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 1ek9_1_A DATA FIRST_RESID 1 DATA SEQUENCE ENLXQVYQQA RLSNPELRKS AADRDAAFEK INEARSPLLP QLGLGADYTY DATA SEQUENCE SNGYRDANGI NSNATSASLQ LTQSIFDXSK WRALTLQEKA AGIQDVTYQT DATA SEQUENCE DQQTLILNTA TAYFNVLNAI DVLSYTQAQK EAIYRQLDQT TQRFNVGLVA DATA SEQUENCE ITDVQNARAQ YDTVLANELT ARNNLDNAVE QLRQITGNYY PELAALNVEN DATA SEQUENCE FKTDKPQPVN ALLKEAEKRN LSLLQARLSQ DLAREQIRQA QDGHLPTLDL DATA SEQUENCE TASTGISDTS YSGSKTRGAA GTQYDDSNXG QNKVGLSFSL PIYQGGXVNS DATA SEQUENCE QVKQAQYNFV GASEQLESAH RSVVQTVRSS FNNINASISS INAYKQAVVS DATA SEQUENCE AQSSLDAXEA GYSVGTRTIV DVLDATTTLY NAKQELANAR YNYLINQLNI DATA SEQUENCE KSALGTLNEQ DLLALNNALS KPVSTNPE 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 1 E HA 0.000 nan 4.350 nan 0.000 0.291 1 E C 0.000 176.596 176.600 -0.007 0.000 1.382 1 E CA 0.000 56.371 56.400 -0.047 0.000 0.976 1 E CB 0.000 29.712 29.700 0.020 0.000 0.812 2 N N 1.856 120.552 118.700 -0.007 0.000 2.447 2 N HA 0.318 5.057 4.740 -0.000 0.000 0.271 2 N C 0.407 175.817 175.510 -0.166 0.000 1.226 2 N CA -0.546 52.504 53.050 0.000 0.000 0.980 2 N CB 0.609 39.086 38.487 -0.017 0.000 1.206 2 N HN 0.150 nan 8.380 nan 0.000 0.558 6 V N 1.000 120.848 119.914 -0.110 0.000 2.307 6 V HA -0.244 3.876 4.120 -0.000 0.000 0.245 6 V C 1.886 177.985 176.094 0.008 0.000 1.045 6 V CA 2.396 64.625 62.300 -0.119 0.000 1.024 6 V CB -0.518 31.171 31.823 -0.223 0.000 0.651 6 V HN 0.400 nan 8.190 nan 0.000 0.449 7 Y N 1.194 121.432 120.300 -0.103 0.000 2.224 7 Y HA -0.239 4.311 4.550 -0.000 0.000 0.289 7 Y C 2.634 178.518 175.900 -0.027 0.000 1.146 7 Y CA 1.697 59.757 58.100 -0.066 0.000 1.182 7 Y CB -0.249 38.154 38.460 -0.097 0.000 0.983 7 Y HN 0.280 nan 8.280 nan 0.000 0.524 8 Q N 0.166 119.847 119.800 -0.198 0.000 2.119 8 Q HA -0.217 4.123 4.340 -0.000 0.000 0.201 8 Q C 2.121 178.011 176.000 -0.183 0.000 0.972 8 Q CA 1.879 57.540 55.803 -0.238 0.000 0.847 8 Q CB -0.398 28.297 28.738 -0.072 0.000 0.903 8 Q HN 0.680 nan 8.270 nan 0.000 0.433 9 Q N 0.290 120.044 119.800 -0.077 0.000 2.123 9 Q HA -0.031 4.308 4.340 -0.000 0.000 0.199 9 Q C 2.108 178.079 176.000 -0.047 0.000 0.966 9 Q CA 1.219 57.012 55.803 -0.016 0.000 0.845 9 Q CB -0.171 28.624 28.738 0.095 0.000 0.907 9 Q HN 0.374 nan 8.270 nan 0.000 0.439 10 A N 1.351 124.125 122.820 -0.077 0.000 1.877 10 A HA -0.218 4.101 4.320 -0.000 0.000 0.216 10 A C 2.042 179.532 177.584 -0.156 0.000 1.186 10 A CA 1.496 53.489 52.037 -0.075 0.000 0.620 10 A CB -0.535 18.450 19.000 -0.024 0.000 0.822 10 A HN 0.219 nan 8.150 nan 0.000 0.443 11 R N -0.227 120.058 120.500 -0.359 0.000 2.103 11 R HA -0.193 4.147 4.340 -0.000 0.000 0.242 11 R C 1.967 178.179 176.300 -0.147 0.000 1.142 11 R CA 2.002 57.910 56.100 -0.321 0.000 0.960 11 R CB -0.544 29.434 30.300 -0.538 0.000 0.858 