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 3dzz_1_B DATA FIRST_RESID 4 DATA SEQUENCE KQYDFTHVPK RQGNSIKWGV LKEKELPXWI AEXDFKIAPE IXASXEEKLK DATA SEQUENCE VAAFGYESVP AEYYKAVADW EEIEHRARPK EDWCVFASGV VPAISAXVRQ DATA SEQUENCE FTSPGDQILV QEPVYNXFYS VIEGNGRRVI SSDLIYENSK YSVNWADLEE DATA SEQUENCE KLATPSVRXX VFCNPHNPIG YAWSEEEVKR IAELCAKHQV LLISDEIHGD DATA SEQUENCE LVLTDEDITP AFTVDWDAKN WVVSLISPSX TFNLAALHAA CAIIPNPDLR DATA SEQUENCE ARAEESFFLA GIGEPNLLAI PAAIAAYEEG HDWLRELKQV LRDNFAYARE DATA SEQUENCE FLAKEVPEVK VLDSNASYLA WVDISALGXN AEDFCKYLRE KTGLIISAGN DATA SEQUENCE GYRGNGHEFV RINLACPKEL VIDGXQRLKQ GVLNL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 4 K HA 0.000 nan 4.320 nan 0.000 0.191 4 K C 0.000 176.615 176.600 0.024 0.000 0.988 4 K CA 0.000 56.327 56.287 0.067 0.000 0.838 4 K CB 0.000 32.586 32.500 0.143 0.000 1.064 5 Q N 1.146 120.929 119.800 -0.029 0.000 2.230 5 Q HA -0.013 4.325 4.340 -0.002 0.000 0.202 5 Q C -0.462 175.334 176.000 -0.340 0.000 0.963 5 Q CA 1.427 57.078 55.803 -0.252 0.000 0.866 5 Q CB 0.291 28.761 28.738 -0.446 0.000 0.931 5 Q HN 0.441 nan 8.270 nan 0.000 0.452 6 Y N -0.444 119.910 120.300 0.091 0.000 2.630 6 Y HA 0.306 4.852 4.550 -0.006 0.000 0.337 6 Y C -0.642 175.155 175.900 -0.172 0.000 1.051 6 Y CA -1.731 56.365 58.100 -0.006 0.000 1.121 6 Y CB 1.107 39.597 38.460 0.050 0.000 1.299 6 Y HN -0.124 nan 8.280 nan 0.000 0.498 7 D N 0.936 121.267 120.400 -0.116 0.000 2.347 7 D HA 0.189 4.827 4.640 -0.002 0.000 0.235 7 D C -0.961 175.080 176.300 -0.431 0.000 1.149 7 D CA 0.022 53.950 54.000 -0.121 0.000 0.850 7 D CB 0.117 40.946 40.800 0.049 0.000 1.061 7 D HN 0.400 nan 8.370 nan 0.000 0.487 8 F N 2.031 121.995 119.950 0.024 0.000 2.735 8 F HA 0.195 4.723 4.527 0.001 0.000 0.304 8 F C 1.781 177.654 175.800 0.122 0.000 1.119 8 F CA -0.304 57.638 58.000 -0.098 0.000 1.280 8 F CB 0.963 39.665 39.000 -0.498 0.000 0.994 8 F HN 0.250 nan 8.300 nan 0.000 0.520 9 T N -2.728 111.909 114.554 0.139 0.000 3.056 9 T HA 0.093 4.442 4.350 -0.002 0.000 0.241 9 T C 0.138 174.743 174.700 -0.159 0.000 1.006 9 T CA 0.478 62.546 62.100 -0.054 0.000 1.115 9 T CB -0.050 68.655 68.868 -0.271 0.000 0.939 9 T HN 0.035 nan 8.240 nan 0.000 0.462 10 H N 0.958 120.088 119.070 0.099 0.000 2.562 10 H HA 0.494 5.049 4.556 -0.001 0.000 0.314 10 H C -0.475 174.876 175.328 0.038 0.000 1.079 10 H CA -0.540 55.534 56.048 0.042 0.000 1.349 10 H CB 0.773 30.540 29.762 0.009 0.000 1.432 10 H HN -0.031 nan 8.280 nan 0.000 0.479 11 V N 6.150 126.105 119.914 0.068 0.000 2.508 11 V HA 0.102 4.221 4.120 -0.002 0.000 0.281 11 V C -1.805 174.232 176.094 -0.095 0.000 1.041 11 V CA -1.592 60.680 62.300 -0.047 0.000 1.016 11 V CB 0.357 32.074 31.823 -0.178 0.000 0.984 11 V HN 0.733 nan 8.190 nan 0.000 0.478 12 P HA 0.215 nan 4.420 nan 0.000 0.265 12 P C -0.157 177.012 177.300 -0.218 0.000 1.193 12 P CA 0.142 63.177 63.100 -0.107 0.000 0.765 12 P CB 0.253 31.915 31.700 -0.064 0.000 0.823 13 K N 3.739 124.036 120.400 -0.172 0.000 2.273 13 K HA 0.249 4.567 4.320 -0.002 0.000 0.287 13 K C 0.334 176.846 176.600 -0.147 0.000 1.089 13 K CA -0.590 55.581 56.287 -0.195 0.000 0.909 13 K CB -0.164 32.254 32.500 -0.138 0.000 1.123 13 K HN 0.279 nan 8.250 nan 0.000 0.473 14 R N 1.626 122.027 120.500 -0.166 0.000 2.560 14 R HA 0.243 4.581 4.340 -0.002 0.000 0.270 14 R C 0.441 176.719 176.300 -0.036 0.000 1.074 14 R CA -0.592 55.464 56.100 -0.074 0.000 1.140 14 R CB 0.335 30.627 30.300 -0.013 0.000 1.073 14 R HN 0.839 nan 8.270 nan 0.000 0.527 15 Q N -0.382 119.410 119.800 -0.015 0.000 2.500 15 Q HA 0.199 4.537 4.340 -0.002 0.000 0.215 15 Q C 1.355 177.370 176.000 0.026 0.000 1.062 15 Q CA 0.188 55.990 55.803 -0.002 0.000 0.996 15 Q CB 0.377 29.110 28.738 -0.008 0.000 1.239 15 Q HN 0.833 nan 8.270 nan 0.000 0.578 16 G N 0.836 109.651 108.800 0.026 0.000 2.744 16 G HA2 -0.164 3.795 3.960 -0.002 0.000 0.211 16 G HA3 -0.164 3.795 3.960 -0.002 0.000 0.211 16 G C 0.696 175.629 174.900 0.055 0.000 1.143 16 G CA 0.273 45.399 45.100 0.044 0.000 0.788 16 G HN 0.681 nan 8.290 nan 0.000 0.534 17 N N 0.174 118.902 118.700 0.046 0.000 2.251 17 N HA 0.049 4.788 4.740 -0.002 0.000 0.217 17 N C 0.416 175.965 175.510 0.064 0.000 1.124 17 N CA -0.144 52.936 53.050 0.050 0.000 0.843 17 N CB 0.107 38.613 38.487 0.032 0.000 1.024 17 N HN 0.011 nan 8.380 nan 0.000 0.501 18 S N 0.536 116.288 115.700 0.086 0.000 2.533 18 S HA 0.222 4.690 4.470 -0.002 0.000 0.282 18 S C 1.394 176.070 174.600 0.126 0.000 1.304 18 S CA -0.614 57.653 58.200 0.112 0.000 1.063 18 S CB 0.207 63.511 63.200 0.174 0.000 0.881 18 S HN 0.248 nan 8.310 nan 0.000 0.493 19 I N 4.622 125.250 120.570 0.095 0.000 2.286 19 I HA -0.084 4.085 4.170 -0.002 0.000 0.245 19 I C 2.504 178.702 176.117 0.134 0.000 1.104 19 I CA 1.010 62.382 61.300 0.120 0.000 1.397 19 I CB -0.220 37.827 38.000 0.078 0.000 1.072 19 I HN 0.710 nan 8.210 nan 0.000 0.417 20 K N 0.264 120.659 120.400 -0.009 0.000 2.097 20 K HA -0.177 4.142 4.320 -0.002 0.000 0.205 20 K C 1.345 177.837 176.600 -0.180 0.000 1.050 20 K CA 1.574 57.743 56.287 -0.197 0.000 0.938 20 K CB -0.013 32.290 32.500 -0.328 0.000 0.718 20 K HN 0.280 nan 8.250 nan 0.000 0.442 21 W N -0.811 120.538 121.300 0.082 0.000 2.862 21 W HA 0.313 4.972 4.660 -0.001 0.000 0.376 21 W C 1.493 178.055 176.519 0.071 0.000 1.028 21 W CA -0.282 57.108 57.345 0.074 0.000 1.757 21 W CB 0.618 30.096 29.460 0.030 0.000 1.128 21 W HN 0.160 nan 8.180 nan 0.000 0.566 22 G N 0.466 109.413 108.800 0.245 0.000 2.395 22 G HA2 -0.015 3.943 3.960 -0.002 0.000 0.214 22 G HA3 -0.015 3.943 3.960 -0.002 0.000 0.214 22 G C 1.044 176.026 174.900 0.136 0.000 1.177 22 G CA 1.443 46.649 45.100 0.177 0.000 0.794 22 G HN 0.150 nan 8.290 nan 0.000 0.532 23 V N 0.823 120.806 119.914 0.116 0.000 3.006 23 V HA 0.579 4.697 4.120 -0.002 0.000 0.357 23 V C 0.429 176.557 176.094 0.057 0.000 1.377 23 V CA -0.391 61.953 62.300 0.074 0.000 1.198 23 V CB -0.077 31.777 31.823 0.051 0.000 1.216 23 V HN 0.142 nan 8.190 nan 0.000 0.520 24 L N 1.400 122.674 121.223 0.085 0.000 2.371 24 L HA 0.540 4.878 4.340 -0.002 0.000 0.272 24 L C 1.026 177.929 176.870 0.054 0.000 1.124 24 L CA -0.233 54.644 54.840 0.061 0.000 0.816 24 L CB 0.968 43.084 42.059 0.096 0.000 1.129 24 L HN 0.443 nan 8.230 nan 0.000 0.448 25 K N 1.816 122.229 120.400 0.022 0.000 2.319 25 K HA 0.416 4.735 4.320 -0.002 0.000 0.265 25 K C 0.427 177.051 176.600 0.039 0.000 1.000 25 K CA 0.244 56.542 56.287 0.019 0.000 0.943 25 K CB -0.142 32.355 32.500 -0.006 0.000 0.950 25 K HN 0.744 nan 8.250 nan 0.000 0.485 26 E N -0.110 120.112 120.200 0.037 0.000 2.568 26 E HA 0.386 4.734 4.350 -0.002 0.000 0.262 26 E C 1.379 178.001 176.600 0.036 0.000 0.961 26 E CA 1.473 57.899 56.400 0.043 0.000 0.945 26 E CB -1.072 28.645 29.700 0.028 0.000 0.924 26 E HN 2.169 nan 8.360 nan 0.000 0.467 27 K N 0.676 121.107 120.400 0.052 0.000 3.576 27 K HA -0.168 4.150 4.320 -0.002 0.000 0.266 27 K C 0.582 177.203 176.600 0.035 0.000 0.969 27 K CA 1.574 57.883 56.287 0.037 0.000 1.137 27 K CB -2.273 30.234 32.500 0.011 0.000 1.294 27 K HN 0.906 nan 8.250 nan 0.000 0.536 28 E N -0.564 119.657 120.200 0.034 0.000 2.383 28 E HA 0.491 4.840 4.350 -0.002 0.000 0.264 28 E C -0.317 176.287 176.600 0.007 0.000 1.050 28 E CA -0.305 56.094 56.400 -0.002 0.000 0.896 28 E CB 0.829 30.513 29.700 -0.027 0.000 0.982 28 E HN 0.493 nan 8.360 nan 0.000 0.424 29 L N 5.499 126.696 121.223 -0.044 0.000 2.388 29 L HA 0.387 4.725 4.340 -0.002 0.000 0.267 29 L C -2.609 174.183 176.870 -0.131 0.000 0.995 29 L CA -2.086 52.718 54.840 -0.059 0.000 0.864 29 L CB 1.208 43.261 42.059 -0.009 0.000 1.216 29 L HN 0.308 nan 8.230 nan 0.000 0.430 33 I N 3.765 123.849 120.570 -0.810 0.000 2.815 33 I HA 0.303 4.472 4.170 -0.002 0.000 0.291 33 I C 0.923 176.883 176.117 -0.261 0.000 1.209 33 I CA 0.808 61.696 61.300 -0.687 0.000 1.431 33 I CB 1.136 38.330 38.000 -1.344 0.000 1.351 33 I HN 0.280 nan 8.210 nan 0.000 0.585 34 A N 8.034 130.818 122.820 -0.059 0.000 2.990 34 A HA 0.259 4.577 4.320 -0.002 0.000 0.282 34 A C 0.072 177.749 177.584 0.155 0.000 1.688 34 A CA -0.197 51.921 52.037 0.135 0.000 1.391 34 A CB -0.637 18.402 19.000 0.066 0.000 1.112 34 A HN 0.806 nan 8.150 nan 0.000 0.588 38 F N 0.962 120.983 119.950 0.118 0.000 2.551 38 F HA 0.416 4.940 4.527 -0.004 0.000 0.316 38 F C 0.919 176.791 175.800 0.121 0.000 1.089 38 F CA -0.848 57.246 58.000 0.157 0.000 0.915 38 F CB 1.394 40.587 39.000 0.323 0.000 1.186 38 F HN -0.451 nan 8.300 nan 0.000 0.456 39 K N 2.967 123.531 120.400 0.274 0.000 2.355 39 K HA 0.342 4.661 4.320 -0.002 0.000 0.270 39 K C 0.150 176.802 176.600 0.086 0.000 1.003 39 K CA -0.352 56.006 56.287 0.118 0.000 0.957 39 K CB 0.750 33.284 32.500 0.055 0.000 0.939 39 K HN 0.659 nan 8.250 nan 0.000 0.482 40 I N -0.806 119.712 120.570 -0.086 0.000 3.004 40 I HA 0.189 4.357 4.170 -0.002 0.000 0.287 40 I C 0.249 176.037 176.117 -0.547 0.000 1.144 40 I CA -0.605 60.477 61.300 -0.364 0.000 1.353 40 I CB 0.645 38.456 38.000 -0.315 0.000 1.417 40 I HN 0.538 nan 8.210 nan 0.000 0.602 41 A N 4.652 126.827 122.820 -1.075 0.000 2.546 41 A HA 0.262 4.581 4.320 -0.002 0.000 0.243 41 A C -1.493 175.871 177.584 -0.367 0.000 1.063 41 A CA -0.886 50.612 52.037 -0.897 0.000 0.757 41 A CB -0.610 17.838 19.000 -0.920 0.000 0.991 41 A HN 0.770 nan 8.150 nan 0.000 0.503 42 P HA -0.089 nan 4.420 nan 0.000 0.222 42 P C 0.779 178.043 177.300 -0.060 0.000 1.147 42 P CA 1.141 64.217 63.100 -0.039 0.000 0.790 42 P CB 0.223 31.975 31.700 0.085 0.000 0.780 43 E N -0.470 119.695 120.200 -0.059 0.000 2.153 43 E HA -0.074 4.274 4.350 -0.002 0.000 0.194 43 E C 1.166 177.679 176.600 -0.146 0.000 0.988 43 E CA 0.578 56.937 56.400 -0.069 0.000 0.811 43 E CB -0.608 29.067 29.700 -0.042 0.000 0.746 43 E HN 0.288 nan 8.360 nan 0.000 0.466 50 E N 1.986 122.177 120.200 -0.015 0.000 2.077 50 E HA -0.175 4.174 4.350 -0.002 0.000 0.193 50 E C 1.901 178.511 176.600 0.017 0.000 0.989 50 E CA 2.166 58.564 56.400 -0.003 0.000 0.800 50 E CB -0.116 29.577 29.700 -0.011 0.000 0.746 50 E HN 0.107 nan 8.360 nan 0.000 0.452 51 K N 0.417 120.828 120.400 0.018 0.000 2.057 51 K HA -0.046 4.273 4.320 -0.002 0.000 0.207 51 K C 2.063 178.757 176.600 0.157 0.000 1.049 51 K CA 1.450 57.775 56.287 0.063 0.000 0.931 51 K CB -0.582 31.934 32.500 0.028 0.000 0.714 51 K HN 0.274 nan 8.250 nan 0.000 0.440 52 L N 0.617 121.910 121.223 0.117 0.000 2.187 52 L HA -0.209 4.130 4.340 -0.002 0.000 0.213 52 L C 2.125 179.116 176.870 0.201 0.000 1.100 52 L CA 1.397 56.365 54.840 0.214 0.000 0.765 52 L CB -0.402 41.705 42.059 0.080 0.000 0.904 52 L HN 0.261 nan 8.230 nan 0.000 0.437 53 K N -0.462 119.992 120.400 0.090 0.000 2.281 53 K HA -0.133 4.186 4.320 -0.002 0.000 0.203 53 K C 1.971 178.567 176.600 -0.006 0.000 1.046 53 K CA 0.869 57.176 56.287 0.032 0.000 0.938 53 K CB -0.099 32.407 32.500 0.010 0.000 0.737 53 K HN 0.179 nan 8.250 nan 0.000 0.458 54 V N 0.888 120.796 119.914 -0.010 0.000 2.407 54 V HA -0.205 3.914 4.120 -0.002 0.000 0.248 54 V C 1.262 177.185 176.094 -0.286 0.000 1.055 54 V CA 1.433 63.655 62.300 -0.129 0.000 1.049 54 V CB -0.766 30.981 31.823 -0.126 0.000 0.662 54 V HN 0.509 nan 8.190 nan 0.000 0.455 55 A N -0.965 121.631 122.820 -0.372 0.000 2.826 55 A HA 0.035 4.353 4.320 -0.002 0.000 0.274 55 A C 0.463 177.652 177.584 -0.658 0.000 1.443 55 A CA 0.905 52.704 52.037 -0.398 0.000 0.833 55 A CB -1.832 17.080 19.000 -0.148 0.000 1.023 55 A HN 1.893 nan 8.150 nan 0.000 0.600 56 A N -1.558 120.540 122.820 -1.202 0.000 2.513 56 A HA 0.720 5.039 4.320 -0.002 0.000 0.296 56 A C -0.755 176.185 177.584 -1.072 0.000 1.052 56 A CA -0.302 51.233 52.037 -0.837 0.000 0.714 56 A CB 0.725 19.487 19.000 -0.397 0.000 1.279 56 A HN 1.199 nan 8.150 nan 0.000 0.397 57 F N 2.194 122.099 119.950 -0.075 0.000 2.584 57 F HA 0.490 5.001 4.527 -0.027 0.000 0.328 57 F C 1.095 176.808 175.800 -0.146 0.000 1.407 57 F CA -0.377 57.565 58.000 -0.097 0.000 1.145 57 F CB 1.182 40.127 39.000 -0.092 0.000 1.440 57 F HN 0.774 nan 8.300 nan 0.000 0.580 58 G N -0.622 108.146 108.800 -0.053 0.000 2.489 58 G HA2 0.190 4.149 3.960 -0.002 0.000 0.271 58 G HA3 0.190 4.149 3.960 -0.002 0.000 0.271 58 G C -0.833 173.984 174.900 -0.138 0.000 1.427 58 G CA -0.377 44.636 45.100 -0.145 0.000 1.057 58 G HN 0.213 nan 8.290 nan 0.000 0.532 59 Y N 0.474 120.788 120.300 0.024 0.000 2.411 