 19.000 -0.025 0.000 1.008 333 A HN 0.970 nan 8.150 nan 0.000 0.497 334 C N 2.004 121.237 119.300 -0.112 0.000 3.563 334 C HA -0.101 4.362 4.460 0.005 0.000 0.284 334 C C -0.444 174.411 174.990 -0.226 0.000 1.356 334 C CA -0.044 58.838 59.018 -0.226 0.000 2.166 334 C CB -2.390 25.231 27.740 -0.198 0.000 1.399 334 C HN 0.864 nan 8.230 nan 0.000 0.583 335 P HA -0.187 nan 4.420 nan 0.000 0.218 335 P C 1.462 178.653 177.300 -0.182 0.000 1.148 335 P CA 1.688 64.696 63.100 -0.154 0.000 0.822 335 P CB -0.030 31.589 31.700 -0.135 0.000 0.784 336 M N -1.926 117.546 119.600 -0.213 0.000 2.562 336 M HA 0.016 4.500 4.480 0.005 0.000 0.257 336 M C 0.521 176.794 176.300 -0.045 0.000 1.099 336 M CA 0.652 55.855 55.300 -0.162 0.000 1.099 336 M CB -1.614 30.922 32.600 -0.108 0.000 1.427 336 M HN 0.011 nan 8.290 nan 0.000 0.489 337 H N 0.282 119.293 119.070 -0.098 0.000 2.610 337 H HA 0.329 4.889 4.556 0.005 0.000 0.336 337 H C -0.317 174.932 175.328 -0.131 0.000 1.087 337 H CA -0.770 55.235 56.048 -0.070 0.000 1.405 337 H CB 0.799 30.546 29.762 -0.024 0.000 1.460 337 H HN -0.173 nan 8.280 nan 0.000 0.538 338 V N 3.851 123.737 119.914 -0.045 0.000 2.385 338 V HA 0.077 4.201 4.120 0.005 0.000 0.269 338 V C 0.272 176.348 176.094 -0.030 0.000 1.043 338 V CA -0.314 61.864 62.300 -0.204 0.000 0.906 338 V CB 0.848 32.281 31.823 -0.650 0.000 0.995 338 V HN 0.697 nan 8.190 nan 0.000 0.467 339 D N 4.180 124.580 120.400 0.001 0.000 2.421 339 D HA 0.354 4.997 4.640 0.005 0.000 0.254 339 D C 0.392 176.792 176.300 0.165 0.000 1.238 339 D CA -0.546 53.483 54.000 0.048 0.000 0.919 339 D CB 0.965 41.805 40.800 0.066 0.000 1.152 339 D HN 0.205 nan 8.370 nan 0.000 0.552 340 F N 1.292 121.335 119.950 0.154 0.000 2.451 340 F HA -0.004 4.526 4.527 0.005 0.000 0.299 340 F C 2.202 178.054 175.800 0.087 0.000 1.101 340 F CA 0.411 58.485 58.000 0.124 0.000 1.436 340 F CB -0.493 38.603 39.000 0.159 0.000 1.074 340 F HN 0.291 nan 8.300 nan 0.000 0.553 341 S N -0.829 115.008 115.700 0.228 0.000 2.605 341 S HA 0.049 4.522 4.470 0.005 0.000 0.217 341 S C 0.896 175.562 174.600 0.110 0.000 0.958 341 S CA -0.505 57.782 58.200 0.144 0.000 0.919 341 S CB -0.312 62.948 63.200 0.102 0.000 0.780 341 S HN 0.192 nan 8.310 nan 0.000 0.507 342 R N 1.716 122.288 120.500 0.118 0.000 2.494 342 R HA -0.065 4.278 4.340 0.005 0.000 0.291 342 R C 1.278 177.622 176.300 0.074 0.000 0.953 342 R CA 0.320 56.471 56.100 0.084 0.000 1.098 342 R CB 0.263 30.613 30.300 0.082 0.000 0.911 342 R HN 0.092 nan 8.270 nan 0.000 0.407 343 Q N 2.506 122.340 119.800 0.055 0.000 2.083 343 Q HA -0.016 4.327 4.340 0.005 0.000 0.198 343 Q C -0.233 175.794 176.000 0.045 0.000 0.969 343 Q CA 1.712 57.544 55.803 0.048 0.000 0.838 343 Q CB 0.461 29.221 28.738 0.037 0.000 0.900 343 Q HN 0.314 nan 8.270 nan 0.000 0.436 