11 R HN 0.564 nan 8.270 nan 0.000 0.439 12 L N -1.016 120.134 121.223 -0.122 0.000 2.156 12 L HA 0.031 4.371 4.340 -0.000 0.000 0.208 12 L C 2.095 178.945 176.870 -0.032 0.000 1.095 12 L CA 1.644 56.448 54.840 -0.059 0.000 0.770 12 L CB -0.471 41.560 42.059 -0.048 0.000 0.914 12 L HN 0.089 nan 8.230 nan 0.000 0.439 13 S N -1.969 113.712 115.700 -0.031 0.000 2.540 13 S HA 0.097 4.567 4.470 -0.000 0.000 0.222 13 S C 0.847 175.447 174.600 -0.001 0.000 1.008 13 S CA -0.559 57.635 58.200 -0.011 0.000 0.939 13 S CB -0.717 62.478 63.200 -0.008 0.000 0.865 13 S HN 0.453 nan 8.310 nan 0.000 0.499 14 N N 3.713 122.412 118.700 -0.003 0.000 2.440 14 N HA 0.071 4.811 4.740 -0.000 0.000 0.265 14 N C -1.639 173.887 175.510 0.026 0.000 1.239 14 N CA -0.711 52.348 53.050 0.014 0.000 0.909 14 N CB 1.285 39.782 38.487 0.016 0.000 1.066 14 N HN 0.200 nan 8.380 nan 0.000 0.474 15 P HA 0.014 nan 4.420 nan 0.000 0.227 15 P C 0.422 177.746 177.300 0.039 0.000 1.161 15 P CA 0.876 63.994 63.100 0.030 0.000 0.788 15 P CB 0.528 32.241 31.700 0.022 0.000 0.822 16 E N -0.028 120.196 120.200 0.041 0.000 2.072 16 E HA -0.052 4.298 4.350 -0.000 0.000 0.190 16 E C 2.103 178.743 176.600 0.067 0.000 0.982 16 E CA 0.655 57.084 56.400 0.047 0.000 0.803 16 E CB -0.998 28.726 29.700 0.040 0.000 0.755 16 E HN 0.154 nan 8.360 nan 0.000 0.453 17 L N 0.247 121.512 121.223 0.069 0.000 2.044 17 L HA -0.117 4.223 4.340 -0.000 0.000 0.205 17 L C 2.190 179.165 176.870 0.175 0.000 1.075 17 L CA 1.259 56.163 54.840 0.106 0.000 0.747 17 L CB -0.072 42.029 42.059 0.070 0.000 0.903 17 L HN 0.092 nan 8.230 nan 0.000 0.435 18 R N -0.009 120.558 120.500 0.112 0.000 2.127 18 R HA -0.250 4.089 4.340 -0.000 0.000 0.238 18 R C 2.201 178.546 176.300 0.074 0.000 1.134 18 R CA 1.790 57.943 56.100 0.089 0.000 0.975 18 R CB -0.190 30.140 30.300 0.050 0.000 0.865 18 R HN 0.199 nan 8.270 nan 0.000 0.447 19 K N 0.256 120.700 120.400 0.072 0.000 2.103 19 K HA -0.045 4.275 4.320 -0.000 0.000 0.204 19 K C 2.065 178.712 176.600 0.079 0.000 1.052 19 K CA 1.795 58.117 56.287 0.059 0.000 0.945 19 K CB -0.310 32.220 32.500 0.049 0.000 0.722 19 K HN -0.041 nan 8.250 nan 0.000 0.443 20 S N -0.415 115.364 115.700 0.132 0.000 2.382 20 S HA -0.061 4.408 4.470 -0.000 0.000 0.228 20 S C 1.971 176.671 174.600 0.167 0.000 1.027 20 S CA 1.173 59.487 58.200 0.191 0.000 0.991 20 S CB -0.562 62.794 63.200 0.261 0.000 0.823 20 S HN 0.492 nan 8.310 nan 0.000 0.469 21 A N 1.236 124.117 122.820 0.102 0.000 1.933 21 A HA 0.172 4.492 4.320 -0.000 0.000 0.218 21 A C 2.433 179.931 177.584 -0.143 0.000 1.175 21 A CA 1.842 53.717 52.037 -0.270 0.000 0.628 21 A CB -1.290 17.592 19.000 -0.197 0.000 0.814 21 A HN 0.731 nan 8.150 nan 0.000 0.444 22 A N 0.089 122.887 122.820 -0.037 0.000 1.902 22 A HA -0.173 4.147 4.320 -0.000 