59 Y HA 0.251 4.801 4.550 -0.000 0.000 0.333 59 Y C 1.054 176.955 175.900 0.001 0.000 1.186 59 Y CA 0.325 58.436 58.100 0.018 0.000 1.381 59 Y CB 0.640 39.113 38.460 0.021 0.000 1.273 59 Y HN 0.257 nan 8.280 nan 0.000 0.546 60 E N 1.415 121.696 120.200 0.135 0.000 2.199 60 E HA 0.368 4.717 4.350 -0.002 0.000 0.269 60 E C -0.806 175.799 176.600 0.009 0.000 0.899 60 E CA -0.713 55.703 56.400 0.027 0.000 0.772 60 E CB 1.970 31.634 29.700 -0.060 0.000 1.155 60 E HN 0.645 nan 8.360 nan 0.000 0.408 61 S N 0.391 116.081 115.700 -0.017 0.000 2.672 61 S HA 0.412 4.880 4.470 -0.002 0.000 0.276 61 S C 0.113 174.636 174.600 -0.128 0.000 1.207 61 S CA -0.802 57.381 58.200 -0.029 0.000 1.002 61 S CB 1.172 64.374 63.200 0.003 0.000 0.998 61 S HN 0.225 nan 8.310 nan 0.000 0.542 62 V N 3.616 123.457 119.914 -0.122 0.000 2.353 62 V HA 0.375 4.493 4.120 -0.002 0.000 0.264 62 V C -1.766 174.227 176.094 -0.168 0.000 1.049 62 V CA -1.391 60.760 62.300 -0.248 0.000 0.896 62 V CB 0.116 31.809 31.823 -0.216 0.000 1.025 62 V HN 0.840 nan 8.190 nan 0.000 0.475 63 P HA 0.267 nan 4.420 nan 0.000 0.277 63 P C 0.759 177.976 177.300 -0.137 0.000 1.240 63 P CA -0.339 62.706 63.100 -0.091 0.000 0.798 63 P CB 1.499 33.166 31.700 -0.055 0.000 0.979 64 A N 2.261 125.088 122.820 0.010 0.000 1.997 64 A HA -0.250 4.069 4.320 -0.002 0.000 0.221 64 A C 1.921 179.538 177.584 0.054 0.000 1.172 64 A CA 1.935 54.037 52.037 0.108 0.000 0.645 64 A CB -1.139 17.943 19.000 0.137 0.000 0.813 64 A HN 0.603 nan 8.150 nan 0.000 0.454 65 E N -1.654 118.560 120.200 0.024 0.000 2.204 65 E HA -0.177 4.171 4.350 -0.002 0.000 0.195 65 E C 1.637 178.261 176.600 0.040 0.000 0.990 65 E CA 1.288 57.711 56.400 0.039 0.000 0.821 65 E CB -0.466 29.255 29.700 0.034 0.000 0.750 65 E HN 0.826 nan 8.360 nan 0.000 0.477 66 Y N -0.363 119.834 120.300 -0.171 0.000 2.163 66 Y HA -0.278 4.269 4.550 -0.005 0.000 0.288 66 Y C 1.473 177.334 175.900 -0.065 0.000 1.136 66 Y CA 1.566 59.569 58.100 -0.163 0.000 1.147 66 Y CB -0.220 38.050 38.460 -0.317 0.000 0.987 66 Y HN 0.065 nan 8.280 nan 0.000 0.509 67 Y N 0.442 120.853 120.300 0.184 0.000 2.242 67 Y HA -0.120 4.431 4.550 0.001 0.000 0.291 67 Y C 2.536 178.433 175.900 -0.005 0.000 1.137 67 Y CA 1.322 59.465 58.100 0.071 0.000 1.181 67 Y CB -0.926 37.609 38.460 0.125 0.000 0.989 67 Y HN 0.082 nan 8.280 nan 0.000 0.527 68 K N 0.646 121.137 120.400 0.151 0.000 2.026 68 K HA -0.185 4.134 4.320 -0.002 0.000 0.208 68 K C 2.327 178.961 176.600 0.057 0.000 1.048 68 K CA 1.287 57.626 56.287 0.087 0.000 0.929 68 K CB -0.324 32.223 32.500 0.078 0.000 0.713 68 K HN 0.241 nan 8.250 nan 0.000 0.439 69 A N 0.768 123.610 122.820 0.036 0.000 1.883 69 A HA -0.130 4.189 4.320 -0.002 0.000 0.217 69 A C 2.272 179.858 177.584 0.004 0.000 1.186 69 A CA 1.780 53.849 52.037 0.055 0.000 0.624 69 A CB -0.764 18.267 19.000 0.053 0.000 0.822 69 A HN 0.192 nan 8.150 nan 0.000 0.444 70 V N -0.241 119.589 119.914 -0.141 0.000 2.287 70 V HA -0.272 3.847 4.120 -0.002 0.000 0.248 70 V C 3.058 179.100 176.094 -0.087 0.000 1.053 70 V CA 2.118 64.242 62.300 -0.295 0.000 1.027 70 V CB -1.172 30.513 31.823 -0.230 0.000 0.646 70 V HN 0.636 nan 8.190 nan 0.000 0.447 71 A N -0.416 122.391 122.820 -0.022 0.000 1.898 71 A HA -0.214 4.104 4.320 -0.002 0.000 0.216 71 A C 1.984 179.592 177.584 0.040 0.000 1.181 71 A CA 1.839 53.871 52.037 -0.008 0.000 0.620 71 A CB -0.572 18.407 19.000 -0.034 0.000 0.819 71 A HN 0.538 nan 8.150 nan 0.000 0.442 72 D N -1.112 119.331 120.400 0.072 0.000 2.117 72 D HA -0.170 4.468 4.640 -0.002 0.000 0.197 72 D C 1.674 178.069 176.300 0.158 0.000 0.987 72 D CA 0.955 55.018 54.000 0.104 0.000 0.829 72 D CB -0.454 40.429 40.800 0.138 0.000 0.961 72 D HN 0.738 nan 8.370 nan 0.000 0.460 73 W N 2.009 123.320 121.300 0.018 0.000 2.355 73 W HA -0.171 4.489 4.660 -0.000 0.000 0.309 73 W C 1.642 178.187 176.519 0.044 0.000 1.206 73 W CA 1.086 58.461 57.345 0.050 0.000 1.284 73 W CB 0.061 29.419 29.460 -0.171 0.000 1.145 73 W HN -0.069 nan 8.180 nan 0.000 0.502 74 E N 0.449 120.724 120.200 0.126 0.000 2.077 74 E HA -0.260 4.088 4.350 -0.002 0.000 0.193 74 E C 1.865 178.500 176.600 0.059 0.000 0.989 74 E CA 1.768 58.272 56.400 0.173 0.000 0.800 74 E CB -0.650 29.247 29.700 0.329 0.000 0.746 74 E HN 0.552 nan 8.360 nan 0.000 0.452 75 E N 0.718 120.941 120.200 0.037 0.000 2.051 75 E HA -0.163 4.186 4.350 -0.002 0.000 0.192 75 E C 2.213 178.764 176.600 -0.081 0.000 0.991 75 E CA 1.023 57.426 56.400 0.005 0.000 0.799 75 E CB -0.086 29.619 29.700 0.008 0.000 0.748 75 E HN 0.178 nan 8.360 nan 0.000 0.449 76 I N 0.783 121.267 120.570 -0.143 0.000 2.233 76 I HA -0.188 3.980 4.170 -0.002 0.000 0.243 76 I C 2.333 178.247 176.117 -0.339 0.000 1.093 76 I CA 0.969 62.130 61.300 -0.232 0.000 1.380 76 I CB -0.148 37.676 38.000 -0.294 0.000 1.067 76 I HN 0.120 nan 8.210 nan 0.000 0.413 77 E N -0.351 119.518 120.200 -0.551 0.000 2.250 77 E HA -0.060 4.289 4.350 -0.002 0.000 0.192 77 E C 1.277 177.400 176.600 -0.794 0.000 0.986 77 E CA 0.945 56.863 56.400 -0.803 0.000 0.849 77 E CB 0.116 28.988 29.700 -1.380 0.000 0.797 77 E HN 0.583 nan 8.360 nan 0.000 0.482 78 H N -0.631 118.360 119.070 -0.132 0.000 3.058 78 H HA 0.196 4.751 4.556 -0.003 0.000 0.266 78 H C 0.008 175.318 175.328 -0.031 0.000 1.135 78 H CA 0.134 56.148 56.048 -0.057 0.000 1.174 78 H CB 0.701 30.456 29.762 -0.012 0.000 1.581 78 H HN -0.118 nan 8.280 nan 0.000 0.553 79 R N -0.322 120.189 120.500 0.018 0.000 3.641 79 R HA -0.117 4.221 4.340 -0.002 0.000 0.286 79 R C 0.268 176.611 176.300 0.071 0.000 1.153 79 R CA 0.616 56.731 56.100 0.026 0.000 0.775 79 R CB -3.111 27.197 30.300 0.014 0.000 1.215 79 R HN 0.622 nan 8.270 nan 0.000 0.474 80 A N -0.052 122.845 122.820 0.128 0.000 2.855 80 A HA 0.613 4.931 4.320 -0.002 0.000 0.313 80 A C -0.008 177.768 177.584 0.320 0.000 1.173 80 A CA -0.585 51.576 52.037 0.207 0.000 0.753 80 A CB 0.868 19.958 19.000 0.152 0.000 1.200 80 A HN 0.353 nan 8.150 nan 0.000 0.442 81 R N 3.356 123.979 120.500 0.204 0.000 2.234 81 R HA 0.448 4.786 4.340 -0.002 0.000 0.324 81 R C -2.411 173.914 176.300 0.041 0.000 1.054 81 R CA -1.427 54.739 56.100 0.109 0.000 0.912 81 R CB 0.828 31.138 30.300 0.017 0.000 1.030 81 R HN 0.450 nan 8.270 nan 0.000 0.455 82 P HA 0.116 nan 4.420 nan 0.000 0.276 82 P C -1.134 175.787 177.300 -0.632 0.000 1.244 82 P CA -0.333 62.453 63.100 -0.523 0.000 0.801 82 P CB 0.892 32.174 31.700 -0.698 0.000 1.006 83 K N 1.445 121.077 120.400 -1.281 0.000 2.401 83 K HA 0.012 4.331 4.320 -0.002 0.000 0.278 83 K C 1.253 177.508 176.600 -0.576 0.000 1.018 83 K CA 0.055 55.741 56.287 -1.003 0.000 0.981 83 K CB 0.368 32.002 32.500 -1.444 0.000 0.933 83 K HN 0.355 nan 8.250 nan 0.000 0.477 84 E N 1.558 121.576 120.200 -0.303 0.000 2.097 84 E HA -0.233 4.116 4.350 -0.002 0.000 0.196 84 E C 1.106 177.590 176.600 -0.192 0.000 1.000 84 E CA 1.861 58.177 56.400 -0.140 0.000 0.804 84 E CB -0.036 29.655 29.700 -0.014 0.000 0.740 84 E HN 0.643 nan 8.360 nan 0.000 0.454 85 D N -0.801 119.492 120.400 -0.180 0.000 2.363 85 D HA -0.146 4.492 4.640 -0.002 0.000 0.226 85 D C 0.654 176.999 176.300 0.074 0.000 1.020 85 D CA 0.267 54.207 54.000 -0.100 0.000 0.892 85 D CB -0.425 40.361 40.800 -0.024 0.000 0.900 85 D HN 0.264 nan 8.370 nan 0.000 0.531 86 W N 0.804 122.031 121.300 -0.123 0.000 2.905 86 W HA 0.169 4.827 4.660 -0.003 0.000 0.251 86 W C 0.371 176.827 176.519 -0.105 0.000 1.305 86 W CA -1.474 55.812 57.345 -0.098 0.000 1.465 86 W CB -0.907 28.483 29.460 -0.117 0.000 1.122 86 W HN -0.032 nan 8.180 nan 0.000 0.659 87 C N 1.251 120.567 119.300 0.026 0.000 2.350 87 C HA 0.631 5.090 4.460 -0.002 0.000 0.348 87 C C 0.487 175.488 174.990 0.019 0.000 1.260 87 C CA -0.655 58.385 59.018 0.036 0.000 1.966 87 C CB 0.786 28.579 27.740 0.090 0.000 2.380 87 C HN -0.257 nan 8.230 nan 0.000 0.535 88 V N 3.602 123.682 119.914 0.277 0.000 2.623 88 V HA 0.307 4.426 4.120 -0.002 0.000 0.304 88 V C -0.358 176.043 176.094 0.511 0.000 1.054 88 V CA -0.500 62.044 62.300 0.406 0.000 0.882 88 V CB 1.416 33.454 31.823 0.359 0.000 1.002 88 V HN 0.758 nan 8.190 nan 0.000 0.424 89 F N 4.268 124.468 119.950 0.417 0.000 2.518 89 F HA 0.587 5.113 4.527 -0.001 0.000 0.359 89 F C 0.481 176.318 175.800 0.063 0.000 1.118 89 F CA 0.486 58.608 58.000 0.204 0.000 1.287 89 F CB 0.595 39.564 39.000 -0.051 0.000 1.132 89 F HN 0.679 nan 8.300 nan 0.000 0.587 90 A N 3.608 125.815 122.820 -1.022 0.000 2.556 90 A HA 0.490 4.808 4.320 -0.002 0.000 0.294 90 A C 0.201 177.049 177.584 -1.227 0.000 1.091 90 A CA -0.393 51.013 52.037 -1.053 0.000 0.704 90 A CB 1.299 19.589 19.000 -1.184 0.000 1.300 90 A HN 0.682 nan 8.150 nan 0.000 0.406 91 S N -0.199 115.099 115.700 -0.669 0.000 2.603 91 S HA 0.384 4.853 4.470 -0.002 0.000 0.229 91 S C 0.749 175.150 174.600 -0.332 0.000 0.972 91 S CA 0.955 58.945 58.200 -0.349 0.000 0.935 91 S CB -0.224 62.921 63.200 -0.090 0.000 0.769 91 S HN 1.724 nan 8.310 nan 0.000 0.536 92 G N -0.780 107.783 108.800 -0.395 0.000 2.377 92 G HA2 0.327 4.285 3.960 -0.002 0.000 0.297 92 G HA3 0.327 4.285 3.960 -0.002 0.000 0.297 92 G C 0.102 174.850 174.900 -0.253 0.000 1.547 92 G CA -0.709 44.220 45.100 -0.285 0.000 0.833 92 G HN -0.095 nan 8.290 nan 0.000 0.583 93 V N 0.628 120.453 119.914 -0.148 0.000 2.270 93 V HA -0.113 4.006 4.120 -0.002 0.000 0.245 93 V C 2.908 178.980 176.094 -0.037 0.000 1.043 93 V CA 2.115 64.367 62.300 -0.080 0.000 1.014 93 V CB -0.560 31.251 31.823 -0.020 0.000 0.645 93 V HN 0.584 nan 8.190 nan 0.000 0.447 94 V N 0.336 120.253 119.914 0.005 0.000 2.343 94 V HA -0.130 3.989 4.120 -0.002 0.000 0.247 94 V C 0.041 176.121 176.094 -0.023 0.000 1.051 94 V CA 2.364 64.697 62.300 0.055 0.000 1.036 94 V CB -1.738 30.150 31.823 0.108 0.000 0.654 94 V HN 0.509 nan 8.190 nan 0.000 0.451 95 P HA -0.119 nan 4.420 nan 0.000 0.217 95 P C 1.678 178.898 177.300 -0.133 0.000 1.150 95 P CA 1.866 64.893 63.100 -0.121 0.000 0.832 95 P CB -0.124 31.462 31.700 -0.189 0.000 0.787 96 A N -0.569 122.120 122.820 -0.219 0.000 1.902 96 A HA -0.177 4.141 4.320 -0.002 0.000 0.217 96 A C 2.183 179.791 177.584 0.041 0.000 1.181 96 A CA 1.411 53.320 52.037 -0.212 0.000 0.623 96 A CB -1.621 17.149 19.000 -0.383 0.000 0.818 96 A HN 0.107 nan 8.150 nan 0.000 0.443 97 I N -0.797 119.781 120.570 0.014 0.000 2.163 97 I HA -0.244 3.925 4.170 -0.002 0.000 0.243 97 I C 2.831 178.961 176.117 0.022 0.000 1.085 97 I CA 1.535 62.851 61.300 0.027 0.000 1.347 97 I CB -0.358 37.635 38.000 -0.012 0.000 1.044 97 I HN 0.390 nan 8.210 nan 0.000 0.408 98 S N 0.502 116.209 115.700 0.011 0.000 2.359 98 S HA -0.100 4.369 4.470 -0.002 0.000 0.224 98 S C 1.428 176.031 174.600 0.004 0.000 1.035 98 S CA 0.948 59.152 58.200 0.006 0.000 1.018 98 S CB -0.338 62.862 63.200 0.000 0.000 0.876 98 S HN 0.417 nan 8.310 nan 0.000 0.448 102 R N 0.314 120.779 120.500 -0.059 0.000 2.115 102 R HA -0.165 4.174 4.340 -0.002 0.000 0.230 102 R C 2.035 178.271 176.300 -0.106 0.000 1.111 102 R CA 1.931 57.996 56.100 -0.059 0.000 0.976 102 R CB -0.058 30.213 30.300 -0.048 0.000 0.870 102 R HN 0.489 nan 8.270 nan 0.000 0.445 103 Q N -0.568 119.075 119.800 -0.262 0.000 2.163 103 Q HA -0.016 4.323 4.340 -0.002 0.000 0.198 103 Q C 0.604 176.512 176.000 -0.153 0.000 0.954 103 Q CA 1.295 56.879 55.803 -0.364 0.000 0.851 103 Q CB 0.357 28.620 28.738 -0.792 0.000 0.928 103 Q HN 0.176 nan 8.270 nan 0.000 0.459 104 F N -0.599 119.355 119.950 0.008 0.000 2.678 104 F HA 0.342 4.867 4.527 -0.003 0.000 0.305 104 F C 0.381 176.195 175.800 0.024 0.000 1.090 104 F CA 0.132 58.137 58.000 0.010 0.000 1.272 104 F CB 0.084 39.089 39.000 0.008 0.000 1.060 104 F HN -0.071 nan 8.300 nan 0.000 0.576 105 T N -3.460 111.192 114.554 0.163 0.000 2.838 105 T HA 0.734 5.083 4.350 -0.002 0.000 0.292 105 T C -0.270 174.471 174.700 0.069 0.000 1.113 105 T CA -0.699 61.466 62.100 0.108 0.000 1.008 105 T CB 2.132 71.054 68.868 0.090 0.000 1.259 105 T HN -0.182 nan 8.240 nan 0.000 0.520 106 S N 1.634 117.368 115.700 0.057 0.000 2.621 106 S HA 0.688 5.156 4.470 -0.002 0.000 0.302 106 S C -2.768 171.853 174.600 0.035 0.000 1.093 106 S CA -1.267 56.957 58.200 0.041 0.000 1.017 106 S CB 1.241 64.465 63.200 0.039 0.000 1.077 106 S HN 0.663 nan 8.310 nan 0.000 0.517 107 P HA 0.174 nan 4.420 nan 0.000 0.262 107 P C 0.921 178.237 177.300 0.026 0.000 1.182 107 P CA 1.205 64.320 63.100 0.025 0.000 0.761 