344 K N 0.495 120.919 120.400 0.039 0.000 2.540 344 K HA 0.297 4.620 4.320 0.005 0.000 0.218 344 K C -1.419 175.205 176.600 0.041 0.000 1.017 344 K CA -0.466 55.841 56.287 0.034 0.000 1.029 344 K CB 1.391 33.904 32.500 0.021 0.000 1.348 344 K HN -0.117 nan 8.250 nan 0.000 0.508 345 V N 1.988 121.939 119.914 0.062 0.000 2.397 345 V HA 0.063 4.186 4.120 0.005 0.000 0.262 345 V C 0.688 176.834 176.094 0.086 0.000 1.047 345 V CA -0.109 62.245 62.300 0.089 0.000 1.003 345 V CB 0.678 32.578 31.823 0.129 0.000 1.037 345 V HN 0.547 nan 8.190 nan 0.000 0.480 346 S N 5.292 121.025 115.700 0.054 0.000 2.437 346 S HA 0.743 5.216 4.470 0.005 0.000 0.305 346 S C -0.614 174.002 174.600 0.026 0.000 1.109 346 S CA -0.525 57.672 58.200 -0.005 0.000 1.099 346 S CB 0.367 63.557 63.200 -0.017 0.000 1.004 346 S HN 1.091 nan 8.310 nan 0.000 0.475 347 H N -0.015 119.037 119.070 -0.031 0.000 2.967 347 H HA 0.531 5.090 4.556 0.005 0.000 0.318 347 H C -0.445 174.856 175.328 -0.045 0.000 1.375 347 H CA -0.446 55.562 56.048 -0.066 0.000 1.132 347 H CB 0.742 30.443 29.762 -0.101 0.000 1.848 347 H HN 0.315 nan 8.280 nan 0.000 0.524 348 T N -2.499 112.102 114.554 0.079 0.000 3.415 348 T HA 0.171 4.524 4.350 0.005 0.000 0.282 348 T C 0.503 175.249 174.700 0.077 0.000 1.007 348 T CA 0.099 62.231 62.100 0.053 0.000 0.958 348 T CB -0.380 68.488 68.868 0.000 0.000 1.171 348 T HN 0.617 nan 8.240 nan 0.000 0.500 349 T N 1.434 116.138 114.554 0.251 0.000 2.759 349 T HA 0.023 4.377 4.350 0.005 0.000 0.269 349 T C 0.407 174.895 174.700 -0.353 0.000 1.042 349 T CA 1.291 63.252 62.100 -0.231 0.000 1.140 349 T CB -0.387 68.076 68.868 -0.676 0.000 0.864 349 T HN 0.500 nan 8.240 nan 0.000 0.455 350 F N 1.188 121.147 119.950 0.015 0.000 2.660 350 F HA 0.466 4.996 4.527 0.005 0.000 0.297 350 F C 1.570 177.322 175.800 -0.079 0.000 1.132 350 F CA -0.252 57.714 58.000 -0.057 0.000 1.372 350 F CB -0.526 38.440 39.000 -0.056 0.000 1.003 350 F HN 0.285 nan 8.300 nan 0.000 0.524 351 G N 0.141 108.951 108.800 0.017 0.000 2.660 351 G HA2 -0.129 3.834 3.960 0.005 0.000 0.215 351 G HA3 -0.129 3.834 3.960 0.005 0.000 0.215 351 G C -1.370 173.511 174.900 -0.032 0.000 1.345 351 G CA -0.561 44.465 45.100 -0.125 0.000 0.877 351 G HN 0.553 nan 8.290 nan 0.000 0.549 352 H N -1.045 117.873 119.070 -0.254 0.000 3.112 352 H HA 0.667 5.226 4.556 0.005 0.000 0.347 352 H C 0.514 175.844 175.328 0.002 0.000 1.188 352 H CA 1.801 57.796 56.048 -0.088 0.000 1.240 352 H CB 1.259 31.013 29.762 -0.014 0.000 1.920 352 H HN 2.660 nan 8.280 nan 0.000 0.535 353 G N 1.207 109.769 108.800 -0.395 0.000 2.568 353 G HA2 -0.258 3.705 3.960 0.005 0.000 0.222 353 G HA3 -0.258 3.705 3.960 0.005 0.000 0.222 353 G C 1.141 176.029 174.900 -0.020 0.000 1.321 353 G CA 0.473 45.516 45.100 -0.095 0.000 0.893 353 G HN 