0.000 0.217 22 A C 1.764 179.348 177.584 -0.000 0.000 1.181 22 A CA 1.841 53.867 52.037 -0.017 0.000 0.623 22 A CB -0.571 18.431 19.000 0.003 0.000 0.818 22 A HN 0.452 nan 8.150 nan 0.000 0.443 23 D N -0.747 119.666 120.400 0.020 0.000 2.144 23 D HA -0.154 4.486 4.640 -0.000 0.000 0.199 23 D C 2.068 178.394 176.300 0.044 0.000 0.984 23 D CA 1.202 55.223 54.000 0.034 0.000 0.834 23 D CB -0.344 40.488 40.800 0.053 0.000 0.955 23 D HN 0.500 nan 8.370 nan 0.000 0.465 24 R N 0.743 121.264 120.500 0.035 0.000 2.066 24 R HA -0.136 4.204 4.340 -0.000 0.000 0.232 24 R C 1.327 177.717 176.300 0.150 0.000 1.131 24 R CA 1.430 57.583 56.100 0.088 0.000 0.955 24 R CB -0.007 30.277 30.300 -0.028 0.000 0.851 24 R HN 0.020 nan 8.270 nan 0.000 0.432 25 D N 0.484 120.906 120.400 0.035 0.000 2.123 25 D HA -0.147 4.493 4.640 -0.000 0.000 0.196 25 D C 1.754 178.104 176.300 0.084 0.000 0.992 25 D CA 1.585 55.612 54.000 0.045 0.000 0.833 25 D CB -0.341 40.445 40.800 -0.024 0.000 0.954 25 D HN 0.384 nan 8.370 nan 0.000 0.455 26 A N 1.023 123.873 122.820 0.050 0.000 1.902 26 A HA -0.066 4.254 4.320 -0.000 0.000 0.217 26 A C 2.322 179.928 177.584 0.037 0.000 1.181 26 A CA 2.346 54.404 52.037 0.035 0.000 0.623 26 A CB -0.744 18.267 19.000 0.018 0.000 0.818 26 A HN 0.246 nan 8.150 nan 0.000 0.443 27 A N -1.348 121.495 122.820 0.039 0.000 1.898 27 A HA 0.026 4.346 4.320 -0.000 0.000 0.216 27 A C 1.974 179.500 177.584 -0.095 0.000 1.181 27 A CA 1.446 53.462 52.037 -0.035 0.000 0.620 27 A CB -0.704 18.257 19.000 -0.066 0.000 0.819 27 A HN 0.453 nan 8.150 nan 0.000 0.442 28 F N -0.077 119.860 119.950 -0.021 0.000 2.102 28 F HA -0.126 4.401 4.527 -0.000 0.000 0.298 28 F C 2.405 178.193 175.800 -0.019 0.000 1.105 28 F CA 1.807 59.795 58.000 -0.019 0.000 1.239 28 F CB -0.301 38.684 39.000 -0.025 0.000 0.991 28 F HN 0.313 nan 8.300 nan 0.000 0.474 29 E N 1.001 121.288 120.200 0.146 0.000 2.160 29 E HA -0.249 4.101 4.350 -0.000 0.000 0.195 29 E C 1.942 178.558 176.600 0.026 0.000 0.991 29 E CA 1.395 57.839 56.400 0.072 0.000 0.810 29 E CB -0.341 29.387 29.700 0.047 0.000 0.742 29 E HN 0.277 nan 8.360 nan 0.000 0.466 30 K N -0.109 120.292 120.400 0.002 0.000 2.362 30 K HA -0.040 4.280 4.320 -0.000 0.000 0.200 30 K C 1.886 178.463 176.600 -0.039 0.000 1.046 30 K CA 0.907 57.179 56.287 -0.025 0.000 0.952 30 K CB -0.142 32.335 32.500 -0.039 0.000 0.753 30 K HN 0.231 nan 8.250 nan 0.000 0.466 31 I N 1.167 121.713 120.570 -0.040 0.000 2.264 31 I HA -0.334 3.835 4.170 -0.000 0.000 0.248 31 I C 1.530 177.631 176.117 -0.027 0.000 1.111 31 I CA 1.500 62.776 61.300 -0.041 0.000 1.382 31 I CB -0.416 37.569 38.000 -0.026 0.000 1.060 31 I HN 0.312 nan 8.210 nan 0.000 0.418 32 N N 0.415 119.108 118.700 -0.011 0.000 2.120 32 N HA -0.253 4.486 4.740 -0.000 0.000 0.188 32 N C 1.880 