107 P CB 0.116 31.828 31.700 0.021 0.000 0.795 108 G N 1.978 110.794 108.800 0.027 0.000 2.234 108 G HA2 -0.192 3.767 3.960 -0.002 0.000 0.235 108 G HA3 -0.192 3.767 3.960 -0.002 0.000 0.235 108 G C 0.083 175.000 174.900 0.029 0.000 0.997 108 G CA -0.291 44.824 45.100 0.026 0.000 0.623 108 G HN 0.496 nan 8.290 nan 0.000 0.514 109 D N 1.480 121.900 120.400 0.033 0.000 2.382 109 D HA 0.386 5.024 4.640 -0.002 0.000 0.240 109 D C 0.910 177.232 176.300 0.037 0.000 1.146 109 D CA 0.425 54.447 54.000 0.037 0.000 0.897 109 D CB 0.460 41.287 40.800 0.046 0.000 1.197 109 D HN 0.524 nan 8.370 nan 0.000 0.432 110 Q N 0.669 120.490 119.800 0.035 0.000 2.235 110 Q HA 0.558 4.897 4.340 -0.002 0.000 0.250 110 Q C -0.320 175.704 176.000 0.040 0.000 0.909 110 Q CA -0.365 55.460 55.803 0.037 0.000 0.910 110 Q CB 1.764 30.520 28.738 0.029 0.000 1.223 110 Q HN 0.355 nan 8.270 nan 0.000 0.432 111 I N 2.900 123.498 120.570 0.047 0.000 2.447 111 I HA 0.276 4.445 4.170 -0.002 0.000 0.287 111 I C -0.842 175.306 176.117 0.052 0.000 1.023 111 I CA -0.748 60.577 61.300 0.043 0.000 1.083 111 I CB 1.622 39.644 38.000 0.037 0.000 1.245 111 I HN 0.412 nan 8.210 nan 0.000 0.434 112 L N 8.398 129.644 121.223 0.039 0.000 2.305 112 L HA 0.616 4.954 4.340 -0.002 0.000 0.281 112 L C -0.261 176.649 176.870 0.067 0.000 1.085 112 L CA -0.254 54.615 54.840 0.049 0.000 0.813 112 L CB 1.096 43.168 42.059 0.022 0.000 1.157 112 L HN 0.525 nan 8.230 nan 0.000 0.436 113 V N 1.953 121.939 119.914 0.120 0.000 3.155 113 V HA 0.580 4.698 4.120 -0.002 0.000 0.313 113 V C -0.976 175.234 176.094 0.193 0.000 1.162 113 V CA -0.857 61.552 62.300 0.181 0.000 1.048 113 V CB 2.037 34.012 31.823 0.254 0.000 1.092 113 V HN 0.801 nan 8.190 nan 0.000 0.447 114 Q N 0.864 120.822 119.800 0.262 0.000 2.508 114 Q HA 0.442 4.781 4.340 -0.002 0.000 0.247 114 Q C -0.839 175.315 176.000 0.256 0.000 1.047 114 Q CA -0.202 55.736 55.803 0.224 0.000 0.783 114 Q CB 1.688 30.555 28.738 0.214 0.000 1.172 114 Q HN 0.782 nan 8.270 nan 0.000 0.515 115 E N 3.742 124.070 120.200 0.214 0.000 2.383 115 E HA 0.140 4.488 4.350 -0.002 0.000 0.264 115 E C -2.148 174.511 176.600 0.098 0.000 1.050 115 E CA -1.753 54.781 56.400 0.222 0.000 0.896 115 E CB 0.467 30.305 29.700 0.230 0.000 0.982 115 E HN 0.270 nan 8.360 nan 0.000 0.424 116 P HA 0.098 nan 4.420 nan 0.000 0.279 116 P C -0.863 176.494 177.300 0.095 0.000 1.239 116 P CA -0.037 63.126 63.100 0.104 0.000 0.789 116 P CB 1.246 32.958 31.700 0.020 0.000 0.933 117 V N 3.941 123.949 119.914 0.157 0.000 3.216 117 V HA 0.251 4.370 4.120 -0.002 0.000 0.302 117 V C -1.223 174.827 176.094 -0.073 0.000 1.286 117 V CA -1.120 61.131 62.300 -0.082 0.000 1.048 117 V CB 1.943 33.756 31.823 -0.018 0.000 1.081 117 V HN 0.457 nan 8.190 nan 0.000 0.442 118 Y N 5.981 125.979 120.300 -0.503 0.000 2.954 118 Y HA -0.016 4.533 4.550 -0.002 0.000 0.351 118 Y C 1.051 176.641 175.900 -0.517 0.000 1.282 118 Y CA 0.311 58.128 58.100 -0.473 0.000 1.614 118 Y CB -0.040 37.858 38.460 -0.937 0.000 1.183 118 Y HN 0.872 nan 8.280 nan 0.000 0.566 122 Y N 0.745 121.115 120.300 0.117 0.000 2.263 122 Y HA -0.020 4.529 4.550 -0.002 0.000 0.292 122 Y C 2.523 178.438 175.900 0.025 0.000 1.130 122 Y CA 1.554 59.690 58.100 0.059 0.000 1.179 122 Y CB -1.203 37.269 38.460 0.021 0.000 0.998 122 Y HN -0.067 nan 8.280 nan 0.000 0.532 123 S N -0.105 115.675 115.700 0.134 0.000 2.359 123 S HA -0.171 4.297 4.470 -0.002 0.000 0.224 123 S C 2.278 176.912 174.600 0.056 0.000 1.035 123 S CA 1.534 59.773 58.200 0.066 0.000 1.018 123 S CB -0.770 62.436 63.200 0.009 0.000 0.876 123 S HN 0.227 nan 8.310 nan 0.000 0.448 124 V N 2.268 122.213 119.914 0.052 0.000 2.233 124 V HA -0.206 3.912 4.120 -0.002 0.000 0.247 124 V C 2.119 178.242 176.094 0.048 0.000 1.050 124 V CA 1.807 64.133 62.300 0.043 0.000 1.010 124 V CB -0.787 31.063 31.823 0.046 0.000 0.637 124 V HN 0.421 nan 8.190 nan 0.000 0.444 125 I N -0.033 120.577 120.570 0.066 0.000 2.099 125 I HA -0.289 3.879 4.170 -0.002 0.000 0.239 125 I C 2.622 178.778 176.117 0.065 0.000 1.066 125 I CA 2.060 63.399 61.300 0.067 0.000 1.324 125 I CB -0.503 37.553 38.000 0.093 0.000 1.037 125 I HN 0.377 nan 8.210 nan 0.000 0.401 126 E N 0.605 120.853 120.200 0.081 0.000 2.106 126 E HA -0.124 4.225 4.350 -0.002 0.000 0.192 126 E C 2.309 178.935 176.600 0.044 0.000 0.984 126 E CA 1.053 57.491 56.400 0.062 0.000 0.806 126 E CB -0.330 29.411 29.700 0.068 0.000 0.750 126 E HN 0.605 nan 8.360 nan 0.000 0.458 127 G N 1.541 110.366 108.800 0.042 0.000 2.422 127 G HA2 -0.233 3.726 3.960 -0.002 0.000 0.218 127 G HA3 -0.233 3.726 3.960 -0.002 0.000 0.218 127 G C 1.430 176.345 174.900 0.025 0.000 1.146 127 G CA 0.430 45.548 45.100 0.030 0.000 0.769 127 G HN 0.123 nan 8.290 nan 0.000 0.547 128 N N 0.909 119.625 118.700 0.027 0.000 2.461 128 N HA 0.044 4.783 4.740 -0.002 0.000 0.188 128 N C 1.605 177.129 175.510 0.023 0.000 1.134 128 N CA 0.899 53.962 53.050 0.022 0.000 0.878 128 N CB 0.172 38.670 38.487 0.019 0.000 0.972 128 N HN 0.408 nan 8.380 nan 0.000 0.456 129 G N 1.093 109.908 108.800 0.026 0.000 2.160 129 G HA2 -0.286 3.673 3.960 -0.002 0.000 0.244 129 G HA3 -0.286 3.673 3.960 -0.002 0.000 0.244 129 G C 0.086 175.003 174.900 0.029 0.000 1.022 129 G CA 0.052 45.167 45.100 0.025 0.000 0.741 129 G HN 0.244 nan 8.290 nan 0.000 0.508 130 R N -0.685 119.836 120.500 0.035 0.000 2.782 130 R HA 0.841 5.180 4.340 -0.002 0.000 0.258 130 R C 0.560 176.887 176.300 0.046 0.000 1.055 130 R CA -0.716 55.407 56.100 0.039 0.000 1.065 130 R CB 0.774 31.098 30.300 0.041 0.000 1.172 130 R HN 0.304 nan 8.270 nan 0.000 0.510 131 R N 0.291 120.819 120.500 0.046 0.000 2.387 131 R HA 0.432 4.770 4.340 -0.002 0.000 0.314 131 R C -0.785 175.554 176.300 0.064 0.000 0.958 131 R CA -0.871 55.258 56.100 0.049 0.000 0.846 131 R CB 1.746 32.068 30.300 0.036 0.000 1.147 131 R HN 0.213 nan 8.270 nan 0.000 0.447 132 V N 5.034 124.998 119.914 0.083 0.000 2.555 132 V HA 0.226 4.344 4.120 -0.002 0.000 0.286 132 V C 0.408 176.554 176.094 0.086 0.000 1.044 132 V CA 0.003 62.372 62.300 0.115 0.000 1.026 132 V CB 0.962 32.894 31.823 0.181 0.000 0.981 132 V HN 0.648 nan 8.190 nan 0.000 0.480 133 I N 3.845 124.468 120.570 0.089 0.000 2.545 133 I HA 0.574 4.742 4.170 -0.002 0.000 0.292 133 I C -0.282 175.890 176.117 0.092 0.000 1.040 133 I CA -0.027 61.316 61.300 0.071 0.000 1.068 133 I CB 2.127 40.153 38.000 0.044 0.000 1.251 133 I HN 0.671 nan 8.210 nan 0.000 0.424 134 S N 4.446 120.199 115.700 0.088 0.000 2.482 134 S HA 0.428 4.896 4.470 -0.002 0.000 0.303 134 S C -0.723 173.917 174.600 0.066 0.000 1.091 134 S CA -0.431 57.831 58.200 0.104 0.000 1.057 134 S CB 1.585 64.865 63.200 0.134 0.000 1.031 134 S HN 0.601 nan 8.310 nan 0.000 0.485 135 S N 3.876 119.608 115.700 0.053 0.000 2.466 135 S HA 0.305 4.774 4.470 -0.002 0.000 0.313 135 S C -0.744 173.878 174.600 0.037 0.000 1.078 135 S CA -0.729 57.484 58.200 0.022 0.000 1.115 135 S CB -0.359 62.827 63.200 -0.023 0.000 1.006 135 S HN 0.770 nan 8.310 nan 0.000 0.487 136 D N 3.514 123.948 120.400 0.056 0.000 2.443 136 D HA 0.128 4.766 4.640 -0.002 0.000 0.239 136 D C 0.361 176.700 176.300 0.066 0.000 1.136 136 D CA 0.259 54.308 54.000 0.083 0.000 0.879 136 D CB 0.514 41.376 40.800 0.104 0.000 1.195 136 D HN 0.519 nan 8.370 nan 0.000 0.443 137 L N 2.337 123.606 121.223 0.078 0.000 2.416 137 L HA 0.181 4.520 4.340 -0.002 0.000 0.272 137 L C 0.591 177.604 176.870 0.239 0.000 1.161 137 L CA -0.242 54.663 54.840 0.108 0.000 0.845 137 L CB 0.271 42.339 42.059 0.014 0.000 1.119 137 L HN 0.197 nan 8.230 nan 0.000 0.464 138 I N 3.138 123.815 120.570 0.180 0.000 2.371 138 I HA 0.094 4.263 4.170 -0.002 0.000 0.290 138 I C -0.594 175.619 176.117 0.160 0.000 1.028 138 I CA -0.214 61.175 61.300 0.147 0.000 1.345 138 I CB 0.684 38.721 38.000 0.061 0.000 1.407 138 I HN 0.405 nan 8.210 nan 0.000 0.501 139 Y N 6.005 126.267 120.300 -0.063 0.000 2.342 139 Y HA 0.619 5.168 4.550 -0.002 0.000 0.338 139 Y C -0.078 175.727 175.900 -0.159 0.000 0.965 139 Y CA -0.392 57.534 58.100 -0.289 0.000 1.159 139 Y CB 0.761 38.981 38.460 -0.400 0.000 1.157 139 Y HN 0.674 nan 8.280 nan 0.000 0.486 140 E N 3.052 122.941 120.200 -0.518 0.000 2.335 140 E HA 0.415 4.764 4.350 -0.002 0.000 0.280 140 E C -0.464 175.870 176.600 -0.444 0.000 0.918 140 E CA -0.669 55.485 56.400 -0.409 0.000 0.765 140 E CB 0.827 30.416 29.700 -0.184 0.000 1.218 140 E HN 0.655 nan 8.360 nan 0.000 0.425 141 N N 1.130 119.602 118.700 -0.380 0.000 2.727 141 N HA -0.211 4.527 4.740 -0.002 0.000 0.249 141 N C 0.145 175.468 175.510 -0.312 0.000 1.048 141 N CA 1.386 54.272 53.050 -0.274 0.000 0.714 141 N CB -1.642 36.744 38.487 -0.168 0.000 0.959 141 N HN 1.329 nan 8.380 nan 0.000 0.544 142 S N -4.039 111.340 115.700 -0.534 0.000 3.476 142 S HA -0.214 4.254 4.470 -0.002 0.000 0.309 142 S C 0.480 175.009 174.600 -0.118 0.000 1.222 142 S CA 1.910 59.921 58.200 -0.315 0.000 0.922 142 S CB -1.447 61.708 63.200 -0.075 0.000 1.023 142 S HN 1.143 nan 8.310 nan 0.000 0.591 143 K N -0.352 119.883 120.400 -0.275 0.000 2.426 143 K HA 0.789 5.108 4.320 -0.002 0.000 0.251 143 K C -0.914 175.613 176.600 -0.122 0.000 0.941 143 K CA -0.671 55.558 56.287 -0.096 0.000 0.808 143 K CB 0.993 33.433 32.500 -0.100 0.000 1.265 143 K HN 0.179 nan 8.250 nan 0.000 0.432 144 Y N 0.838 121.150 120.300 0.020 0.000 2.387 144 Y HA 0.581 5.130 4.550 -0.002 0.000 0.330 144 Y C 1.039 176.852 175.900 -0.146 0.000 1.133 144 Y CA 0.121 58.209 58.100 -0.021 0.000 1.152 144 Y CB 2.439 40.834 38.460 -0.109 0.000 1.215 144 Y HN 0.837 nan 8.280 nan 0.000 0.466 145 S N -0.064 115.681 115.700 0.075 0.000 2.651 145 S HA 0.756 5.224 4.470 -0.002 0.000 0.279 145 S C -1.508 173.077 174.600 -0.026 0.000 1.148 145 S CA -1.020 57.181 58.200 0.003 0.000 0.837 145 S CB 1.213 64.419 63.200 0.011 0.000 1.138 145 S HN 0.308 nan 8.310 nan 0.000 0.478 146 V N 2.558 122.392 119.914 -0.133 0.000 2.509 146 V HA 0.419 4.537 4.120 -0.002 0.000 0.284 146 V C 0.109 175.953 176.094 -0.417 0.000 1.047 146 V CA -0.707 61.342 62.300 -0.418 0.000 0.952 146 V CB 1.136 32.347 31.823 -1.020 0.000 0.988 146 V HN 0.931 nan 8.190 nan 0.000 0.469 147 N N 3.619 122.151 118.700 -0.280 0.000 2.602 147 N HA 0.123 4.861 4.740 -0.002 0.000 0.238 147 N C 0.513 175.949 175.510 -0.124 0.000 1.084 147 N CA -0.246 52.729 53.050 -0.124 0.000 0.952 147 N CB 0.278 38.742 38.487 -0.038 0.000 1.244 147 N HN 0.683 nan 8.380 nan 0.000 0.512 148 W N 2.733 124.050 121.300 0.028 0.000 2.363 148 W HA -0.085 4.573 4.660 -0.003 0.000 0.296 148 W C 2.179 178.698 176.519 -0.001 0.000 1.212 148 W CA 1.169 58.520 57.345 0.009 0.000 1.260 148 W CB -0.164 29.301 29.460 0.009 0.000 1.131 148 W HN 0.653 nan 8.180 nan 0.000 0.530 149 A N 0.005 122.952 122.820 0.212 0.000 1.898 149 A HA -0.254 4.065 4.320 -0.002 0.000 0.216 149 A C 1.614 179.236 177.584 0.064 0.000 1.181 149 A CA 2.157 54.265 52.037 0.119 0.000 0.620 149 A CB -1.051 18.002 19.000 0.088 0.000 0.819 149 A HN 0.321 nan 8.150 nan 0.000 0.442 150 D N -0.724 119.701 120.400 0.042 0.000 2.117 150 D HA -0.150 4.488 4.640 -0.002 0.000 0.197 150 D C 1.788 178.084 176.300 -0.006 0.000 0.987 150 D CA 1.296 55.302 54.000 0.010 0.000 0.829 150 D CB -0.166 40.636 40.800 0.003 0.000 0.961 150 D HN 0.229 nan 8.370 nan 0.000 0.460 151 L N 1.063 122.278 121.223 -0.013 0.000 2.012 151 L HA -0.137 4.202 4.340 -0.002 0.000 0.210 151 L C 2.110 178.972 176.870 -0.013 0.000 1.073 151 L CA 2.081 56.902 54.840 -0.032 0.000 0.748 151 L CB -0.931 41.081 42.059 -0.078 0.000 0.891 151 L HN 0.164 nan 8.230 nan 0.000 0.431 152 E N -0.771 119.448 120.200 0.031 0.000 2.072 152 E HA -0.288 4.060 4.350 -0.002 0.000 0.191 152 E C 2.136 178.663 176.600 -0.122 0.000 0.985 152 E CA 1.205 57.602 56.400 -0.006 0.000 0.801 152 E CB -0.219 29.526 29.700 0.075 0.000 0.750 152 E HN 0.685 nan 8.360 nan 0.000 0.452 153 E N 0.630 120.787 120.200 -0.071 0.000 2.097 153 E HA -0.268 4.080 4.350 -0.002 0.000 0.196 153 E C 1.861 178.395 176.600 -0.111 0.000 1.000 153 E CA 1.489 57.835 56.400 -0.090 0.000 0.804 153 E CB 0.084 29.761 29.700 -0.039 0.000 0.740 153 E HN 0.166 nan 8.360 nan 0.000 0.454 154 K N 0.101 120.453 120.400 -0.080 0.000 2.062 154 K HA -0.067 4.252 4.320 -0.002 0.000 0.205 154 K C 2.326 178.869 176.600 -0.096 0.000 1.051 154 K CA 1.042 57.288 56.287 -0.067 0.000 0.941 154 K CB -0.089 32.392 32.500 -0.032 0.000 0.719 154 K HN 0.180 nan 8.250 nan 0.000 0.440 155 L N 0.523 121.671 121.223 -0.125 0.000 2.083 155 L HA -0.158 4.180 4.340 -0.002 0.000 0.209 155 L C 2.317 179.044 176.870 -0.238 0.000 1.083 155 L CA 1.034 55.794 54.840 -0.133 0.000 0.752 155 L CB -0.415 41.592 42.059 -0.087 0.000 0.899 155 L HN 0.199 nan 8.230 nan 0.000 0.433 156 A N -1.247 121.295 122.820 -0.463 0.000 2.238 156 A HA 0.034 4.353 4.320 -0.002 0.000 0.208 156 A C 1.042 178.499 177.584 -0.213 0.000 1.177 156 A CA 0.242 51.943 52.037 -0.560 0.000 0.804 156 A CB -0.561 17.953 19.000 -0.810 0.000 0.823 156 A HN 0.262 nan 8.150 nan 0.000 0.482 157 T N 2.022 116.492 114.554 -0.141 0.000 2.916 157 T HA 0.234 4.582 4.350 -0.002 0.000 0.303 157 T C -1.530 173.146 174.700 -0.039 0.000 1.025 157 T CA -0.623 61.436 62.100 -0.070 0.000 1.142 157 T CB 1.088 69.926 68.868 -0.049 0.000 0.947 157 T HN 0.104 nan 8.240 nan 0.000 0.544 158 P HA -0.101 nan 4.420 nan 0.000 0.216 158 P C 1.565 178.870 177.300 0.009 0.000 1.150 158 P CA 0.853 63.953 63.100 0.000 0.000 0.837 158 P CB 0.047 31.750 31.700 0.005 0.000 0.786 159 S N -2.078 113.627 115.700 0.008 0.000 2.562 159 S HA 0.038 4.507 4.470 -0.002 0.000 0.221 159 S C 0.767 175.378 174.600 0.019 0.000 0.975 159 S CA -0.046 58.164 58.200 0.017 0.000 0.918 159 S CB -0.947 62.262 63.200 0.016 0.000 0.772 159 S HN -0.138 nan 8.310 nan 0.000 0.531 160 V N 4.000 123.920 119.914 0.009 0.000 2.389 160 V HA 0.420 4.538 4.120 -0.002 0.000 0.264 160 V C 0.298 176.405 176.094 0.022 0.000 1.049 160 V CA -0.404 61.903 62.300 0.011 0.000 0.932 160 V CB 0.104 31.922 31.823 -0.008 0.000 1.011 160 V HN 0.344 nan 8.190 nan 0.000 0.475 165 F N 5.507 125.396 119.950 -0.102 0.000 2.388 165 F HA 0.656 5.182 4.527 -0.002 0.000 0.358 165 F C 0.254 176.116 175.800 0.103 0.000 1.122 165 F CA -1.130 56.863 58.000 -0.012 0.000 1.056 165 F CB 0.916 39.861 39.000 -0.091 0.000 1.155 165 F HN 0.502 nan 8.300 nan 0.000 0.461 166 C N 5.924 125.225 119.300 0.001 0.000 2.349 166 C HA 0.373 4.831 4.460 -0.002 0.000 0.348 166 C C 0.105 174.959 174.990 -0.226 0.000 1.223 166 C CA -0.528 58.464 59.018 -0.043 0.000 1.746 166 C CB -1.085 26.585 27.740 -0.117 0.000 2.360 166 C HN 0.726 nan 8.230 nan 0.000 0.533 167 N N 4.265 122.794 118.700 -0.284 0.000 2.648 167 N HA 0.387 5.126 4.740 -0.002 0.000 0.261 167 N C -3.042 172.418 175.510 -0.084 0.000 1.138 167 N CA -1.248 51.666 53.050 -0.226 0.000 0.804 167 N CB 1.360 39.522 38.487 -0.541 0.000 1.237 167 N HN 0.231 nan 8.380 nan 0.000 0.532 168 P HA 0.129 nan 4.420 nan 0.000 0.274 168 P C -0.788 176.436 177.300 -0.126 0.000 1.237 168 P CA -0.017 63.007 63.100 -0.128 0.000 0.793 168 P CB 0.475 32.063 31.700 -0.187 0.000 0.977 169 H N 1.580 120.509 119.070 -0.235 0.000 2.742 169 H HA 0.273 4.828 4.556 -0.002 0.000 0.302 169 H C 0.022 175.102 175.328 -0.413 0.000 1.069 169 H CA -0.028 55.897 56.048 -0.204 0.000 1.446 169 H CB -0.046 29.640 29.762 -0.126 0.000 1.462 169 H HN 0.206 nan 8.280 nan 0.000 0.499 170 N N 6.225 124.509 118.700 -0.694 0.000 2.408 170 N HA 0.226 4.965 4.740 -0.002 0.000 0.280 170 N C -2.462 172.573 175.510 -0.791 0.000 1.002 170 N CA -2.318 50.285 53.050 -0.745 0.000 0.907 170 N CB 1.915 39.950 38.487 -0.753 0.000 1.161 170 N HN 0.360 nan 8.380 nan 0.000 0.488 171 P HA 0.143 nan 4.420 nan 0.000 0.275 171 P C 1.055 177.766 177.300 -0.983 0.000 1.310 171 P CA 0.085 62.540 63.100 -1.076 0.000 0.904 171 P CB 0.034 30.694 31.700 -1.733 0.000 1.381 172 I N -3.525 116.517 120.570 -0.880 0.000 2.928 172 I HA 0.276 4.444 4.170 -0.002 0.000 0.266 172 I C 1.067 177.016 176.117 -0.279 0.000 1.234 172 I CA 0.878 61.781 61.300 -0.663 0.000 1.483 172 I CB -1.242 36.356 38.000 -0.669 0.000 1.097 172 I HN -0.016 nan 8.210 nan 0.000 0.455 173 G N 1.536 110.152 108.800 -0.306 0.000 2.289 173 G HA2 -0.334 3.624 3.960 -0.002 0.000 0.280 173 G HA3 -0.334 3.624 3.960 -0.002 0.000 0.280 173 G C -0.400 174.399 174.900 -0.167 0.000 1.089 173 G CA 0.314 45.270 45.100 -0.240 0.000 0.939 173 G HN 0.651 nan 8.290 nan 0.000 0.499 174 Y N 0.473 120.551 120.300 -0.371 0.000 2.328 174 Y HA 0.622 5.170 4.550 -0.002 0.000 0.333 174 Y C 0.163 175.744 175.900 -0.532 0.000 0.958 174 Y CA -1.094 56.729 58.100 -0.462 0.000 1.167 174 Y CB 1.288 39.365 38.460 -0.638 0.000 1.151 174 Y HN 0.729 nan 8.280 nan 0.000 0.470 175 A N 6.732 129.005 122.820 -0.912 0.000 2.343 175 A HA 0.330 4.648 4.320 -0.002 0.000 0.305 175 A C -0.980 175.966 177.584 -1.064 0.000 1.308 175 A CA -0.521 51.072 52.037 -0.741 0.000 0.949 175 A CB -0.445 18.330 19.000 -0.376 0.000 1.148 175 A HN 0.847 nan 8.150 nan 0.000 0.545 176 W N 2.467 123.377 121.300 -0.650 0.000 2.170 176 W HA 0.310 4.969 4.660 -0.003 0.000 0.342 176 W C 1.251 177.673 176.519 -0.162 0.000 1.294 176 W CA 0.652 57.791 57.345 -0.343 0.000 1.246 176 W CB 0.520 30.041 29.460 0.102 0.000 1.156 176 W HN 0.811 nan 8.180 nan 0.000 0.572 177 S N 0.543 116.386 115.700 0.238 0.000 2.600 177 S HA 0.014 4.482 4.470 -0.002 0.000 0.265 177 S C 1.095 175.792 174.600 0.162 0.000 1.325 177 S CA -0.122 58.175 58.200 0.162 0.000 1.002 177 S CB 1.232 64.541 63.200 0.182 0.000 0.921 177 S HN 0.710 nan 8.310 nan 0.000 0.554 178 E N 0.515 120.768 120.200 0.088 0.000 2.085 178 E HA -0.259 4.090 4.350 -0.002 0.000 0.194 178 E C 1.928 178.560 176.600 0.053 0.000 0.994 178 E CA 1.564 57.996 56.400 0.053 0.000 0.801 178 E CB -0.245 29.468 29.700 0.023 0.000 0.743 178 E HN 0.885 nan 8.360 nan 0.000 0.453 179 E N 0.193 120.427 120.200 0.058 0.000 2.077 179 E HA -0.240 4.108 4.350 -0.002 0.000 0.193 179 E C 1.896 178.517 176.600 0.036 0.000 0.989 179 E CA 1.383 57.797 56.400 0.023 0.000 0.800 179 E CB 0.058 29.768 29.700 0.016 0.000 0.746 179 E HN 0.337 nan 8.360 nan 0.000 0.452 180 E N -0.208 120.092 120.200 0.167 0.000 2.051 180 E HA -0.172 4.176 4.350 -0.002 0.000 0.192 180 E C 2.193 178.889 176.600 0.160 0.000 0.991 180 E CA 1.444 58.023 56.400 0.299 0.000 0.799 180 E CB 0.092 30.160 29.700 0.613 0.000 0.748 180 E HN 0.137 nan 8.360 nan 0.000 0.449 181 V N 1.566 121.567 119.914 0.145 0.000 2.295 181 V HA -0.272 3.847 4.120 -0.002 0.000 0.246 181 V C 2.088 178.145 176.094 -0.062 0.000 1.049 181 V CA 1.777 64.104 62.300 0.045 0.000 1.024 181 V CB -0.406 31.496 31.823 0.130 0.000 0.648 181 V HN 0.195 nan 8.190 nan 0.000 0.447 182 K N -0.201 120.174 120.400 -0.042 0.000 2.057 182 K HA -0.208 4.110 4.320 -0.002 0.000 0.207 182 K C 2.406 178.939 176.600 -0.111 0.000 1.049 182 K CA 1.576 57.817 56.287 -0.076 0.000 0.931 182 K CB -0.252 32.211 32.500 -0.061 0.000 0.714 182 K HN 0.320 nan 8.250 nan 0.000 0.440 183 R N 1.225 121.649 120.500 -0.127 0.000 2.075 183 R HA -0.083 4.256 4.340 -0.002 0.000 0.232 183 R C 2.227 178.451 176.300 -0.127 0.000 1.126 183 R CA 1.196 57.185 56.100 -0.185 0.000 0.963 183 R CB -0.200 29.871 30.300 -0.382 0.000 0.858 183 R HN 0.117 nan 8.270 nan 0.000 0.435 184 I N 0.799 121.300 120.570 -0.115 0.000 2.226 184 I HA -0.259 3.909 4.170 -0.002 0.000 0.245 184 I C 2.544 178.521 176.117 -0.233 0.000 1.100 184 I CA 1.388 62.561 61.300 -0.211 0.000 1.374 184 I CB -0.328 37.306 38.000 -0.609 0.000 1.057 184 I HN 0.306 nan 8.210 nan 0.000 0.413 185 A N 0.067 122.756 122.820 -0.219 0.000 1.933 185 A HA -0.261 4.058 4.320 -0.002 0.000 0.218 185 A C 2.205 179.704 177.584 -0.142 0.000 1.175 185 A CA 2.004 53.945 52.037 -0.160 0.000 0.628 185 A CB -0.517 18.409 19.000 -0.123 0.000 0.814 185 A HN 0.417 nan 8.150 nan 0.000 0.444 186 E N -0.139 119.978 120.200 -0.140 0.000 2.152 186 E HA -0.045 4.304 4.350 -0.002 0.000 0.192 186 E C 1.844 178.339 176.600 -0.175 0.000 0.983 186 E CA 0.746 57.057 56.400 -0.148 0.000 0.818 186 E CB -0.250 29.372 29.700 -0.131 0.000 0.758 186 E HN 0.616 nan 8.360 nan 0.000 0.467 187 L N -0.487 120.660 121.223 -0.126 0.000 2.027 187 L HA -0.207 4.131 4.340 -0.002 0.000 0.206 187 L C 2.453 179.280 176.870 -0.073 0.000 1.074 187 L CA 0.966 55.772 54.840 -0.056 0.000 0.745 187 L CB -0.388 41.692 42.059 0.035 0.000 0.898 187 L HN 0.346 nan 8.230 nan 0.000 0.433 188 C N -0.366 118.860 119.300 -0.122 0.000 2.462 188 C HA -0.128 4.331 4.460 -0.002 0.000 0.278 188 C C 3.149 177.941 174.990 -0.330 0.000 1.253 188 C CA 0.665 59.598 59.018 -0.143 0.000 1.713 188 C CB -1.025 26.650 27.740 -0.110 0.000 2.049 188 C HN 0.622 nan 8.230 nan 0.000 0.477 189 A N 0.866 123.425 122.820 -0.434 0.000 1.883 189 A HA -0.285 4.033 4.320 -0.002 0.000 0.217 189 A C 2.190 179.232 177.584 -0.904 0.000 1.186 189 A CA 2.313 53.790 52.037 -0.934 0.000 0.624 189 A CB -0.713 17.951 19.000 -0.561 0.000 0.822 189 A HN 0.727 nan 8.150 nan 0.000 0.444 190 K N -1.427 118.628 120.400 -0.574 0.000 2.152 190 K HA -0.210 4.109 4.320 -0.002 0.000 0.206 190 K C 1.177 177.387 176.600 -0.651 0.000 1.048 190 K CA 1.666 57.611 56.287 -0.570 0.000 0.933 190 K CB -0.243 31.916 32.500 -0.567 0.000 0.721 190 K HN 0.630 nan 8.250 nan 0.000 0.447 191 H N 0.525 119.401 119.070 -0.324 0.000 2.529 191 H HA 0.135 4.689 4.556 -0.003 0.000 0.277 191 H C -0.077 175.074 175.328 -0.294 0.000 1.004 191 H CA 0.384 56.285 56.048 -0.245 0.000 1.167 191 H CB 0.454 30.119 29.762 -0.161 0.000 1.445 191 H HN 0.319 nan 8.280 nan 0.000 0.554 192 Q N -0.349 119.143 119.800 -0.512 0.000 2.494 192 Q HA -0.127 4.211 4.340 -0.002 0.000 0.272 192 Q C -0.685 175.218 176.000 -0.162 0.000 1.145 192 Q CA 0.263 55.695 55.803 -0.619 0.000 0.943 192 Q CB -1.701 26.939 28.738 -0.163 0.000 1.338 192 Q HN 0.082 nan 8.270 nan 0.000 0.492 193 V N 1.207 121.020 119.914 -0.167 0.000 2.435 193 V HA 0.357 4.476 4.120 -0.002 0.000 0.290 193 V C 0.601 176.787 176.094 0.153 0.000 1.030 193 V CA -0.639 61.682 62.300 0.035 0.000 0.881 193 V CB 1.594 33.414 31.823 -0.006 0.000 0.983 193 V HN 0.230 nan 8.190 nan 0.000 0.445 194 L N 5.001 126.344 121.223 0.199 0.000 2.367 194 L HA 0.303 4.641 4.340 -0.002 0.000 0.275 194 L C -0.251 176.673 176.870 0.090 0.000 1.129 194 L CA -0.320 54.622 54.840 0.170 0.000 0.839 194 L CB 0.955 43.051 42.059 0.063 0.000 1.133 194 L HN 0.470 nan 8.230 nan 0.000 0.453 195 L N 5.821 127.090 121.223 0.077 0.000 2.255 195 L HA 0.385 4.724 4.340 -0.002 0.000 0.289 195 L C -0.383 176.524 176.870 0.062 0.000 1.046 195 L CA 0.009 54.870 54.840 0.035 0.000 0.816 195 L CB 0.612 42.664 42.059 -0.013 0.000 1.197 195 L HN 0.292 nan 8.230 nan 0.000 0.427 196 I N 4.329 124.939 120.570 0.066 0.000 2.306 196 I HA 0.233 4.401 4.170 -0.002 0.000 0.288 196 I C 0.348 176.523 176.117 0.097 0.000 1.036 196 I CA -0.068 61.274 61.300 0.070 0.000 1.221 196 I CB 0.701 38.721 38.000 0.034 0.000 1.385 196 I HN 0.601 nan 8.210 nan 0.000 0.472 197 S N 5.205 120.985 115.700 0.133 0.000 2.423 197 S HA 0.175 4.644 4.470 -0.002 0.000 0.317 197 S C -0.235 174.415 174.600 0.084 0.000 1.065 197 S CA -0.586 57.712 58.200 0.164 0.000 1.111 197 S CB 0.179 63.508 63.200 0.216 0.000 0.968 197 S HN 0.520 nan 8.310 nan 0.000 0.474 198 D N 4.125 124.556 120.400 0.052 0.000 2.393 198 D HA 0.145 4.784 4.640 -0.002 0.000 0.232 198 D C 0.200 176.521 176.300 0.035 0.000 1.192 198 D CA -0.126 53.919 54.000 0.076 0.000 0.882 198 D CB 0.681 41.598 40.800 0.194 0.000 1.038 198 D HN 0.652 nan 8.370 nan 0.000 0.499 199 E N 3.482 123.703 120.200 0.036 0.000 2.496 199 E HA 0.123 4.472 4.350 -0.002 0.000 0.202 199 E C 1.495 178.101 176.600 0.011 0.000 1.021 199 E CA -0.237 56.173 56.400 0.016 0.000 1.015 199 E CB 0.567 30.290 29.700 0.038 0.000 1.102 199 E HN 0.567 nan 8.360 nan 0.000 0.452 200 I N 0.833 121.382 120.570 -0.035 0.000 2.493 200 I HA -0.226 3.942 4.170 -0.002 0.000 0.254 200 I C 1.247 177.209 176.117 -0.259 0.000 1.160 200 I CA 1.101 62.315 61.300 -0.143 0.000 1.445 200 I CB 0.159 38.016 38.000 -0.239 0.000 1.086 200 I HN 0.330 nan 8.210 nan 0.000 0.433 201 H N -0.417 118.594 119.070 -0.097 0.000 2.524 201 H HA 0.185 4.740 4.556 -0.002 0.000 0.280 201 H C 1.928 177.220 175.328 -0.060 0.000 1.018 201 H CA 0.653 56.634 56.048 -0.112 0.000 1.165 201 H CB 0.179 29.821 29.762 -0.199 0.000 1.411 201 H HN 0.401 nan 8.280 nan 0.000 0.569 202 G N 0.571 109.399 108.800 0.047 0.000 2.471 202 G HA2 -0.176 3.782 3.960 -0.002 0.000 0.219 202 G HA3 -0.176 3.782 3.960 -0.002 0.000 0.219 202 G C 1.071 176.030 174.900 0.098 0.000 1.125 202 G CA 0.290 45.386 45.100 -0.006 0.000 0.775 202 G HN 0.301 nan 8.290 nan 0.000 0.548 203 D N 0.064 120.613 120.400 0.249 0.000 2.340 203 D HA 0.083 