1.374 nan 8.290 nan 0.000 0.569 354 S N -0.929 114.804 115.700 0.055 0.000 2.469 354 S HA -0.079 4.394 4.470 0.005 0.000 0.238 354 S C 1.306 175.795 174.600 -0.185 0.000 0.998 354 S CA 1.929 60.075 58.200 -0.090 0.000 0.957 354 S CB -0.308 62.767 63.200 -0.209 0.000 0.764 354 S HN 0.758 nan 8.310 nan 0.000 0.514 355 H N 0.598 119.662 119.070 -0.011 0.000 2.505 355 H HA 0.376 4.936 4.556 0.005 0.000 0.289 355 H C 0.091 175.395 175.328 -0.040 0.000 1.052 355 H CA -0.441 55.600 56.048 -0.012 0.000 1.156 355 H CB -0.082 29.688 29.762 0.013 0.000 1.507 355 H HN 0.352 nan 8.280 nan 0.000 0.548 356 L N 1.553 122.788 121.223 0.020 0.000 2.653 356 L HA -0.144 4.199 4.340 0.005 0.000 0.288 356 L C 0.974 177.840 176.870 -0.006 0.000 1.243 356 L CA 0.100 54.934 54.840 -0.010 0.000 0.906 356 L CB 0.278 42.310 42.059 -0.045 0.000 1.154 356 L HN 0.392 nan 8.230 nan 0.000 0.498 357 C N 4.952 124.257 119.300 0.009 0.000 2.563 357 C HA -0.005 4.458 4.460 0.005 0.000 0.411 357 C C 1.720 176.642 174.990 -0.114 0.000 1.386 357 C CA -0.268 58.742 59.018 -0.013 0.000 1.703 357 C CB -0.525 27.248 27.740 0.055 0.000 2.596 357 C HN 0.798 nan 8.230 nan 0.000 0.605 358 L N 4.542 125.727 121.223 -0.063 0.000 2.477 358 L HA 0.213 4.556 4.340 0.005 0.000 0.220 358 L C 2.341 179.148 176.870 -0.106 0.000 1.106 358 L CA 1.032 55.834 54.840 -0.063 0.000 0.851 358 L CB -0.310 41.753 42.059 0.006 0.000 0.994 358 L HN 0.980 nan 8.230 nan 0.000 0.462 359 G N -0.455 108.272 108.800 -0.122 0.000 3.141 359 G HA2 -0.061 3.902 3.960 0.005 0.000 0.218 359 G HA3 -0.061 3.902 3.960 0.005 0.000 0.218 359 G C 1.350 176.084 174.900 -0.277 0.000 1.170 359 G CA -0.032 45.002 45.100 -0.111 0.000 0.769 359 G HN 0.489 nan 8.290 nan 0.000 0.546 360 Q N 0.103 119.532 119.800 -0.620 0.000 2.096 360 Q HA -0.228 4.115 4.340 0.005 0.000 0.204 360 Q C 1.839 177.381 176.000 -0.762 0.000 0.982 360 Q CA 1.490 56.579 55.803 -1.190 0.000 0.850 360 Q CB -0.673 26.973 28.738 -1.820 0.000 0.901 360 Q HN 0.492 nan 8.270 nan 0.000 0.422 361 H N 0.651 119.545 119.070 -0.294 0.000 2.353 361 H HA -0.100 4.460 4.556 0.005 0.000 0.300 361 H C 2.282 177.559 175.328 -0.085 0.000 1.090 361 H CA 1.500 57.456 56.048 -0.153 0.000 1.327 361 H CB -0.372 29.327 29.762 -0.105 0.000 1.383 361 H HN 0.290 nan 8.280 nan 0.000 0.508 362 L N 1.288 122.523 121.223 0.019 0.000 2.017 362 L HA -0.058 4.285 4.340 0.005 0.000 0.208 362 L C 2.604 179.488 176.870 0.024 0.000 1.073 362 L CA 1.859 56.715 54.840 0.027 0.000 0.745 362 L CB -0.923 41.154 42.059 0.030 0.000 0.894 362 L HN 0.186 nan 8.230 nan 0.000 0.432 363 A N -0.232 122.588 122.820 0.000 0.000 1.865 363 A HA -0.253 4.070 4.320 0.005 0.000 0.217 363 A C 2.458 180.109 177.584 0.111 0.000 1.191 363 A CA 2.063 54.142 52.037 0.070 0.000 0.623 363 A CB -0.642 18.441 