177.370 175.510 -0.033 0.000 1.024 32 N CA 1.207 54.248 53.050 -0.016 0.000 0.852 32 N CB -0.144 38.341 38.487 -0.003 0.000 1.003 32 N HN 0.412 nan 8.380 nan 0.000 0.424 33 E N 0.988 121.168 120.200 -0.033 0.000 2.106 33 E HA -0.131 4.219 4.350 -0.000 0.000 0.192 33 E C 1.868 178.433 176.600 -0.059 0.000 0.984 33 E CA 0.896 57.270 56.400 -0.042 0.000 0.806 33 E CB -0.018 29.661 29.700 -0.035 0.000 0.750 33 E HN 0.388 nan 8.360 nan 0.000 0.458 34 A N 1.229 124.011 122.820 -0.064 0.000 2.015 34 A HA -0.117 4.203 4.320 -0.000 0.000 0.219 34 A C 2.166 179.682 177.584 -0.114 0.000 1.163 34 A CA 1.151 53.140 52.037 -0.081 0.000 0.646 34 A CB -0.407 18.549 19.000 -0.073 0.000 0.806 34 A HN 0.186 nan 8.150 nan 0.000 0.448 35 R N 0.268 120.704 120.500 -0.106 0.000 2.153 35 R HA -0.085 4.255 4.340 -0.000 0.000 0.218 35 R C 2.369 178.573 176.300 -0.160 0.000 1.072 35 R CA 1.370 57.383 56.100 -0.146 0.000 0.990 35 R CB -0.224 30.019 30.300 -0.096 0.000 0.889 35 R HN 0.630 nan 8.270 nan 0.000 0.452 36 S N 0.827 116.458 115.700 -0.114 0.000 2.387 36 S HA -0.019 4.451 4.470 -0.000 0.000 0.230 36 S C -0.957 173.575 174.600 -0.114 0.000 1.035 36 S CA 0.766 58.908 58.200 -0.097 0.000 1.014 36 S CB -0.919 62.240 63.200 -0.068 0.000 0.836 36 S HN 0.259 nan 8.310 nan 0.000 0.466 37 P HA 0.129 nan 4.420 nan 0.000 0.230 37 P C 0.963 178.153 177.300 -0.184 0.000 1.158 37 P CA 0.664 63.678 63.100 -0.142 0.000 0.769 37 P CB -0.179 31.433 31.700 -0.146 0.000 0.807 38 L N -2.503 118.569 121.223 -0.253 0.000 2.592 38 L HA 0.095 4.434 4.340 -0.000 0.000 0.227 38 L C 0.585 177.346 176.870 -0.182 0.000 1.127 38 L CA 0.002 54.651 54.840 -0.319 0.000 0.884 38 L CB -0.163 41.552 42.059 -0.574 0.000 1.065 38 L HN -0.018 nan 8.230 nan 0.000 0.457 39 L N -0.967 120.180 121.223 -0.126 0.000 2.304 39 L HA 0.495 4.835 4.340 -0.000 0.000 0.268 39 L C -2.218 174.622 176.870 -0.050 0.000 1.010 39 L CA -1.864 52.933 54.840 -0.072 0.000 0.813 39 L CB 0.496 42.518 42.059 -0.062 0.000 1.315 39 L HN -0.292 nan 8.230 nan 0.000 0.445 40 P HA 0.102 nan 4.420 nan 0.000 0.267 40 P C -1.397 175.890 177.300 -0.021 0.000 1.205 40 P CA -0.222 62.867 63.100 -0.018 0.000 0.765 40 P CB 0.347 32.042 31.700 -0.007 0.000 0.828 41 Q N 2.603 122.391 119.800 -0.020 0.000 2.325 41 Q HA 0.499 4.839 4.340 -0.000 0.000 0.262 41 Q C -0.889 175.105 176.000 -0.010 0.000 0.968 41 Q CA -0.671 55.121 55.803 -0.019 0.000 0.877 41 Q CB 1.998 30.722 28.738 -0.023 0.000 1.253 41 Q HN 0.324 nan 8.270 nan 0.000 0.448 42 L N 1.532 122.750 121.223 -0.008 0.000 2.404 42 L HA 0.774 5.113 4.340 -0.000 0.000 0.272 42 L C -0.656 176.212 176.870 -0.003 0.000 0.980 42 L CA -0.085 54.753 54.840 -0.004 0.000 0.836 42 L CB 1.822 43.879 42.059 -0.002 0.000 1.238 42 L HN 0.607 nan 8.230 nan 0.000 0.408 43 G N 3.694 