4.722 4.640 -0.002 0.000 0.220 203 D C 1.512 177.944 176.300 0.221 0.000 1.039 203 D CA 0.145 54.384 54.000 0.397 0.000 0.866 203 D CB 0.456 41.557 40.800 0.502 0.000 0.913 203 D HN 0.302 nan 8.370 nan 0.000 0.523 204 L N 0.999 122.304 121.223 0.136 0.000 2.984 204 L HA 0.179 4.517 4.340 -0.002 0.000 0.246 204 L C -0.050 176.834 176.870 0.024 0.000 1.268 204 L CA -0.242 54.652 54.840 0.090 0.000 1.054 204 L CB 0.877 43.007 42.059 0.118 0.000 1.393 204 L HN -0.292 nan 8.230 nan 0.000 0.532 205 V N 1.421 121.348 119.914 0.022 0.000 2.521 205 V HA -0.017 4.102 4.120 -0.002 0.000 0.286 205 V C 1.319 177.389 176.094 -0.041 0.000 1.034 205 V CA 0.313 62.593 62.300 -0.035 0.000 1.045 205 V CB 1.404 33.211 31.823 -0.028 0.000 0.974 205 V HN 0.413 nan 8.190 nan 0.000 0.480 206 L N 3.734 124.904 121.223 -0.090 0.000 2.554 206 L HA 0.101 4.440 4.340 -0.002 0.000 0.225 206 L C 1.484 178.309 176.870 -0.076 0.000 1.104 206 L CA 0.361 55.145 54.840 -0.094 0.000 0.866 206 L CB 0.004 41.964 42.059 -0.166 0.000 1.047 206 L HN 0.882 nan 8.230 nan 0.000 0.468 207 T N -4.444 110.067 114.554 -0.072 0.000 2.867 207 T HA 0.243 4.591 4.350 -0.002 0.000 0.286 207 T C 0.971 175.651 174.700 -0.034 0.000 1.022 207 T CA 0.192 62.263 62.100 -0.049 0.000 0.933 207 T CB 0.819 69.659 68.868 -0.048 0.000 1.280 207 T HN 0.124 nan 8.240 nan 0.000 0.566 208 D N -0.905 119.481 120.400 -0.024 0.000 2.355 208 D HA 0.161 4.799 4.640 -0.002 0.000 0.218 208 D C 0.777 177.068 176.300 -0.014 0.000 1.004 208 D CA 0.184 54.174 54.000 -0.017 0.000 0.880 208 D CB -0.477 40.316 40.800 -0.012 0.000 0.911 208 D HN 0.756 nan 8.370 nan 0.000 0.528 209 E N -0.241 119.946 120.200 -0.022 0.000 2.392 209 E HA 0.477 4.826 4.350 -0.002 0.000 0.256 209 E C -0.699 175.890 176.600 -0.018 0.000 1.145 209 E CA -0.261 56.125 56.400 -0.024 0.000 0.929 209 E CB 1.023 30.697 29.700 -0.044 0.000 0.998 209 E HN 0.382 nan 8.360 nan 0.000 0.442 210 D N -0.483 119.909 120.400 -0.014 0.000 2.610 210 D HA 0.308 4.946 4.640 -0.002 0.000 0.271 210 D C -1.069 175.211 176.300 -0.034 0.000 1.174 210 D CA -0.738 53.271 54.000 0.015 0.000 0.949 210 D CB 0.975 41.816 40.800 0.068 0.000 1.430 210 D HN 0.414 nan 8.370 nan 0.000 0.467 211 I N -1.542 118.985 120.570 -0.071 0.000 2.764 211 I HA 0.514 4.683 4.170 -0.002 0.000 0.294 211 I C -0.314 175.738 176.117 -0.107 0.000 1.045 211 I CA -0.320 60.901 61.300 -0.131 0.000 1.340 211 I CB 1.410 39.260 38.000 -0.250 0.000 1.436 211 I HN 0.093 nan 8.210 nan 0.000 0.567 212 T N 5.019 119.525 114.554 -0.079 0.000 2.821 212 T HA 0.409 4.758 4.350 -0.002 0.000 0.307 212 T C -2.429 172.182 174.700 -0.148 0.000 1.034 212 T CA -1.043 61.001 62.100 -0.093 0.000 0.953 212 T CB 0.920 69.773 68.868 -0.026 0.000 0.968 212 T HN 0.479 nan 8.240 nan 0.000 0.462 213 P HA 0.233 nan 4.420 nan 0.000 0.271 213 P C 0.601 177.673 177.300 -0.381 0.000 1.216 213 P CA -0.282 62.568 63.100 -0.416 0.000 0.776 213 P CB 0.605 31.761 31.700 -0.906 0.000 0.881 214 A N 3.545 126.266 122.820 -0.164 0.000 1.978 214 A HA -0.204 4.114 4.320 -0.002 0.000 0.220 214 A C 1.646 179.156 177.584 -0.123 0.000 1.170 214 A CA 1.627 53.618 52.037 -0.077 0.000 0.636 214 A CB -1.643 17.386 19.000 0.050 0.000 0.810 214 A HN 0.705 nan 8.150 nan 0.000 0.448 215 F N 0.995 120.926 119.950 -0.031 0.000 2.494 215 F HA -0.050 4.476 4.527 -0.002 0.000 0.298 215 F C 1.928 177.681 175.800 -0.078 0.000 1.106 215 F CA 1.491 59.428 58.000 -0.104 0.000 1.452 215 F CB -1.641 37.368 39.000 0.015 0.000 1.085 215 F HN 0.168 nan 8.300 nan 0.000 0.569 216 T N -0.985 113.413 114.554 -0.261 0.000 3.113 216 T HA 0.142 4.491 4.350 -0.002 0.000 0.256 216 T C 0.788 175.422 174.700 -0.110 0.000 1.131 216 T CA 0.290 62.322 62.100 -0.113 0.000 1.074 216 T CB -1.339 67.415 68.868 -0.190 0.000 0.944 216 T HN 0.336 nan 8.240 nan 0.000 0.516 217 V N 0.406 120.228 119.914 -0.154 0.000 2.963 217 V HA 0.320 4.439 4.120 -0.002 0.000 0.306 217 V C -0.150 175.829 176.094 -0.192 0.000 1.077 217 V CA -1.258 60.957 62.300 -0.142 0.000 1.124 217 V CB 0.214 31.959 31.823 -0.130 0.000 0.987 217 V HN 0.138 nan 8.190 nan 0.000 0.487 218 D N 2.285 122.614 120.400 -0.119 0.000 2.368 218 D HA 0.213 4.851 4.640 -0.002 0.000 0.240 218 D C -0.075 176.168 176.300 -0.096 0.000 1.169 218 D CA 0.199 54.146 54.000 -0.087 0.000 0.906 218 D CB 0.341 41.149 40.800 0.013 0.000 1.187 218 D HN 0.764 nan 8.370 nan 0.000 0.435 219 W N -0.486 120.838 121.300 0.039 0.000 2.137 219 W HA 0.309 4.967 4.660 -0.003 0.000 0.344 219 W C 1.593 178.129 176.519 0.030 0.000 1.286 219 W CA 0.075 57.441 57.345 0.036 0.000 1.240 219 W CB 0.247 29.730 29.460 0.038 0.000 1.141 219 W HN 0.534 nan 8.180 nan 0.000 0.579 220 D N 1.113 121.676 120.400 0.272 0.000 2.350 220 D HA 0.195 4.834 4.640 -0.002 0.000 0.213 220 D C 1.745 178.236 176.300 0.319 0.000 1.031 220 D CA 0.677 54.892 54.000 0.359 0.000 0.861 220 D CB 0.045 41.001 40.800 0.260 0.000 0.926 220 D HN 0.526 nan 8.370 nan 0.000 0.520 221 A N 0.601 123.516 122.820 0.157 0.000 2.024 221 A HA -0.112 4.207 4.320 -0.002 0.000 0.220 221 A C 2.072 179.712 177.584 0.094 0.000 1.164 221 A CA 1.854 53.958 52.037 0.112 0.000 0.643 221 A CB -0.407 18.580 19.000 -0.022 0.000 0.806 221 A HN 0.391 nan 8.150 nan 0.000 0.451 222 K N -0.197 120.144 120.400 -0.099 0.000 2.211 222 K HA -0.135 4.184 4.320 -0.002 0.000 0.204 222 K C 0.913 177.343 176.600 -0.283 0.000 1.047 222 K CA 1.151 57.196 56.287 -0.403 0.000 0.935 222 K CB -0.156 31.658 32.500 -1.145 0.000 0.728 222 K HN 0.397 nan 8.250 nan 0.000 0.452 223 N N -0.569 118.143 118.700 0.020 0.000 2.521 223 N HA -0.085 4.653 4.740 -0.002 0.000 0.188 223 N C -0.122 175.174 175.510 -0.356 0.000 1.146 223 N CA 0.647 53.668 53.050 -0.048 0.000 0.893 223 N CB 0.135 38.643 38.487 0.035 0.000 0.975 223 N HN 0.293 nan 8.380 nan 0.000 0.451 224 W N 0.359 121.594 121.300 -0.108 0.000 2.846 224 W HA 0.254 4.913 4.660 -0.002 0.000 0.391 224 W C 0.286 176.730 176.519 -0.127 0.000 1.011 224 W CA -0.377 56.898 57.345 -0.117 0.000 1.832 224 W CB 0.229 29.633 29.460 -0.093 0.000 1.151 224 W HN -0.291 nan 8.180 nan 0.000 0.582 225 V N -1.226 118.685 119.914 -0.005 0.000 2.864 225 V HA 0.889 5.007 4.120 -0.002 0.000 0.314 225 V C -0.745 175.325 176.094 -0.039 0.000 1.073 225 V CA -1.260 61.032 62.300 -0.012 0.000 0.956 225 V CB 2.041 33.846 31.823 -0.030 0.000 1.023 225 V HN -0.292 nan 8.190 nan 0.000 0.435 226 V N 2.484 122.414 119.914 0.025 0.000 2.623 226 V HA 0.553 4.672 4.120 -0.002 0.000 0.304 226 V C 0.012 176.175 176.094 0.115 0.000 1.054 226 V CA -0.164 62.175 62.300 0.065 0.000 0.882 226 V CB 1.893 33.774 31.823 0.098 0.000 1.002 226 V HN 1.044 nan 8.190 nan 0.000 0.424 227 S N 5.485 121.282 115.700 0.162 0.000 2.462 227 S HA 0.732 5.200 4.470 -0.002 0.000 0.294 227 S C -0.521 174.190 174.600 0.186 0.000 1.144 227 S CA -0.464 57.860 58.200 0.207 0.000 1.088 227 S CB 0.895 64.323 63.200 0.381 0.000 1.009 227 S HN 0.520 nan 8.310 nan 0.000 0.484 228 L N 5.117 126.427 121.223 0.145 0.000 2.325 228 L HA 0.666 5.005 4.340 -0.002 0.000 0.281 228 L C -0.238 176.697 176.870 0.109 0.000 1.004 228 L CA -0.608 54.302 54.840 0.115 0.000 0.823 228 L CB 1.030 43.137 42.059 0.079 0.000 1.236 228 L HN 0.635 nan 8.230 nan 0.000 0.415 229 I N -0.065 120.578 120.570 0.122 0.000 3.002 229 I HA 0.909 5.078 4.170 -0.002 0.000 0.310 229 I C -0.531 175.663 176.117 0.128 0.000 1.087 229 I CA -0.500 60.882 61.300 0.136 0.000 1.017 229 I CB 2.409 40.525 38.000 0.192 0.000 1.226 229 I HN 0.529 nan 8.210 nan 0.000 0.443 230 S N 1.843 117.634 115.700 0.152 0.000 2.552 230 S HA 0.539 5.008 4.470 -0.002 0.000 0.272 230 S C -2.553 172.113 174.600 0.109 0.000 1.150 230 S CA -0.827 57.444 58.200 0.117 0.000 0.849 230 S CB 2.033 65.242 63.200 0.015 0.000 1.113 230 S HN 0.638 nan 8.310 nan 0.000 0.458 231 P HA 0.104 nan 4.420 nan 0.000 0.245 231 P C 0.851 178.181 177.300 0.050 0.000 1.212 231 P CA 0.218 63.285 63.100 -0.054 0.000 0.774 231 P CB -0.200 31.279 31.700 -0.369 0.000 0.999 235 F N 1.967 121.970 119.950 0.087 0.000 2.661 235 F HA 0.507 5.036 4.527 0.003 0.000 0.306 235 F C 0.902 176.649 175.800 -0.088 0.000 1.094 235 F CA -0.611 57.342 58.000 -0.078 0.000 1.254 235 F CB 0.265 39.080 39.000 -0.309 0.000 1.040 235 F HN 0.067 nan 8.300 nan 0.000 0.562 236 N N 1.390 120.189 118.700 0.166 0.000 2.771 236 N HA -0.193 4.545 4.740 -0.002 0.000 0.249 236 N C -0.681 174.854 175.510 0.041 0.000 1.069 236 N CA 0.392 53.511 53.050 0.116 0.000 0.688 236 N CB -1.358 37.214 38.487 0.143 0.000 0.928 236 N HN 0.392 nan 8.380 nan 0.000 0.551 237 L N -0.745 120.499 121.223 0.034 0.000 3.255 237 L HA 0.442 4.781 4.340 -0.002 0.000 0.293 237 L C 1.641 178.515 176.870 0.007 0.000 1.302 237 L CA 0.261 55.094 54.840 -0.011 0.000 0.977 237 L CB 0.097 42.128 42.059 -0.047 0.000 1.390 237 L HN 0.280 nan 8.230 nan 0.000 0.588 238 A N 0.579 123.414 122.820 0.026 0.000 1.978 238 A HA -0.105 4.213 4.320 -0.002 0.000 0.220 238 A C 2.201 179.842 177.584 0.095 0.000 1.170 238 A CA 1.931 53.999 52.037 0.053 0.000 0.636 238 A CB -0.073 18.954 19.000 0.046 0.000 0.810 238 A HN 0.472 nan 8.150 nan 0.000 0.448 239 A N -1.249 121.573 122.820 0.004 0.000 2.251 239 A HA 0.365 4.684 4.320 -0.002 0.000 0.209 239 A C 1.748 179.168 177.584 -0.272 0.000 1.187 239 A CA 0.697 52.651 52.037 -0.138 0.000 0.823 239 A CB -0.402 18.513 19.000 -0.141 0.000 0.846 239 A HN 0.526 nan 8.150 nan 0.000 0.486 240 L N -0.359 120.807 121.223 -0.095 0.000 2.141 240 L HA -0.056 4.283 4.340 -0.002 0.000 0.209 240 L C 0.686 177.566 176.870 0.018 0.000 1.094 240 L CA 1.828 56.618 54.840 -0.083 0.000 0.763 240 L CB -0.886 41.140 42.059 -0.055 0.000 0.908 240 L HN 0.676 nan 8.230 nan 0.000 0.437 241 H N -1.520 117.533 119.070 -0.028 0.000 2.750 241 H HA -0.104 4.452 4.556 -0.000 0.000 0.327 241 H C 0.006 175.335 175.328 0.001 0.000 1.199 241 H CA -0.073 55.957 56.048 -0.030 0.000 1.149 241 H CB -1.629 28.121 29.762 -0.020 0.000 1.543 241 H HN 0.541 nan 8.280 nan 0.000 0.427 242 A N 0.975 123.849 122.820 0.091 0.000 2.343 242 A HA 0.887 5.206 4.320 -0.002 0.000 0.308 242 A C -0.367 177.188 177.584 -0.048 0.000 1.092 242 A CA 0.278 52.363 52.037 0.079 0.000 0.751 242 A CB 1.695 20.833 19.000 0.230 0.000 1.203 242 A HN 0.687 nan 8.150 nan 0.000 0.452 243 A N 0.407 123.077 122.820 -0.251 0.000 2.583 243 A HA 0.828 5.146 4.320 -0.002 0.000 0.289 243 A C -1.119 176.424 177.584 -0.069 0.000 1.151 243 A CA -0.315 51.647 52.037 -0.124 0.000 0.695 243 A CB 1.075 19.954 19.000 -0.203 0.000 1.290 243 A HN 2.025 nan 8.150 nan 0.000 0.419 244 C N 0.428 119.769 119.300 0.067 0.000 2.551 244 C HA 0.772 5.231 4.460 -0.002 0.000 0.332 244 C C 0.149 175.229 174.990 0.150 0.000 1.139 244 C CA 0.259 59.391 59.018 0.189 0.000 1.328 244 C CB 0.192 28.109 27.740 0.296 0.000 1.903 244 C HN 1.596 nan 8.230 nan 0.000 0.459 245 A N 6.005 128.941 122.820 0.193 0.000 2.301 245 A HA 0.777 5.096 4.320 -0.002 0.000 0.298 245 A C -0.596 177.112 177.584 0.205 0.000 1.185 245 A CA -0.294 51.876 52.037 0.222 0.000 0.830 245 A CB 0.271 19.478 19.000 0.345 0.000 1.112 245 A HN 0.850 nan 8.150 nan 0.000 0.508 246 I N 3.392 124.064 120.570 0.170 0.000 2.382 246 I HA 0.351 4.520 4.170 -0.002 0.000 0.285 246 I C -0.873 175.290 176.117 0.077 0.000 1.007 246 I CA 0.091 61.467 61.300 0.128 0.000 1.142 246 I CB 1.031 39.066 38.000 0.059 0.000 1.289 246 I HN 0.475 nan 8.210 nan 0.000 0.453 247 I N 8.177 128.757 120.570 0.016 0.000 2.521 247 I HA 0.262 4.431 4.170 -0.002 0.000 0.277 247 I C -1.995 173.921 176.117 -0.334 0.000 1.054 247 I CA -1.457 59.777 61.300 -0.110 0.000 1.117 247 I CB 1.915 39.899 38.000 -0.026 0.000 1.217 247 I HN 0.262 nan 8.210 nan 0.000 0.469 248 P HA -0.119 nan 4.420 nan 0.000 0.217 248 P C 0.431 177.496 177.300 -0.392 0.000 1.150 248 P CA 1.009 63.363 63.100 -1.244 0.000 0.832 248 P CB 0.090 30.909 31.700 -1.468 0.000 0.787 249 N N 0.273 118.836 118.700 -0.229 0.000 2.438 249 N HA -0.003 4.735 4.740 -0.002 0.000 0.267 249 N C -1.711 173.748 175.510 -0.084 0.000 1.222 249 N CA -1.383 51.609 53.050 -0.097 0.000 0.930 249 N CB 0.544 38.916 38.487 -0.191 0.000 1.083 249 N HN -0.042 nan 8.380 nan 0.000 0.476 250 P HA -0.036 nan 4.420 nan 0.000 0.219 250 P C 0.575 177.860 177.300 -0.026 0.000 1.150 250 P CA 0.888 63.988 63.100 0.000 0.000 0.814 250 P CB 0.411 32.128 31.700 0.028 0.000 0.787 251 D N -1.082 119.284 