19.000 0.139 0.000 0.826 363 A HN 0.523 nan 8.150 nan 0.000 0.444 364 R N -1.379 119.164 120.500 0.070 0.000 2.081 364 R HA -0.148 4.196 4.340 0.005 0.000 0.235 364 R C 2.487 178.866 176.300 0.131 0.000 1.131 364 R CA 1.595 57.762 56.100 0.112 0.000 0.960 364 R CB -0.298 30.049 30.300 0.079 0.000 0.856 364 R HN 0.462 nan 8.270 nan 0.000 0.436 365 R N 1.638 122.206 120.500 0.113 0.000 2.083 365 R HA -0.147 4.196 4.340 0.005 0.000 0.237 365 R C 1.714 178.135 176.300 0.200 0.000 1.137 365 R CA 1.876 58.056 56.100 0.134 0.000 0.951 365 R CB -0.311 30.052 30.300 0.106 0.000 0.851 365 R HN 0.294 nan 8.270 nan 0.000 0.434 366 E N -0.308 120.018 120.200 0.211 0.000 2.085 366 E HA -0.190 4.163 4.350 0.005 0.000 0.194 366 E C 2.054 178.935 176.600 0.467 0.000 0.994 366 E CA 1.715 58.338 56.400 0.373 0.000 0.801 366 E CB -0.232 29.564 29.700 0.160 0.000 0.743 366 E HN 0.374 nan 8.360 nan 0.000 0.453 367 I N 0.786 121.560 120.570 0.340 0.000 2.179 367 I HA -0.281 3.892 4.170 0.005 0.000 0.242 367 I C 2.344 178.607 176.117 0.243 0.000 1.088 367 I CA 1.076 62.577 61.300 0.334 0.000 1.357 367 I CB -0.211 37.992 38.000 0.337 0.000 1.051 367 I HN 0.095 nan 8.210 nan 0.000 0.409 368 I N -0.120 120.568 120.570 0.197 0.000 2.142 368 I HA -0.264 3.909 4.170 0.005 0.000 0.240 368 I C 2.551 178.749 176.117 0.135 0.000 1.078 368 I CA 1.246 62.628 61.300 0.137 0.000 1.343 368 I CB -0.371 37.696 38.000 0.111 0.000 1.046 368 I HN -0.008 nan 8.210 nan 0.000 0.405 369 V N 0.559 120.577 119.914 0.174 0.000 2.324 369 V HA -0.336 3.787 4.120 0.005 0.000 0.250 369 V C 2.500 178.664 176.094 0.117 0.000 1.060 369 V CA 2.561 64.959 62.300 0.163 0.000 1.042 369 V CB -0.957 31.017 31.823 0.251 0.000 0.650 369 V HN 0.500 nan 8.190 nan 0.000 0.450 370 T N 0.215 114.854 114.554 0.142 0.000 2.674 370 T HA -0.138 4.215 4.350 0.005 0.000 0.265 370 T C 1.882 176.613 174.700 0.051 0.000 1.039 370 T CA 1.673 63.812 62.100 0.066 0.000 1.150 370 T CB -0.321 68.657 68.868 0.184 0.000 0.864 370 T HN 0.294 nan 8.240 nan 0.000 0.427 371 L N 0.466 121.730 121.223 0.069 0.000 2.013 371 L HA -0.197 4.146 4.340 0.005 0.000 0.212 371 L C 2.748 179.661 176.870 0.071 0.000 1.073 371 L CA 1.658 56.529 54.840 0.051 0.000 0.753 371 L CB -0.507 41.577 42.059 0.043 0.000 0.890 371 L HN 0.248 nan 8.230 nan 0.000 0.432 372 K N -0.463 119.976 120.400 0.064 0.000 1.985 372 K HA -0.164 4.159 4.320 0.005 0.000 0.210 372 K C 2.108 178.735 176.600 0.044 0.000 1.047 372 K CA 1.273 57.592 56.287 0.053 0.000 0.932 372 K CB -0.093 32.437 32.500 0.050 0.000 0.716 372 K HN 0.177 nan 8.250 nan 0.000 0.439 373 E N 0.108 120.330 120.200 0.036 0.000 2.110 373 E HA -0.203 4.150 4.350 0.005 0.000 0.193 373 E C 1.605 178.186 176.600 -0.032 0.000 0.988 373 E CA 0.777 57.176 56.400 -0.002 0.000 0.804 373 E CB -0.231 29.465 29.700 -0.007 0.000 0.745 373 E HN 0.474 nan 8.360 nan 0.000 0.458 374 W N 1.040 122.218 121.300 -0.204 0.000 2.408 374 W HA -0.064 4.599 4.660 0.005 0.000 0.311 374 W C 1.852 178.242 176.519 -0.214 0.000 1.190 374 W CA 0.825 57.993 57.345 -0.296 0.000 1.321 374 W CB -0.370 28.843 29.460 -0.413 0.000 1.143 374 W HN 0.036 nan 8.180 nan 0.000 0.501 375 L N 0.278 121.618 121.223 0.194 0.000 2.201 375 L HA -0.206 4.138 4.340 0.005 0.000 0.212 375 L C 2.490 179.379 176.870 0.032 0.000 1.105 375 L CA 1.483 56.422 54.840 0.164 0.000 0.775 375 L CB -1.079 41.078 42.059 0.163 0.000 0.913 375 L HN -0.129 nan 8.230 nan 0.000 0.440 376 T N -0.422 114.126 114.554 -0.010 0.000 2.708 376 T HA -0.170 4.183 4.350 0.005 0.000 0.266 376 T C 2.043 176.687 174.700 -0.094 0.000 1.037 376 T CA 1.485 63.562 62.100 -0.038 0.000 1.146 376 T CB -0.002 68.847 68.868 -0.032 0.000 0.865 376 T HN 0.341 nan 8.240 nan 0.000 0.435 377 R N 0.069 120.458 120.500 -0.184 0.000 2.090 377 R HA 0.277 4.620 4.340 0.005 0.000 0.219 377 R C 0.715 176.818 176.300 -0.329 0.000 1.100 377 R CA 0.734 56.683 56.100 -0.252 0.000 0.991 377 R CB 0.217 30.329 30.300 -0.314 0.000 0.893 377 R HN 0.326 nan 8.270 nan 0.000 0.443 378 I N 2.634 122.913 120.570 -0.486 0.000 2.833 378 I HA 0.181 4.354 4.170 0.005 0.000 0.286 378 I C -1.881 174.171 176.117 -0.110 0.000 1.287 378 I CA -1.637 59.344 61.300 -0.532 0.000 1.046 378 I CB 1.695 38.941 38.000 -1.256 0.000 1.612 378 I HN -0.094 nan 8.210 nan 0.000 0.585 379 P HA -0.099 nan 4.420 nan 0.000 0.222 379 P C 0.179 177.575 177.300 0.161 0.000 1.147 379 P CA 1.300 64.474 63.100 0.122 0.000 0.790 379 P CB 0.501 32.231 31.700 0.049 0.000 0.780 380 D N -0.151 120.343 120.400 0.158 0.000 2.593 380 D HA 0.411 5.054 4.640 0.005 0.000 0.251 380 D C -0.956 175.507 176.300 0.272 0.000 1.140 380 D CA -0.658 53.404 54.000 0.103 0.000 0.855 380 D CB 1.061 41.903 40.800 0.069 0.000 1.267 380 D HN -0.095 nan 8.370 nan 0.000 0.532 381 F N 0.089 120.089 119.950 0.084 0.000 2.668 381 F HA 0.764 5.294 4.527 0.006 0.000 0.309 381 F C -1.001 174.866 175.800 0.111 0.000 1.117 381 F CA -0.882 57.227 58.000 0.181 0.000 0.951 381 F CB 1.177 40.285 39.000 0.180 0.000 1.323 381 F HN 0.033 nan 8.300 nan 0.000 0.451 382 S N 1.322 117.173 115.700 0.251 0.000 2.627 382 S HA 0.659 5.132 4.470 0.005 0.000 0.283 382 S C -0.940 173.768 174.600 0.180 0.000 1.127 382 S CA -0.811 57.447 58.200 0.097 0.000 0.863 382 S CB 1.812 65.050 63.200 0.063 0.000 1.121 382 S HN 0.583 nan 8.310 nan 0.000 0.479 383 I N 2.048 122.670 120.570 0.087 0.000 2.692 383 I HA 0.195 4.368 4.170 0.005 0.000 0.284 383 I C 1.047 177.214 176.117 0.082 0.000 1.159 383 I CA -0.290 61.062 61.300 0.087 0.000 1.423 383 I CB 0.029 38.052 38.000 0.038 0.000 1.380 383 I HN 0.795 nan 8.210 nan 0.000 0.580 384 A N 8.339 131.210 122.820 0.085 0.000 2.531 384 A HA 0.263 4.586 4.320 0.005 0.000 0.236 384 A C -2.084 175.523 177.584 0.038 0.000 1.062 384 A CA -0.776 51.296 52.037 0.059 0.000 0.760 384 A CB -0.890 18.139 19.000 0.050 0.000 0.995 384 A HN 0.518 nan 8.150 nan 0.000 0.501 385 P HA 0.157 nan 4.420 nan 0.000 0.260 385 P C 1.184 178.493 177.300 0.015 0.000 1.172 385 P CA 2.036 65.147 63.100 0.018 0.000 0.760 385 P CB 0.402 32.110 31.700 0.012 0.000 0.773 386 G N 2.669 111.477 108.800 0.013 0.000 2.328 386 G HA2 -0.312 3.651 3.960 0.005 0.000 0.256 386 G HA3 -0.312 3.651 3.960 0.005 0.000 0.256 386 G C 0.535 175.443 174.900 0.013 0.000 1.014 386 G CA 0.087 45.194 45.100 0.011 0.000 0.620 386 G HN 0.884 nan 8.290 nan 0.000 0.530 387 A N 0.762 123.593 122.820 0.019 0.000 2.573 387 A HA 0.439 4.762 4.320 0.005 0.000 0.250 387 A C 0.683 178.276 177.584 0.016 0.000 1.049 387 A CA 0.812 52.862 52.037 0.022 0.000 0.767 387 A CB 0.172 19.191 19.000 0.032 0.000 0.965 387 A HN 0.411 nan 8.150 nan 0.000 0.514 388 Q N 2.803 122.611 119.800 0.013 0.000 2.441 388 Q HA 0.230 4.573 4.340 0.005 0.000 0.234 388 Q C -0.087 175.916 176.000 0.005 0.000 1.078 388 Q CA -0.268 55.538 55.803 0.005 0.000 0.907 388 Q CB 0.527 29.268 28.738 0.005 0.000 1.269 388 Q HN 0.609 nan 8.270 nan 0.000 0.502 389 I N 2.422 122.990 120.570 -0.003 0.000 2.618 389 I HA -0.020 4.153 4.170 0.005 0.000 0.284 389 I C 0.633 176.732 176.117 -0.031 0.000 1.146 389 I CA 0.320 61.622 61.300 0.004 0.000 1.425 389 I CB -0.016 37.995 38.000 0.018 0.000 1.383 389 I HN 0.364 nan 8.210 nan 0.000 0.562 390 Q N 5.725 125.544 119.800 0.032 0.000 2.293 390 Q HA 0.425 4.768 4.340 0.005 0.000 0.261 390 Q C -0.708 175.403 176.000 0.186 0.000 0.960 390 Q CA -0.488 55.344 55.803 0.049 0.000 0.882 390 Q CB 2.058 30.832 28.738 0.060 0.000 1.275 390 Q HN 0.572 nan 8.270 nan 0.000 0.445 391 H N 0.682 119.822 119.070 0.118 0.000 2.517 391 H HA 0.515 5.074 4.556 0.005 0.000 0.346 391 H C -0.690 174.726 175.328 0.146 0.000 1.222 391 H CA -0.976 55.173 56.048 0.169 0.000 1.314 391 H CB 1.353 31.287 29.762 0.286 0.000 1.609 391 H HN 0.294 nan 8.280 nan 0.000 0.571 392 K N 0.632 121.208 120.400 0.293 0.000 2.513 392 K HA 0.309 4.632 4.320 0.005 0.000 0.251 392 K C -1.130 175.615 176.600 0.241 0.000 0.939 392 K CA -0.526 55.889 56.287 0.213 0.000 0.793 392 K CB 2.728 35.319 32.500 0.151 0.000 1.241 392 K HN 0.315 nan 8.250 nan 0.000 0.431 393 S N 0.656 116.503 115.700 0.243 0.000 2.654 393 S HA 0.892 5.365 4.470 0.005 0.000 0.283 393 S C -0.193 174.538 174.600 0.218 0.000 1.180 393 S CA 0.140 58.516 58.200 0.293 0.000 1.021 393 S CB 1.272 64.674 63.200 0.335 0.000 1.018 393 S HN 0.816 nan 8.310 nan 0.000 0.532 394 G N 1.737 110.630 108.800 0.155 0.000 2.392 394 G HA2 0.194 4.157 3.960 