120.400 -0.058 0.000 2.137 251 D HA -0.104 4.535 4.640 -0.002 0.000 0.202 251 D C 1.799 178.058 176.300 -0.068 0.000 0.970 251 D CA 0.497 54.461 54.000 -0.060 0.000 0.837 251 D CB -0.629 40.122 40.800 -0.081 0.000 0.981 251 D HN -0.158 nan 8.370 nan 0.000 0.475 252 L N 0.872 122.016 121.223 -0.133 0.000 2.042 252 L HA -0.084 4.255 4.340 -0.002 0.000 0.210 252 L C 2.331 179.179 176.870 -0.037 0.000 1.076 252 L CA 1.656 56.393 54.840 -0.171 0.000 0.749 252 L CB -0.532 41.329 42.059 -0.330 0.000 0.893 252 L HN -0.041 nan 8.230 nan 0.000 0.432 253 R N -0.733 119.742 120.500 -0.043 0.000 2.083 253 R HA -0.193 4.145 4.340 -0.002 0.000 0.237 253 R C 2.170 178.471 176.300 0.001 0.000 1.137 253 R CA 1.591 57.689 56.100 -0.004 0.000 0.951 253 R CB -0.449 29.856 30.300 0.008 0.000 0.851 253 R HN 0.488 nan 8.270 nan 0.000 0.434 254 A N 0.845 123.669 122.820 0.007 0.000 1.933 254 A HA -0.152 4.166 4.320 -0.002 0.000 0.218 254 A C 2.171 179.757 177.584 0.003 0.000 1.175 254 A CA 1.444 53.488 52.037 0.012 0.000 0.628 254 A CB -0.399 18.608 19.000 0.011 0.000 0.814 254 A HN 0.374 nan 8.150 nan 0.000 0.444 255 R N -0.530 119.989 120.500 0.031 0.000 2.075 255 R HA -0.022 4.316 4.340 -0.002 0.000 0.232 255 R C 2.504 178.779 176.300 -0.042 0.000 1.126 255 R CA 1.142 57.278 56.100 0.060 0.000 0.963 255 R CB -0.455 29.976 30.300 0.219 0.000 0.858 255 R HN 0.503 nan 8.270 nan 0.000 0.435 256 A N 1.234 124.033 122.820 -0.035 0.000 1.877 256 A HA -0.246 4.072 4.320 -0.002 0.000 0.216 256 A C 2.063 179.098 177.584 -0.916 0.000 1.186 256 A CA 1.613 53.391 52.037 -0.431 0.000 0.620 256 A CB -0.530 18.325 19.000 -0.242 0.000 0.822 256 A HN 0.424 nan 8.150 nan 0.000 0.443 257 E N -0.120 119.784 120.200 -0.494 0.000 2.070 257 E HA -0.265 4.084 4.350 -0.002 0.000 0.197 257 E C 1.923 178.539 176.600 0.027 0.000 1.004 257 E CA 1.620 57.898 56.400 -0.202 0.000 0.805 257 E CB -0.178 29.580 29.700 0.096 0.000 0.744 257 E HN 0.755 nan 8.360 nan 0.000 0.451 258 E N 0.008 120.210 120.200 0.003 0.000 2.077 258 E HA -0.184 4.165 4.350 -0.002 0.000 0.193 258 E C 2.271 178.904 176.600 0.055 0.000 0.989 258 E CA 1.420 57.868 56.400 0.079 0.000 0.800 258 E CB -0.104 29.608 29.700 0.020 0.000 0.746 258 E HN 0.323 nan 8.360 nan 0.000 0.452 259 S N 0.423 116.058 115.700 -0.109 0.000 2.402 259 S HA -0.133 4.335 4.470 -0.002 0.000 0.229 259 S C 1.825 176.477 174.600 0.087 0.000 1.021 259 S CA 0.667 58.814 58.200 -0.088 0.000 0.974 259 S CB -0.366 62.686 63.200 -0.247 0.000 0.800 259 S HN 0.093 nan 8.310 nan 0.000 0.484 260 F N 1.159 121.102 119.950 -0.011 0.000 2.146 260 F HA 0.230 4.756 4.527 -0.002 0.000 0.298 260 F C 2.053 177.787 175.800 -0.111 0.000 1.096 260 F CA -0.401 57.543 58.000 -0.093 0.000 1.275 260 F CB -1.524 37.376 39.000 -0.166 0.000 1.008 260 F HN 0.188 nan 8.300 nan 0.000 0.480 261 F N -0.335 119.737 119.950 0.204 0.000 2.134 261 F HA -0.182 4.343 4.527 -0.003 0.000 0.299 261 F C 2.375 178.229 175.800 0.089 0.000 1.097 261 F CA 0.803 58.882 58.000 0.132 0.000 1.264 261 F CB -0.799 38.257 39.000 0.093 0.000 1.001 261 F HN -0.087 nan 8.300 nan 0.000 0.479 262 L N 0.302 121.663 121.223 0.230 0.000 2.079 262 L HA -0.134 4.205 4.340 -0.002 0.000 0.210 262 L C 2.242 179.172 176.870 0.099 0.000 1.081 262 L CA 1.975 56.893 54.840 0.131 0.000 0.752 262 L CB -0.962 41.144 42.059 0.078 0.000 0.896 262 L HN 0.060 nan 8.230 nan 0.000 0.433 263 A N -1.336 121.541 122.820 0.094 0.000 2.072 263 A HA 0.366 4.685 4.320 -0.002 0.000 0.216 263 A C 1.692 179.308 177.584 0.053 0.000 1.156 263 A CA 0.735 52.808 52.037 0.061 0.000 0.701 263 A CB -0.652 18.380 19.000 0.053 0.000 0.816 263 A HN 0.883 nan 8.150 nan 0.000 0.458 264 G N -0.408 108.433 108.800 0.068 0.000 2.140 264 G HA2 -0.199 3.760 3.960 -0.002 0.000 0.211 264 G HA3 -0.199 3.760 3.960 -0.002 0.000 0.211 264 G C 0.459 175.368 174.900 0.014 0.000 1.013 264 G CA 0.320 45.456 45.100 0.060 0.000 0.705 264 G HN 1.351 nan 8.290 nan 0.000 0.508 265 I N -3.363 117.184 120.570 -0.037 0.000 4.050 265 I HA 0.582 4.750 4.170 -0.002 0.000 0.327 265 I C 1.362 177.379 176.117 -0.167 0.000 1.473 265 I CA 0.341 61.578 61.300 -0.105 0.000 1.124 265 I CB 0.537 38.430 38.000 -0.178 0.000 1.129 265 I HN 0.048 nan 8.210 nan 0.000 0.428 266 G N 0.808 109.439 108.800 -0.283 0.000 2.986 266 G HA2 0.209 4.167 3.960 -0.002 0.000 0.213 266 G HA3 0.209 4.167 3.960 -0.002 0.000 0.213 266 G C 0.260 174.936 174.900 -0.374 0.000 1.156 266 G CA -0.063 44.654 45.100 -0.639 0.000 0.763 266 G HN 0.451 nan 8.290 nan 0.000 0.547 267 E N 1.373 121.527 120.200 -0.077 0.000 2.158 267 E HA 0.305 4.654 4.350 -0.002 0.000 0.271 267 E C -2.566 174.033 176.600 -0.003 0.000 0.911 267 E CA -2.067 54.352 56.400 0.032 0.000 0.767 267 E CB 2.241 32.036 29.700 0.159 0.000 1.120 267 E HN 0.032 nan 8.360 nan 0.000 0.405 268 P HA -0.001 nan 4.420 nan 0.000 0.275 268 P C -0.685 176.546 177.300 -0.115 0.000 1.228 268 P CA -0.392 62.486 63.100 -0.370 0.000 0.786 268 P CB 0.489 31.739 31.700 -0.751 0.000 0.927 269 N N 2.004 120.686 118.700 -0.030 0.000 2.294 269 N HA 0.001 4.739 4.740 -0.002 0.000 0.248 269 N C 1.342 176.794 175.510 -0.097 0.000 1.300 269 N CA -0.515 52.505 53.050 -0.050 0.000 0.925 269 N CB -0.336 38.129 38.487 -0.037 0.000 1.188 269 N HN 0.398 nan 8.380 nan 0.000 0.512 270 L N -3.243 117.902 121.223 -0.129 0.000 2.191 270 L HA 0.018 4.357 4.340 -0.002 0.000 0.212 270 L C 1.171 177.955 176.870 -0.143 0.000 1.103 270 L CA 1.433 56.183 54.840 -0.150 0.000 0.769 270 L CB -0.486 41.348 42.059 -0.375 0.000 0.908 270 L HN 0.494 nan 8.230 nan 0.000 0.438 271 L N -0.294 120.839 121.223 -0.150 0.000 2.575 271 L HA 0.276 4.615 4.340 -0.002 0.000 0.228 271 L C 2.904 179.720 176.870 -0.090 0.000 1.075 271 L CA 0.433 55.196 54.840 -0.127 0.000 0.867 271 L CB -0.233 41.735 42.059 -0.151 0.000 1.097 271 L HN 0.222 nan 8.230 nan 0.000 0.485 272 A N 1.121 123.901 122.820 -0.067 0.000 1.892 272 A HA -0.218 4.101 4.320 -0.002 0.000 0.218 272 A C 2.102 179.688 177.584 0.004 0.000 1.188 272 A CA 1.664 53.705 52.037 0.007 0.000 0.631 272 A CB -0.387 18.673 19.000 0.100 0.000 0.822 272 A HN 0.219 nan 8.150 nan 0.000 0.447 273 I N 0.394 120.908 120.570 -0.094 0.000 2.133 273 I HA -0.112 4.057 4.170 -0.002 0.000 0.238 273 I C -0.312 175.810 176.117 0.008 0.000 1.074 273 I CA 1.206 62.465 61.300 -0.068 0.000 1.342 273 I CB -2.452 35.433 38.000 -0.191 0.000 1.053 273 I HN 0.234 nan 8.210 nan 0.000 0.404 274 P HA -0.103 nan 4.420 nan 0.000 0.217 274 P C 1.558 178.813 177.300 -0.074 0.000 1.150 274 P CA 1.959 65.036 63.100 -0.039 0.000 0.832 274 P CB 0.076 31.750 31.700 -0.044 0.000 0.787 275 A N 0.688 123.449 122.820 -0.099 0.000 1.873 275 A HA -0.016 4.302 4.320 -0.002 0.000 0.215 275 A C 2.523 179.965 177.584 -0.235 0.000 1.186 275 A CA 2.120 54.056 52.037 -0.168 0.000 0.616 275 A CB -1.552 17.350 19.000 -0.163 0.000 0.823 275 A HN 0.214 nan 8.150 nan 0.000 0.442 276 A N -0.129 122.603 122.820 -0.146 0.000 1.933 276 A HA -0.077 4.241 4.320 -0.002 0.000 0.218 276 A C 2.122 179.555 177.584 -0.252 0.000 1.175 276 A CA 1.512 53.409 52.037 -0.234 0.000 0.628 276 A CB -0.595 18.483 19.000 0.130 0.000 0.814 276 A HN 0.497 nan 8.150 nan 0.000 0.444 277 I N -0.354 120.179 120.570 -0.063 0.000 2.179 277 I HA -0.282 3.886 4.170 -0.002 0.000 0.242 277 I C 2.990 179.048 176.117 -0.099 0.000 1.088 277 I CA 1.055 62.341 61.300 -0.024 0.000 1.357 277 I CB -0.324 37.694 38.000 0.030 0.000 1.051 277 I HN 0.366 nan 8.210 nan 0.000 0.409 278 A N 0.692 123.415 122.820 -0.162 0.000 1.902 278 A HA -0.192 4.126 4.320 -0.002 0.000 0.217 278 A C 2.530 179.912 177.584 -0.337 0.000 1.181 278 A CA 1.942 53.861 52.037 -0.196 0.000 0.623 278 A CB -0.861 18.021 19.000 -0.198 0.000 0.818 278 A HN 0.443 nan 8.150 nan 0.000 0.443 279 A N -1.479 120.984 122.820 -0.594 0.000 1.877 279 A HA -0.079 4.240 4.320 -0.002 0.000 0.216 279 A C 2.054 179.135 177.584 -0.839 0.000 1.186 279 A CA 1.648 53.022 52.037 -1.106 0.000 0.620 279 A CB -0.740 17.294 19.000 -1.610 0.000 0.822 279 A HN 0.552 nan 8.150 nan 0.000 0.443 280 Y N 0.178 120.150 120.300 -0.548 0.000 2.519 280 Y HA 0.038 4.588 4.550 -0.000 0.000 0.287 280 Y C 2.603 178.539 175.900 0.060 0.000 1.128 280 Y CA 0.952 58.827 58.100 -0.375 0.000 1.282 280 Y CB -0.286 38.007 38.460 -0.278 0.000 1.027 280 Y HN 0.366 nan 8.280 nan 0.000 0.551 281 E N -0.770 119.516 120.200 0.143 0.000 2.251 281 E HA 0.024 4.373 4.350 -0.002 0.000 0.194 281 E C 1.127 177.865 176.600 0.231 0.000 0.964 281 E CA 0.758 57.284 56.400 0.210 0.000 0.868 281 E CB 0.139 29.912 29.700 0.121 0.000 0.828 281 E HN 0.632 nan 8.360 nan 0.000 0.481 282 E N -0.868 119.395 120.200 0.105 0.000 2.630 282 E HA 0.203 4.551 4.350 -0.002 0.000 0.218 282 E C 1.471 178.152 176.600 0.135 0.000 0.977 282 E CA 0.289 56.770 56.400 0.135 0.000 1.038 282 E CB 1.318 31.050 29.700 0.052 0.000 1.051 282 E HN 0.309 nan 8.360 nan 0.000 0.487 283 G N 0.158 109.004 108.800 0.076 0.000 3.042 283 G HA2 -0.103 3.855 3.960 -0.002 0.000 0.212 283 G HA3 -0.103 3.855 3.960 -0.002 0.000 0.212 283 G C 1.011 176.235 174.900 0.541 0.000 1.166 283 G CA -0.047 45.169 45.100 0.194 0.000 0.767 283 G HN 0.222 nan 8.290 nan 0.000 0.546 284 H N 1.194 120.607 119.070 0.571 0.000 2.353 284 H HA -0.070 4.485 4.556 -0.002 0.000 0.300 284 H C 1.747 177.277 175.328 0.336 0.000 1.090 284 H CA 1.512 57.825 56.048 0.441 0.000 1.327 284 H CB 0.172 30.075 29.762 0.235 0.000 1.383 284 H HN 0.262 nan 8.280 nan 0.000 0.508 285 D N -0.016 120.657 120.400 0.456 0.000 2.144 285 D HA -0.138 4.501 4.640 -0.002 0.000 0.200 285 D C 2.113 178.654 176.300 0.401 0.000 0.978 285 D CA 0.483 54.725 54.000 0.403 0.000 0.833 285 D CB -0.588 40.487 40.800 0.458 0.000 0.961 285 D HN 0.396 nan 8.370 nan 0.000 0.470 286 W N 1.494 122.836 121.300 0.070 0.000 2.358 286 W HA -0.174 4.489 4.660 0.005 0.000 0.303 286 W C 2.069 178.636 176.519 0.080 0.000 1.208 286 W CA 0.858 58.067 57.345 -0.226 0.000 1.274 286 W CB -0.349 28.811 29.460 -0.501 0.000 1.138 286 W HN -0.049 nan 8.180 nan 0.000 0.515 287 L N 1.622 123.054 121.223 0.350 0.000 2.083 287 L HA -0.117 4.222 4.340 -0.002 0.000 0.209 287 L C 2.662 179.500 176.870 -0.053 0.000 1.083 287 L CA 2.325 57.238 54.840 0.121 0.000 0.752 287 L CB -1.195 41.061 42.059 0.327 0.000 0.899 287 L HN 0.099 nan 8.230 nan 0.000 0.433 288 R N -0.371 120.159 120.500 0.049 0.000 2.083 288 R HA -0.192 4.146 4.340 -0.002 0.000 0.237 288 R C 2.136 178.368 176.300 -0.114 0.000 1.137 288 R CA 2.044 58.143 56.100 -0.003 0.000 0.951 288 R CB -0.258 30.082 30.300 0.067 0.000 0.851 288 R HN 0.551 nan 8.270 nan 0.000 0.434 289 E N 0.333 120.453 120.200 -0.133 0.000 2.106 289 E HA -0.197 4.152 4.350 -0.002 0.000 0.192 289 E C 2.025 178.169 176.600 -0.759 0.000 0.984 289 E CA 0.996 57.232 56.400 -0.273 0.000 0.806 289 E CB -0.139 29.573 29.700 0.019 0.000 0.750 289 E HN 0.222 nan 8.360 nan 0.000 0.458 290 L N 1.948 122.598 121.223 -0.956 0.000 2.012 290 L HA -0.216 4.122 4.340 -0.002 0.000 0.210 290 L C 1.917 178.419 176.870 -0.614 0.000 1.073 290 L CA 1.911 56.056 54.840 -1.159 0.000 0.748 290 L CB -0.187 41.268 42.059 -1.007 0.000 0.891 290 L HN -0.103 nan 8.230 nan 0.000 0.431 291 K N -0.918 119.269 120.400 -0.356 0.000 2.147 291 K HA -0.198 4.120 4.320 -0.002 0.000 0.205 291 K C 2.091 178.585 176.600 -0.177 0.000 1.049 291 K CA 1.748 57.925 56.287 -0.183 0.000 0.936 291 K CB -0.189 32.246 32.500 -0.108 0.000 0.722 291 K HN 0.542 nan 8.250 nan 0.000 0.446 292 Q N 0.266 119.928 119.800 -0.231 0.000 2.084 292 Q HA -0.135 4.204 4.340 -0.002 0.000 0.202 292 Q C 2.148 178.035 176.000 -0.188 0.000 0.978 292 Q CA 1.361 57.057 55.803 -0.178 0.000 0.844 292 Q CB -0.045 28.590 28.738 -0.171 0.000 0.898 292 Q HN 0.090 nan 8.270 nan 0.000 0.426 293 V N 0.902 120.610 119.914 -0.345 0.000 2.358 293 V HA -0.226 3.893 4.120 -0.002 0.000 0.246 293 V C 2.127 178.169 176.094 -0.086 0.000 1.047 293 V CA 1.400 63.529 62.300 -0.286 0.000 1.035 293 V CB -0.453 31.001 31.823 -0.615 0.000 0.658 293 V HN 0.339 nan 8.190 nan 0.000 0.452 294 L N -0.623 120.560 121.223 -0.066 0.000 2.046 294 L HA -0.157 4.182 4.340 -0.002 0.000 0.208 294 L C 2.797 179.811 176.870 0.241 0.000 1.077 294 L CA 1.603 56.536 54.840 0.155 0.000 0.747 294 L CB -0.609 41.559 42.059 0.183 0.000 0.896 294 L HN 0.220 nan 8.230 nan 0.000 0.432 295 R N -0.077 120.482 120.500 0.099 