0.005 0.000 0.260 394 G HA3 0.194 4.157 3.960 0.005 0.000 0.260 394 G C 0.215 175.056 174.900 -0.098 0.000 1.226 394 G CA -0.405 44.682 45.100 -0.021 0.000 0.913 394 G HN 0.531 nan 8.290 nan 0.000 0.483 395 I N 0.060 120.554 120.570 -0.127 0.000 2.286 395 I HA 0.048 4.222 4.170 0.005 0.000 0.248 395 I C 0.774 176.797 176.117 -0.157 0.000 1.115 395 I CA 1.446 62.599 61.300 -0.245 0.000 1.392 395 I CB -0.597 37.127 38.000 -0.460 0.000 1.065 395 I HN 0.009 nan 8.210 nan 0.000 0.418 396 V N 0.817 120.697 119.914 -0.057 0.000 2.483 396 V HA 0.280 4.403 4.120 0.005 0.000 0.297 396 V C 0.047 176.160 176.094 0.031 0.000 1.027 396 V CA -0.509 61.773 62.300 -0.029 0.000 0.855 396 V CB 1.918 33.747 31.823 0.010 0.000 0.995 396 V HN 0.089 nan 8.190 nan 0.000 0.424 397 S N 2.527 118.246 115.700 0.032 0.000 2.610 397 S HA 0.855 5.328 4.470 0.005 0.000 0.273 397 S C 0.396 175.157 174.600 0.267 0.000 1.274 397 S CA -0.017 58.269 58.200 0.143 0.000 1.023 397 S CB 1.714 64.966 63.200 0.086 0.000 0.962 397 S HN 1.101 nan 8.310 nan 0.000 0.523 398 G N 0.012 108.948 108.800 0.227 0.000 2.766 398 G HA2 0.608 4.571 3.960 0.005 0.000 0.288 398 G HA3 0.608 4.571 3.960 0.005 0.000 0.288 398 G C -1.690 173.082 174.900 -0.214 0.000 1.408 398 G CA -0.507 44.579 45.100 -0.024 0.000 0.852 398 G HN 0.606 nan 8.290 nan 0.000 0.487 399 V N 0.608 120.270 119.914 -0.420 0.000 2.417 399 V HA 0.255 4.378 4.120 0.005 0.000 0.291 399 V C 1.096 177.152 176.094 -0.063 0.000 1.024 399 V CA -0.321 61.829 62.300 -0.249 0.000 0.861 399 V CB 1.437 33.007 31.823 -0.422 0.000 0.985 399 V HN 0.815 nan 8.190 nan 0.000 0.436 400 Q N 3.834 123.657 119.800 0.038 0.000 2.046 400 Q HA 0.167 4.510 4.340 0.005 0.000 0.200 400 Q C 0.559 176.578 176.000 0.031 0.000 0.975 400 Q CA 1.691 57.518 55.803 0.040 0.000 0.836 400 Q CB 0.173 28.948 28.738 0.062 0.000 0.896 400 Q HN 0.984 nan 8.270 nan 0.000 0.428 401 A N -0.908 121.937 122.820 0.042 0.000 2.604 401 A HA 0.606 4.929 4.320 0.005 0.000 0.295 401 A C -2.019 175.604 177.584 0.064 0.000 1.067 401 A CA -0.614 51.453 52.037 0.050 0.000 0.683 401 A CB 1.301 20.330 19.000 0.050 0.000 1.281 401 A HN 0.164 nan 8.150 nan 0.000 0.407 402 L N 2.555 123.833 121.223 0.092 0.000 2.534 402 L HA 0.501 4.844 4.340 0.005 0.000 0.259 402 L C -2.748 174.210 176.870 0.145 0.000 1.108 402 L CA -1.217 53.686 54.840 0.104 0.000 0.905 402 L CB 2.027 44.147 42.059 0.102 0.000 1.138 402 L HN 0.471 nan 8.230 nan 0.000 0.475 403 P HA 0.286 nan 4.420 nan 0.000 0.287 403 P C -0.974 176.421 177.300 0.159 0.000 1.294 403 P CA -0.093 63.084 63.100 0.129 0.000 0.776 403 P CB 1.280 33.030 31.700 0.083 0.000 0.889 404 L N 3.977 125.345 121.223 0.241 0.000 2.330 404 L HA 0.724 5.068 4.340 0.005 0.000 0.271 404 L C 0.482 177.549 176.870 0.329 0.000 1.013 404 L CA -1.174 