0.000 2.096 295 R HA -0.203 4.135 4.340 -0.002 0.000 0.235 295 R C 1.920 178.309 176.300 0.147 0.000 1.127 295 R CA 1.858 58.021 56.100 0.106 0.000 0.968 295 R CB -0.381 29.932 30.300 0.021 0.000 0.861 295 R HN 0.330 nan 8.270 nan 0.000 0.440 296 D N 0.310 120.767 120.400 0.095 0.000 2.144 296 D HA -0.124 4.515 4.640 -0.002 0.000 0.200 296 D C 1.505 177.898 176.300 0.154 0.000 0.978 296 D CA 1.110 55.169 54.000 0.099 0.000 0.833 296 D CB -0.014 40.811 40.800 0.041 0.000 0.961 296 D HN 0.057 nan 8.370 nan 0.000 0.470 297 N N -0.643 118.150 118.700 0.155 0.000 2.106 297 N HA -0.111 4.628 4.740 -0.002 0.000 0.188 297 N C 1.582 177.185 175.510 0.155 0.000 1.029 297 N CA 0.693 53.823 53.050 0.133 0.000 0.848 297 N CB -0.507 38.034 38.487 0.089 0.000 1.007 297 N HN 0.246 nan 8.380 nan 0.000 0.423 298 F N 1.213 121.234 119.950 0.119 0.000 2.186 298 F HA -0.046 4.479 4.527 -0.003 0.000 0.299 298 F C 2.305 178.173 175.800 0.114 0.000 1.090 298 F CA 1.033 59.102 58.000 0.116 0.000 1.307 298 F CB -0.357 38.698 39.000 0.091 0.000 1.019 298 F HN 0.021 nan 8.300 nan 0.000 0.489 299 A N -1.009 121.983 122.820 0.287 0.000 1.933 299 A HA -0.266 4.052 4.320 -0.002 0.000 0.218 299 A C 2.008 179.692 177.584 0.167 0.000 1.175 299 A CA 1.592 53.745 52.037 0.192 0.000 0.628 299 A CB -1.378 17.712 19.000 0.150 0.000 0.814 299 A HN 0.519 nan 8.150 nan 0.000 0.444 300 Y N 0.512 120.871 120.300 0.097 0.000 2.200 300 Y HA -0.038 4.511 4.550 -0.002 0.000 0.290 300 Y C 2.630 178.598 175.900 0.113 0.000 1.137 300 Y CA 1.244 59.396 58.100 0.086 0.000 1.163 300 Y CB -0.457 38.026 38.460 0.040 0.000 0.988 300 Y HN 0.302 nan 8.280 nan 0.000 0.518 301 A N 0.616 123.538 122.820 0.171 0.000 1.902 301 A HA -0.173 4.145 4.320 -0.002 0.000 0.217 301 A C 2.294 179.926 177.584 0.080 0.000 1.181 301 A CA 1.797 53.901 52.037 0.113 0.000 0.623 301 A CB -0.587 18.431 19.000 0.030 0.000 0.818 301 A HN 0.530 nan 8.150 nan 0.000 0.443 302 R N -0.715 119.841 120.500 0.093 0.000 2.075 302 R HA -0.105 4.234 4.340 -0.002 0.000 0.232 302 R C 2.349 178.662 176.300 0.022 0.000 1.126 302 R CA 1.249 57.399 56.100 0.083 0.000 0.963 302 R CB -0.289 30.084 30.300 0.123 0.000 0.858 302 R HN 0.708 nan 8.270 nan 0.000 0.435 303 E N 0.687 120.879 120.200 -0.014 0.000 2.047 303 E HA -0.213 4.135 4.350 -0.002 0.000 0.191 303 E C 1.755 178.292 176.600 -0.106 0.000 0.987 303 E CA 1.202 57.567 56.400 -0.059 0.000 0.799 303 E CB -0.128 29.532 29.700 -0.066 0.000 0.752 303 E HN 0.246 nan 8.360 nan 0.000 0.449 304 F N 1.286 121.036 119.950 -0.333 0.000 2.102 304 F HA -0.133 4.393 4.527 -0.002 0.000 0.298 304 F C 2.259 177.973 175.800 -0.144 0.000 1.105 304 F CA 1.316 59.127 58.000 -0.315 0.000 1.239 304 F CB -0.152 38.546 39.000 -0.505 0.000 0.991 304 F HN -0.021 nan 8.300 nan 0.000 0.474 305 L N -0.281 120.946 121.223 0.006 0.000 2.156 305 L HA -0.110 4.229 4.340 -0.002 0.000 0.208 305 L C 2.737 179.536 176.870 -0.118 0.000 1.095 305 L CA 0.874 55.688 54.840 -0.044 0.000 0.770 305 L CB -1.040 41.064 42.059 0.075 0.000 0.914 305 L HN 0.240 nan 8.230 nan 0.000 0.439 306 A N 0.157 122.922 122.820 -0.091 0.000 1.933 306 A HA -0.240 4.079 4.320 -0.002 0.000 0.218 306 A C 2.402 179.911 177.584 -0.124 0.000 1.175 306 A CA 1.915 53.902 52.037 -0.083 0.000 0.628 306 A CB -0.311 18.659 19.000 -0.050 0.000 0.814 306 A HN 0.327 nan 8.150 nan 0.000 0.444 307 K N -1.136 119.155 120.400 -0.182 0.000 2.098 307 K HA -0.049 4.270 4.320 -0.002 0.000 0.203 307 K C 1.378 177.828 176.600 -0.250 0.000 1.051 307 K CA 1.258 57.429 56.287 -0.193 0.000 0.957 307 K CB 0.076 32.456 32.500 -0.199 0.000 0.738 307 K HN 0.330 nan 8.250 nan 0.000 0.447 308 E N -0.248 119.708 120.200 -0.408 0.000 2.413 308 E HA 0.065 4.413 4.350 -0.002 0.000 0.203 308 E C -0.182 176.256 176.600 -0.270 0.000 0.957 308 E CA 0.307 56.451 56.400 -0.427 0.000 0.950 308 E CB 1.587 30.782 29.700 -0.841 0.000 0.957 308 E HN 0.015 nan 8.360 nan 0.000 0.497 309 V N 3.299 123.081 119.914 -0.220 0.000 2.468 309 V HA 0.129 4.247 4.120 -0.002 0.000 0.256 309 V C -2.028 174.015 176.094 -0.085 0.000 0.998 309 V CA -0.849 61.388 62.300 -0.106 0.000 1.114 309 V CB 1.275 33.075 31.823 -0.038 0.000 1.378 309 V HN -0.048 nan 8.190 nan 0.000 0.573 310 P HA -0.085 nan 4.420 nan 0.000 0.228 310 P C 0.995 178.250 177.300 -0.074 0.000 1.151 310 P CA 0.970 64.025 63.100 -0.076 0.000 0.770 310 P CB 0.553 32.211 31.700 -0.071 0.000 0.786 311 E N -0.267 119.887 120.200 -0.077 0.000 2.347 311 E HA -0.023 4.326 4.350 -0.002 0.000 0.196 311 E C 1.119 177.645 176.600 -0.122 0.000 1.008 311 E CA 0.325 56.669 56.400 -0.093 0.000 0.852 311 E CB -0.381 29.267 29.700 -0.088 0.000 0.783 311 E HN 0.279 nan 8.360 nan 0.000 0.505 312 V N -1.929 117.919 119.914 -0.109 0.000 3.103 312 V HA 0.709 4.828 4.120 -0.002 0.000 0.318 312 V C -0.716 175.324 176.094 -0.090 0.000 1.114 312 V CA -1.312 60.909 62.300 -0.132 0.000 1.020 312 V CB 2.158 33.904 31.823 -0.128 0.000 1.085 312 V HN -0.146 nan 8.190 nan 0.000 0.446 313 K N 1.632 121.976 120.400 -0.092 0.000 2.578 313 K HA 0.633 4.951 4.320 -0.002 0.000 0.250 313 K C -1.397 175.219 176.600 0.027 0.000 0.955 313 K CA -0.463 55.808 56.287 -0.027 0.000 0.825 313 K CB 1.697 34.184 32.500 -0.021 0.000 1.151 313 K HN 0.777 nan 8.250 nan 0.000 0.432 314 V N 5.467 125.423 119.914 0.071 0.000 2.508 314 V HA 0.202 4.321 4.120 -0.002 0.000 0.281 314 V C 0.573 176.777 176.094 0.184 0.000 1.041 314 V CA -0.722 61.663 62.300 0.141 0.000 1.016 314 V CB 0.707 32.622 31.823 0.154 0.000 0.984 314 V HN 0.725 nan 8.190 nan 0.000 0.478 315 L N 4.130 125.513 121.223 0.266 0.000 2.483 315 L HA 0.173 4.512 4.340 -0.002 0.000 0.276 315 L C 0.551 177.554 176.870 0.222 0.000 1.213 315 L CA 0.422 55.437 54.840 0.291 0.000 0.843 315 L CB 0.489 42.807 42.059 0.432 0.000 1.107 315 L HN 0.736 nan 8.230 nan 0.000 0.487 316 D N 2.182 122.680 120.400 0.163 0.000 2.390 316 D HA 0.316 4.955 4.640 -0.002 0.000 0.249 316 D C -0.897 175.462 176.300 0.098 0.000 1.144 316 D CA 0.322 54.389 54.000 0.112 0.000 0.880 316 D CB 0.579 41.423 40.800 0.074 0.000 1.182 316 D HN 0.567 nan 8.370 nan 0.000 0.451 317 S N 2.081 117.811 115.700 0.049 0.000 2.541 317 S HA 0.394 4.863 4.470 -0.002 0.000 0.271 317 S C 0.084 174.629 174.600 -0.091 0.000 1.133 317 S CA -0.950 57.248 58.200 -0.004 0.000 0.876 317 S CB 1.350 64.542 63.200 -0.013 0.000 1.105 317 S HN 0.462 nan 8.310 nan 0.000 0.470 318 N N 0.541 119.185 118.700 -0.093 0.000 2.184 318 N HA 0.426 5.165 4.740 -0.002 0.000 0.206 318 N C -0.092 175.307 175.510 -0.184 0.000 1.151 318 N CA 0.181 53.151 53.050 -0.134 0.000 0.878 318 N CB 0.727 39.159 38.487 -0.092 0.000 1.014 318 N HN 0.951 nan 8.380 nan 0.000 0.512 319 A N -0.099 122.594 122.820 -0.211 0.000 2.572 319 A HA 0.796 5.115 4.320 -0.002 0.000 0.295 319 A C -0.394 177.064 177.584 -0.211 0.000 1.072 319 A CA -0.093 51.826 52.037 -0.195 0.000 0.691 319 A CB 0.874 19.759 19.000 -0.191 0.000 1.291 319 A HN 1.223 nan 8.150 nan 0.000 0.404 320 S N -0.917 114.700 115.700 -0.139 0.000 3.656 320 S HA -0.117 4.351 4.470 -0.002 0.000 0.764 320 S C -0.147 174.471 174.600 0.030 0.000 1.134 320 S CA 0.862 58.981 58.200 -0.135 0.000 1.138 320 S CB -1.499 61.474 63.200 -0.378 0.000 0.596 320 S HN 2.258 nan 8.310 nan 0.000 0.459 321 Y N 0.550 120.965 120.300 0.192 0.000 2.532 321 Y HA 0.737 5.285 4.550 -0.002 0.000 0.283 321 Y C 0.289 176.406 175.900 0.361 0.000 1.181 321 Y CA -1.017 57.309 58.100 0.378 0.000 1.256 321 Y CB -0.156 38.468 38.460 0.273 0.000 1.112 321 Y HN 0.568 nan 8.280 nan 0.000 0.521 322 L N 2.002 123.402 121.223 0.294 0.000 2.296 322 L HA 0.804 5.142 4.340 -0.002 0.000 0.286 322 L C 0.045 177.120 176.870 0.342 0.000 1.023 322 L CA -1.313 53.659 54.840 0.220 0.000 0.812 322 L CB 1.616 43.657 42.059 -0.030 0.000 1.223 322 L HN 0.236 nan 8.230 nan 0.000 0.421 323 A N 3.833 126.832 122.820 0.299 0.000 2.309 323 A HA 0.362 4.680 4.320 -0.002 0.000 0.298 323 A C -1.150 176.658 177.584 0.372 0.000 1.165 323 A CA -0.420 51.821 52.037 0.339 0.000 0.821 323 A CB 0.600 19.681 19.000 0.136 0.000 1.102 323 A HN 0.867 nan 8.150 nan 0.000 0.500 324 W N 4.194 125.581 121.300 0.145 0.000 2.318 324 W HA 0.541 5.200 4.660 -0.002 0.000 0.315 324 W C -1.900 174.781 176.519 0.270 0.000 1.033 324 W CA -0.539 56.895 57.345 0.148 0.000 1.275 324 W CB 1.608 31.088 29.460 0.033 0.000 1.250 324 W HN 0.447 nan 8.180 nan 0.000 0.421 325 V N 5.709 125.678 119.914 0.091 0.000 2.444 325 V HA 0.054 4.172 4.120 -0.002 0.000 0.294 325 V C 0.043 175.951 176.094 -0.309 0.000 1.022 325 V CA -0.606 61.688 62.300 -0.010 0.000 0.850 325 V CB 1.490 33.316 31.823 0.005 0.000 0.992 325 V HN 0.419 nan 8.190 nan 0.000 0.426 326 D N 4.948 125.083 120.400 -0.441 0.000 2.339 326 D HA 0.171 4.809 4.640 -0.002 0.000 0.256 326 D C 0.683 176.610 176.300 -0.621 0.000 1.214 326 D CA -0.111 53.292 54.000 -0.994 0.000 0.877 326 D CB 1.122 41.557 40.800 -0.609 0.000 1.111 326 D HN 0.660 nan 8.370 nan 0.000 0.478 327 I N 1.056 121.222 120.570 -0.674 0.000 3.877 327 I HA 0.124 4.292 4.170 -0.002 0.000 0.332 327 I C 1.395 177.257 176.117 -0.425 0.000 1.525 327 I CA -0.458 60.540 61.300 -0.502 0.000 1.146 327 I CB 0.166 37.823 38.000 -0.571 0.000 1.137 327 I HN 0.154 nan 8.210 nan 0.000 0.424 328 S N 1.688 117.136 115.700 -0.420 0.000 2.419 328 S HA -0.066 4.403 4.470 -0.002 0.000 0.233 328 S C 1.989 176.468 174.600 -0.202 0.000 1.016 328 S CA 0.921 58.950 58.200 -0.285 0.000 0.974 328 S CB -0.349 62.699 63.200 -0.253 0.000 0.786 328 S HN 0.601 nan 8.310 nan 0.000 0.492 329 A N 1.043 123.739 122.820 -0.206 0.000 2.209 329 A HA 0.382 4.700 4.320 -0.002 0.000 0.212 329 A C 2.009 179.501 177.584 -0.154 0.000 1.158 329 A CA 0.455 52.400 52.037 -0.153 0.000 0.742 329 A CB -0.605 18.314 19.000 -0.136 0.000 0.790 329 A HN 0.588 nan 8.150 nan 0.000 0.472 330 L N -1.279 119.822 121.223 -0.203 0.000 2.446 330 L HA 0.220 4.559 4.340 -0.002 0.000 0.219 330 L C 1.507 178.292 176.870 -0.142 0.000 1.116 330 L CA 0.345 55.066 54.840 -0.199 0.000 0.844 330 L CB -0.933 40.925 42.059 -0.335 0.000 0.970 330 L HN 0.558 nan 8.230 nan 0.000 0.457 334 A N 1.577 124.476 122.820 0.131 0.000 1.972 334 A HA -0.122 4.197 4.320 -0.002 0.000 0.219 334 A C 1.740 179.439 177.584 0.193 0.000 1.169 334 A CA 1.998 54.131 52.037 0.159 0.000 0.635 334 A CB -0.343 18.732 19.000 0.126 0.000 0.810 334 A HN 0.687 nan 8.150 nan 0.000 0.446 335 E N -0.162 120.123 120.200 0.142 0.000 2.106 335 E HA -0.145 4.204 4.350 -0.002 0.000 0.192 335 E C 1.696 178.349 176.600 0.089 0.000 0.984 335 E CA 1.216 57.676 56.400 0.100 0.000 0.806 335 E CB -0.455 29.287 29.700 0.069 0.000 0.750 335 E HN 0.724 nan 8.360 nan 0.000 0.458 336 D N -0.585 119.878 120.400 0.105 0.000 2.123 336 D HA -0.059 4.580 4.640 -0.002 0.000 0.200 336 D C 1.688 178.076 176.300 0.147 0.000 0.976 336 D CA 0.857 54.914 54.000 0.096 0.000 0.831 336 D CB -0.481 40.367 40.800 0.078 0.000 0.974 336 D HN 0.345 nan 8.370 nan 0.000 0.469 337 F N 1.280 121.262 119.950 0.054 0.000 2.171 337 F HA -0.194 4.331 4.527 -0.003 0.000 0.300 337 F C 2.165 178.058 175.800 0.156 0.000 1.090 337 F CA 0.994 59.056 58.000 0.103 0.000 1.293 337 F CB -0.286 38.744 39.000 0.049 0.000 1.013 337 F HN -0.039 nan 8.300 nan 0.000 0.486 338 C N 0.051 119.359 119.300 0.013 0.000 2.435 338 C HA -0.130 4.329 4.460 -0.002 0.000 0.279 338 C C 2.935 177.829 174.990 -0.160 0.000 1.321 338 C CA 1.317 60.264 59.018 -0.118 0.000 1.752 338 C CB -1.137 26.612 27.740 0.016 0.000 1.959 338 C HN 0.528 nan 8.230 nan 0.000 0.500 339 K N 0.165 120.519 120.400 -0.077 0.000 2.001 339 K HA -0.177 4.141 4.320 -0.002 0.000 0.208 339 K C 1.886 178.430 176.600 -0.093 0.000 1.048 339 K CA 1.888 58.128 56.287 -0.078 0.000 0.932 339 K CB -1.132 31.352 32.500 -0.026 0.000 0.715 339 K HN 0.723 nan 8.250 nan 0.000 0.437 340 Y N 0.882 121.076 120.300 -0.176 0.000 2.114 340 Y HA -0.188 4.361 4.550 -0.002 0.000 0.282 340 Y C 1.998 177.744 175.900 -0.256 0.000 1.165 340 Y CA 2.161 60.152 58.100 -0.182 0.000 1.148 340 Y CB -0.653 37.716 38.460 -0.152 0.000 0.972 340 Y HN 0.217 nan 8.280 nan 0.000 0.504 341 L N 1.081 121.935 121.223 -0.616 0.000 2.083 341 L HA -0.130 4.209 4.340 -0.002 0.000 0.209 341 L C 2.690 179.282 176.870 -0.463 0.000 1.083 341 L CA 2.120 56.526 54.840 -0.723 0.000 0.752 341 L CB -0.855 40.769 42.059 -0.725 0.000 0.899 341 L HN 0.320 nan 8.230 nan 0.000 0.433 342 R N -0.409 119.891 120.500 -0.334 0.000 2.075 342 R HA -0.154 4.184 4.340 -0.002 0.000 0.232 342 R C 2.229 178.397 176.300 -0.219 0.000 1.126 342 R CA 1.668 57.627 56.100 -0.235 0.000 0.963 342 R CB -0.307 29.874 30.300 -0.199 0.000 0.858 342 R HN 0.549 nan 8.270 nan 0.000 0.435 343 E N 0.563 120.621 120.200 -0.237 0.000 2.106 343 E HA -0.167 4.181 4.350 -0.002 0.000 0.192 343 E C 2.047 178.519 176.600 -0.213 0.000 0.984 343 E CA 1.838 58.126 56.400 -0.187 0.000 0.806 343 E CB -0.725 28.888 29.700 -0.144 0.000 0.750 343 E HN 0.667 nan 8.360 nan 0.000 0.458 344 K N 0.234 120.426 120.400 -0.347 0.000 2.167 344 K HA 0.045 4.364 4.320 -0.002 0.000 0.203 344 K C 2.331 178.799 176.600 -0.221 0.000 1.052 344 K CA 2.031 58.123 56.287 -0.324 0.000 0.956 344 K CB -0.419 31.740 32.500 -0.567 0.000 0.735 344 K HN 0.738 nan 8.250 nan 0.000 0.451 345 T N -6.420 108.000 114.554 -0.224 0.000 3.009 345 T HA 0.374 4.722 4.350 -0.002 0.000 0.267 345 T C 1.747 176.381 174.700 -0.109 0.000 0.942 345 T CA 1.199 63.213 62.100 -0.143 0.000 0.883 345 T CB 0.587 69.374 68.868 -0.134 0.000 1.192 345 T HN 1.349 nan 8.240 nan 0.000 0.524 346 G N 1.504 110.227 108.800 -0.128 0.000 2.184 346 G HA2 -0.228 3.731 3.960 -0.002 0.000 0.264 346 G HA3 -0.228 3.731 3.960 -0.002 0.000 0.264 346 G C -0.062 174.782 174.900 -0.094 0.000 0.975 346 G CA 0.238 45.279 45.100 -0.098 0.000 0.642 346 G HN 0.807 nan 8.290 nan 0.000 0.536 347 L N 1.610 122.772 121.223 -0.101 0.000 2.410 347 L HA 0.622 4.961 4.340 -0.002 0.000 0.273 347 L C 0.351 177.161 176.870 -0.100 0.000 1.144 347 L CA -0.206 54.586 54.840 -0.080 0.000 0.863 347 L CB 0.440 42.463 42.059 -0.059 0.000 1.140 347 L HN 0.195 nan 8.230 nan 0.000 0.463 348 I N 7.529 128.056 120.570 -0.072 0.000 2.359 348 I HA 0.362 4.531 4.170 -0.002 0.000 0.284 348 I C -0.028 176.110 176.117 0.035 0.000 1.018 348 I CA -0.387 60.857 61.300 -0.094 0.000 1.173 348 I CB 0.624 38.517 38.000 -0.178 0.000 1.326 348 I HN 0.609 nan 8.210 nan 0.000 0.462 349 I N 1.188 121.783 120.570 0.043 0.000 3.067 349 I HA 0.624 4.792 4.170 -0.002 0.000 0.312 349 I C -0.271 175.961 176.117 0.192 0.000 1.073 349 I CA -0.763 60.637 61.300 0.167 0.000 1.016 349 I CB 2.184 40.277 38.000 0.156 0.000 1.227 349 I HN 0.213 nan 8.210 nan 0.000 0.456 350 S N 2.430 118.311 115.700 0.301 0.000 2.489 350 S HA 0.587 5.056 4.470 -0.002 0.000 0.277 350 S C 0.208 175.001 174.600 0.322 0.000 1.230 350 S CA -0.629 57.776 58.200 0.343 0.000 1.053 350 S CB 1.136 64.628 63.200 0.486 0.000 0.955 350 S HN 0.798 nan 8.310 nan 0.000 0.488 351 A N 2.791 125.760 122.820 0.249 0.000 2.425 351 A HA 0.528 4.847 4.320 -0.002 0.000 0.249 351 A C 1.469 179.272 177.584 0.365 0.000 1.084 351 A CA -0.183 52.002 52.037 0.247 0.000 0.781 351 A CB -0.070 19.030 19.000 0.167 0.000 1.019 351 A HN 0.966 nan 8.150 nan 0.000 0.490 352 G N 1.244 110.268 108.800 0.373 0.000 2.534 352 G HA2 -0.165 3.794 3.960 -0.002 0.000 0.217 352 G HA3 -0.165 3.794 3.960 -0.002 0.000 0.217 352 G C 0.994 176.215 174.900 0.534 0.000 1.128 352 G CA 0.916 46.381 45.100 0.608 0.000 0.784 352 G HN 0.794 nan 8.290 nan 0.000 0.542 353 N N 1.162 120.048 118.700 0.310 0.000 2.091 353 N HA -0.109 4.630 4.740 -0.002 0.000 0.193 353 N C 2.245 177.847 175.510 0.153 0.000 1.021 353 N CA 1.517 54.705 53.050 0.230 0.000 0.862 353 N CB -0.568 38.009 38.487 0.151 0.000 1.018 353 N HN 0.279 nan 8.380 nan 0.000 0.429 354 G N -1.216 107.601 108.800 0.028 0.000 2.509 354 G HA2 -0.205 3.754 3.960 -0.002 0.000 0.218 354 G HA3 -0.205 3.754 3.960 -0.002 0.000 0.218 354 G C 0.604 175.427 174.900 -0.129 0.000 1.124 354 G CA 0.336 45.363 45.100 -0.121 0.000 0.776 354 G HN 0.370 nan 8.290 nan 0.000 0.547 355 Y N 0.119 120.568 120.300 0.249 0.000 2.529 355 Y HA 0.252 4.801 4.550 -0.003 0.000 0.290 355 Y C 1.622 177.702 175.900 0.300 0.000 1.177 355 Y CA -0.278 57.980 58.100 0.263 0.000 1.305 355 Y CB -0.024 38.515 38.460 0.131 0.000 1.047 355 Y HN 0.105 nan 8.280 nan 0.000 0.522 356 R N -1.037 119.631 120.500 0.281 0.000 3.860 356 R HA -0.249 4.089 4.340 -0.002 0.000 0.460 356 R C 1.365 177.813 176.300 0.247 0.000 0.241 356 R CA 0.658 56.855 56.100 0.160 0.000 1.452 356 R CB -1.700 28.542 30.300 -0.096 0.000 1.021 356 R HN 0.560 nan 8.270 nan 0.000 0.555 357 G N 0.985 109.903 108.800 0.197 0.000 2.596 357 G HA2 -0.419 3.539 3.960 -0.002 0.000 0.295 357 G HA3 -0.419 3.539 3.960 -0.002 0.000 0.295 357 G C 0.143 175.198 174.900 0.258 0.000 1.240 357 G CA 0.928 46.155 45.100 0.212 0.000 0.985 357 G HN 1.091 nan 8.290 nan 0.000 0.555 358 N N 2.158 121.010 118.700 0.253 0.000 2.327 358 N HA 0.307 5.046 4.740 -0.002 0.000 0.231 358 N C 1.671 177.281 175.510 0.167 0.000 1.130 358 N CA 1.261 54.428 53.050 0.195 0.000 0.845 358 N CB -0.100 38.495 38.487 0.179 0.000 1.073 358 N HN 1.065 nan 8.380 nan 0.000 0.496 359 G N 0.861 109.857 108.800 0.326 0.000 2.498 359 G HA2 -0.288 3.671 3.960 -0.002 0.000 0.219 359 G HA3 -0.288 3.671 3.960 -0.002 0.000 0.219 359 G C 1.215 176.283 174.900 0.279 0.000 1.119 359 G CA 0.798 46.171 45.100 0.455 0.000 0.766 359 G HN 0.717 nan 8.290 nan 0.000 0.552 360 H N 0.010 119.226 119.070 0.243 0.000 2.561 360 H HA 0.111 4.666 4.556 -0.002 0.000 0.278 360 H C 1.120 176.496 175.328 0.080 0.000 1.014 360 H CA 1.089 57.224 56.048 0.145 0.000 1.211 360 H CB 0.015 29.837 29.762 0.099 0.000 1.365 360 H HN 0.448 nan 8.280 nan 0.000 0.594 361 E N -0.141 119.854 120.200 -0.342 0.000 2.476 361 E HA 0.184 4.532 4.350 -0.002 0.000 0.196 361 E C -0.801 175.425 176.600 -0.625 0.000 1.029 361 E CA -0.213 55.942 56.400 -0.407 0.000 0.896 361 E CB 0.401 29.805 29.700 -0.493 0.000 1.012 361 E HN 0.232 nan 8.360 nan 0.000 0.475 362 F N 0.259 119.938 119.950 -0.451 0.000 2.613 362 F HA 0.326 4.852 4.527 -0.002 0.000 0.314 362 F C -0.105 175.406 175.800 -0.482 0.000 1.075 362 F CA -1.376 56.185 58.000 -0.731 0.000 0.945 362 F CB 1.538 39.510 39.000 -1.712 0.000 1.310 362 F HN -0.317 nan 8.300 nan 0.000 0.467 363 V N -0.127 119.659 119.914 -0.212 0.000 2.864 363 V HA 0.723 4.842 4.120 -0.002 0.000 0.314 363 V C -0.949 175.223 176.094 0.130 0.000 1.073 363 V CA -0.983 61.340 62.300 0.038 0.000 0.956 363 V CB 1.987 33.898 31.823 0.146 0.000 1.023 363 V HN 0.850 nan 8.190 nan 0.000 0.435 364 R N 2.527 123.225 120.500 0.330 0.000 2.494 364 R HA 0.779 5.117 4.340 -0.002 0.000 0.305 364 R C -1.457 175.015 176.300 0.286 0.000 0.959 364 R CA -0.721 55.620 56.100 0.402 0.000 0.864 364 R CB 1.575 32.153 30.300 0.464 0.000 1.159 364 R HN 0.905 nan 8.270 nan 0.000 0.446 365 I N 3.187 123.894 120.570 0.228 0.000 2.466 365 I HA 0.217 4.385 4.170 -0.002 0.000 0.289 365 I C -0.459 175.741 176.117 0.139 0.000 1.026 365 I CA -1.108 60.290 61.300 0.163 0.000 1.078 365 I CB 1.919 39.985 38.000 0.110 0.000 1.249 365 I HN 0.473 nan 8.210 nan 0.000 0.429 366 N N 6.914 125.697 118.700 0.139 0.000 2.406 366 N HA 0.264 5.002 4.740 -0.002 0.000 0.251 366 N C -0.032 175.518 175.510 0.065 0.000 1.069 366 N CA 0.005 53.158 53.050 0.172 0.000 0.947 366 N CB 1.014 39.589 38.487 0.147 0.000 1.111 366 N HN 0.647 nan 8.380 nan 0.000 0.497 367 L N 1.920 123.180 121.223 0.061 0.000 2.667 367 L HA 0.308 4.646 4.340 -0.002 0.000 0.232 367 L C 0.867 177.720 176.870 -0.028 0.000 1.138 367 L CA -0.228 54.573 54.840 -0.065 0.000 0.921 367 L CB 0.124 41.992 42.059 -0.318 0.000 1.180 367 L HN 0.511 nan 8.230 nan 0.000 0.487 368 A N 0.979 123.724 122.820 -0.124 0.000 3.077 368 A HA 0.379 4.698 4.320 -0.002 0.000 0.255 368 A C 0.230 177.425 177.584 -0.648 0.000 1.728 368 A CA -0.404 51.439 52.037 -0.322 0.000 1.383 368 A CB -1.124 17.323 19.000 -0.923 0.000 1.097 368 A HN 0.498 nan 8.150 nan 0.000 0.634 369 C N -2.669 116.319 119.300 -0.521 0.000 3.291 369 C HA 0.805 5.264 4.460 -0.002 0.000 0.316 369 C C -3.201 171.676 174.990 -0.188 0.000 1.391 369 C CA -2.364 56.279 59.018 -0.625 0.000 1.394 369 C CB 1.185 28.777 27.740 -0.248 0.000 1.744 369 C HN 0.369 nan 8.230 nan 0.000 0.461 370 P HA 0.115 nan 4.420 nan 0.000 0.266 370 P C 0.587 177.929 177.300 0.071 0.000 1.193 370 P CA 0.376 63.599 63.100 0.204 0.000 0.770 370 P CB 0.641 32.410 31.700 0.116 0.000 0.836 371 K N 3.745 124.181 120.400 0.061 0.000 2.127 371 K HA -0.271 4.048 4.320 -0.002 0.000 0.208 371 K C 2.118 178.643 176.600 -0.125 0.000 1.047 371 K CA 2.567 58.821 56.287 -0.054 0.000 0.927 371 K CB -0.978 31.481 32.500 -0.068 0.000 0.716 371 K HN 0.477 nan 8.250 nan 0.000 0.450 372 E N 0.286 120.436 120.200 -0.082 0.000 2.153 372 E HA -0.112 4.237 4.350 -0.002 0.000 0.194 372 E C 1.923 178.473 176.600 -0.083 0.000 0.988 372 E CA 1.544 57.887 56.400 -0.095 0.000 0.811 372 E CB -0.701 28.962 29.700 -0.061 0.000 0.746 372 E HN 0.261 nan 8.360 nan 0.000 0.466 373 L N 0.076 121.269 121.223 -0.050 0.000 2.156 373 L HA -0.049 4.289 4.340 -0.002 0.000 0.208 373 L C 2.661 179.493 176.870 -0.063 0.000 1.095 373 L CA 0.963 55.785 54.840 -0.030 0.000 0.770 373 L CB -0.128 41.937 42.059 0.010 0.000 0.914 373 L HN 0.295 nan 8.230 nan 0.000 0.439 374 V N -0.571 119.287 119.914 -0.095 0.000 2.358 374 V HA -0.267 3.852 4.120 -0.002 0.000 0.246 374 V C 2.327 178.321 176.094 -0.166 0.000 1.047 374 V CA 1.681 63.916 62.300 -0.109 0.000 1.035 374 V CB -0.375 31.384 31.823 -0.106 0.000 0.658 374 V HN 0.313 nan 8.190 nan 0.000 0.452 375 I N 0.408 120.810 120.570 -0.280 0.000 2.226 375 I HA -0.234 3.935 4.170 -0.002 0.000 0.245 375 I C 2.423 178.421 176.117 -0.198 0.000 1.100 375 I CA 1.905 63.000 61.300 -0.342 0.000 1.374 375 I CB -0.398 37.370 38.000 -0.385 0.000 1.057 375 I HN 0.370 nan 8.210 nan 0.000 0.413 376 D N 1.006 121.328 120.400 -0.130 0.000 2.097 376 D HA -0.077 4.562 4.640 -0.002 0.000 0.195 376 D C 1.381 177.640 176.300 -0.068 0.000 0.989 376 D CA 1.199 55.153 54.000 -0.078 0.000 0.827 376 D CB -0.393 40.383 40.800 -0.041 0.000 0.966 376 D HN 0.221 nan 8.370 nan 0.000 0.456 380 R N 0.472 120.989 120.500 0.028 0.000 2.081 380 R HA -0.048 4.291 4.340 -0.002 0.000 0.235 380 R C 1.927 178.263 176.300 0.060 0.000 1.131 380 R CA 1.520 57.634 56.100 0.024 0.000 0.960 380 R CB -0.339 29.954 30.300 -0.011 0.000 0.856 380 R HN 0.254 nan 8.270 nan 0.000 0.436 381 L N 1.912 123.194 121.223 0.098 0.000 2.012 381 L HA -0.203 4.135 4.340 -0.002 0.000 0.210 381 L C 2.331 179.325 176.870 0.207 0.000 1.073 381 L CA 1.882 56.821 54.840 0.166 0.000 0.748 381 L CB -0.563 41.606 42.059 0.183 0.000 0.891 381 L HN 0.025 nan 8.230 nan 0.000 0.431 382 K N -0.994 119.548 120.400 0.236 0.000 2.020 382 K HA -0.319 3.999 4.320 -0.002 0.000 0.212 382 K C 2.261 178.960 176.600 0.164 0.000 1.050 382 K CA 2.078 58.497 56.287 0.220 0.000 0.929 382 K CB -0.285 32.398 32.500 0.304 0.000 0.714 382 K HN 0.386 nan 8.250 nan 0.000 0.443 383 Q N 0.018 119.902 119.800 0.140 0.000 2.112 383 Q HA -0.124 4.215 4.340 -0.002 0.000 0.206 383 Q C 1.891 177.959 176.000 0.114 0.000 0.987 383 Q CA 2.334 58.196 55.803 0.100 0.000 0.858 383 Q CB -0.776 27.997 28.738 0.058 0.000 0.905 383 Q HN 0.501 nan 8.270 nan 0.000 0.420 384 G N -0.814 108.058 108.800 0.121 0.000 2.421 384 G HA2 -0.203 3.756 3.960 -0.002 0.000 0.216 384 G HA3 -0.203 3.756 3.960 -0.002 0.000 0.216 384 G C 1.425 176.573 174.900 0.412 0.000 1.171 384 G CA 1.033 46.243 45.100 0.184 0.000 0.775 384 G HN 0.315 nan 8.290 nan 0.000 0.543 385 V N 1.063 121.186 119.914 0.347 0.000 2.379 385 V HA -0.072 4.046 4.120 -0.002 0.000 0.245 385 V C 3.341 179.537 176.094 0.170 0.000 1.044 385 V CA 1.970 64.440 62.300 0.283 0.000 1.036 385 V CB -0.558 31.362 31.823 0.162 0.000 0.664 385 V HN 0.468 nan 8.190 nan 0.000 0.453 386 L N 0.151 121.457 121.223 0.139 0.000 2.217 386 L HA 0.049 4.388 4.340 -0.002 0.000 0.211 386 L C 2.207 179.134 176.870 0.095 0.000 1.107 386 L CA 2.332 57.224 54.840 0.087 0.000 0.783 386 L CB -2.435 39.665 42.059 0.067 0.000 0.919 386 L HN 0.667 nan 8.230 nan 0.000 0.442 387 N N -0.617 118.170 118.700 0.145 0.000 2.398 387 N HA 0.372 5.110 4.740 -0.002 0.000 0.188 387 N C 1.036 176.641 175.510 0.158 0.000 1.122 387 N CA 0.214 53.353 53.050 0.148 0.000 0.866 387 N CB -0.225 38.361 38.487 0.166 0.000 0.970 387 N HN 0.689 nan 8.380 nan 0.000 0.462 388 L N 0.000 121.300 121.223 0.128 0.000 2.949 388 L HA 0.000 4.339 4.340 -0.002 0.000 0.249 388 L CA 0.000 54.835 54.840 -0.009 0.000 0.813 388 L CB 0.000 42.035 42.059 -0.041 0.000 0.961 388 L HN 0.000 nan 8.230 nan 0.000 0.502