53.875 54.840 0.348 0.000 0.816 404 L CB 2.151 44.521 42.059 0.519 0.000 1.287 404 L HN 0.247 nan 8.230 nan 0.000 0.435 405 V N -1.359 118.787 119.914 0.387 0.000 3.049 405 V HA 0.808 4.931 4.120 0.005 0.000 0.309 405 V C -1.697 174.687 176.094 0.483 0.000 1.148 405 V CA -0.627 61.786 62.300 0.188 0.000 0.990 405 V CB 1.743 33.601 31.823 0.059 0.000 1.039 405 V HN 0.990 nan 8.190 nan 0.000 0.430 406 W N 0.658 122.025 121.300 0.113 0.000 3.057 406 W HA 0.740 5.403 4.660 0.005 0.000 0.328 406 W C -1.891 174.663 176.519 0.059 0.000 1.232 406 W CA -0.612 56.799 57.345 0.109 0.000 1.187 406 W CB 0.871 30.422 29.460 0.152 0.000 1.417 406 W HN 0.718 nan 8.180 nan 0.000 0.569 407 D N 1.737 122.318 120.400 0.301 0.000 2.274 407 D HA 0.412 5.055 4.640 0.005 0.000 0.239 407 D C -1.484 174.964 176.300 0.246 0.000 1.104 407 D CA -2.510 51.582 54.000 0.155 0.000 0.840 407 D CB 2.115 42.981 40.800 0.109 0.000 1.100 407 D HN 0.037 nan 8.370 nan 0.000 0.477 408 P HA -0.149 nan 4.420 nan 0.000 0.217 408 P C 0.974 178.347 177.300 0.121 0.000 1.148 408 P CA 1.457 64.663 63.100 0.177 0.000 0.828 408 P CB 0.158 31.902 31.700 0.073 0.000 0.783 409 A N -0.341 122.530 122.820 0.084 0.000 1.978 409 A HA -0.199 4.124 4.320 0.005 0.000 0.220 409 A C 2.147 179.768 177.584 0.062 0.000 1.170 409 A CA 2.394 54.466 52.037 0.059 0.000 0.636 409 A CB -1.927 17.099 19.000 0.045 0.000 0.810 409 A HN 0.371 nan 8.150 nan 0.000 0.448 410 T N -2.240 112.369 114.554 0.091 0.000 3.148 410 T HA 0.113 4.467 4.350 0.005 0.000 0.253 410 T C 0.924 175.653 174.700 0.049 0.000 1.134 410 T CA 0.984 63.127 62.100 0.072 0.000 1.051 410 T CB -1.028 67.894 68.868 0.090 0.000 0.959 410 T HN 0.617 nan 8.240 nan 0.000 0.525 411 T N -0.572 114.012 114.554 0.050 0.000 2.862 411 T HA 0.654 5.007 4.350 0.005 0.000 0.276 411 T C -0.676 174.013 174.700 -0.019 0.000 0.974 411 T CA -0.865 61.230 62.100 -0.009 0.000 0.966 411 T CB 1.629 70.490 68.868 -0.012 0.000 1.072 411 T HN 0.212 nan 8.240 nan 0.000 0.538 412 K N -0.180 120.188 120.400 -0.054 0.000 2.501 412 K HA 0.676 4.999 4.320 0.005 0.000 0.252 412 K C -1.035 175.529 176.600 -0.061 0.000 0.934 412 K CA -0.490 55.770 56.287 -0.044 0.000 0.797 412 K CB 1.874 34.350 32.500 -0.039 0.000 1.270 412 K HN 0.979 nan 8.250 nan 0.000 0.431 413 A N 3.210 126.005 122.820 -0.041 0.000 2.328 413 A HA 0.685 5.008 4.320 0.005 0.000 0.284 413 A C -0.681 176.881 177.584 -0.037 0.000 1.160 413 A CA -0.383 51.629 52.037 -0.043 0.000 0.818 413 A CB 0.484 19.468 19.000 -0.027 0.000 1.087 413 A HN 0.456 nan 8.150 nan 0.000 0.504 414 V N 0.000 119.889 119.914 -0.042 0.000 2.409 414 V HA 0.000 4.123 4.120 0.005 0.000 0.244 414 V CA 0.000 62.282 62.300 -0.031 0.000 1.235 414 V CB 0.000 31.803 31.823 -0.034 0.000 1.184 414 V HN 0.000 nan 8.190 nan 0.000 0.556