112.493 108.800 -0.001 0.000 2.533 43 G HA2 0.595 4.555 3.960 -0.000 0.000 0.304 43 G HA3 0.595 4.555 3.960 -0.000 0.000 0.304 43 G C -2.109 172.793 174.900 0.003 0.000 1.263 43 G CA -0.707 44.392 45.100 -0.000 0.000 0.964 43 G HN 0.606 nan 8.290 nan 0.000 0.479 44 L N 1.400 122.625 121.223 0.004 0.000 2.305 44 L HA 0.822 5.162 4.340 -0.000 0.000 0.284 44 L C 0.346 177.220 176.870 0.008 0.000 1.013 44 L CA -0.365 54.479 54.840 0.006 0.000 0.819 44 L CB 1.294 43.356 42.059 0.006 0.000 1.227 44 L HN 0.687 nan 8.230 nan 0.000 0.417 45 G N 3.485 112.291 108.800 0.010 0.000 2.473 45 G HA2 0.884 4.843 3.960 -0.000 0.000 0.321 45 G HA3 0.884 4.843 3.960 -0.000 0.000 0.321 45 G C -1.643 173.267 174.900 0.016 0.000 1.200 45 G CA -0.270 44.837 45.100 0.012 0.000 0.963 45 G HN 1.111 nan 8.290 nan 0.000 0.483 46 A N 1.288 124.121 122.820 0.021 0.000 2.565 46 A HA 0.686 5.006 4.320 -0.000 0.000 0.298 46 A C -1.311 176.298 177.584 0.041 0.000 1.062 46 A CA -0.669 51.386 52.037 0.029 0.000 0.723 46 A CB 1.411 20.427 19.000 0.028 0.000 1.282 46 A HN 0.922 nan 8.150 nan 0.000 0.400 47 D N 0.054 120.486 120.400 0.053 0.000 2.626 47 D HA 0.584 5.224 4.640 -0.000 0.000 0.278 47 D C -1.334 175.044 176.300 0.131 0.000 1.211 47 D CA -0.314 53.733 54.000 0.079 0.000 0.903 47 D CB 1.899 42.730 40.800 0.050 0.000 1.408 47 D HN 0.674 nan 8.370 nan 0.000 0.454 48 Y N -0.253 120.052 120.300 0.009 0.000 2.421 48 Y HA 0.485 5.034 4.550 -0.001 0.000 0.339 48 Y C -1.680 174.235 175.900 0.024 0.000 0.996 48 Y CA -0.128 57.981 58.100 0.014 0.000 1.046 48 Y CB 2.459 40.928 38.460 0.015 0.000 1.226 48 Y HN 0.422 nan 8.280 nan 0.000 0.445 49 T N 6.205 120.322 114.554 -0.729 0.000 2.921 49 T HA 0.265 4.615 4.350 -0.000 0.000 0.297 49 T C -2.035 172.289 174.700 -0.626 0.000 1.013 49 T CA -0.546 61.242 62.100 -0.520 0.000 0.990 49 T CB 0.981 69.698 68.868 -0.252 0.000 1.023 49 T HN 0.583 nan 8.240 nan 0.000 0.447 50 Y N 2.309 122.337 120.300 -0.454 0.000 2.335 50 Y HA 0.600 5.150 4.550 -0.001 0.000 0.338 50 Y C -0.453 175.371 175.900 -0.127 0.000 0.977 50 Y CA -0.432 57.514 58.100 -0.256 0.000 1.114 50 Y CB 1.060 39.487 38.460 -0.055 0.000 1.182 50 Y HN 0.673 nan 8.280 nan 0.000 0.463 51 S N 5.975 121.126 115.700 -0.915 0.000 2.536 51 S HA 0.409 4.879 4.470 -0.000 0.000 0.298 51 S C -1.313 172.787 174.600 -0.834 0.000 1.083 51 S CA -1.131 56.664 58.200 -0.674 0.000 0.995 51 S CB 1.533 64.527 63.200 -0.344 0.000 1.058 51 S HN 0.753 nan 8.310 nan 0.000 0.488 52 N N 1.346 119.781 118.700 -0.441 0.000 2.577 52 N HA 0.258 4.998 4.740 -0.000 0.000 0.275 52 N C -0.048 175.442 175.510 -0.032 0.000 1.091 52 N CA -0.341 52.580 53.050 -0.215 0.000 0.843 52 N CB 1.475 39.921 38.487 -0.069 0.000 1.295 52 N HN 0.789 nan 8.380 nan 0.000 0.530 53 G N 1.866 110.637 108.800 -0.047 0.000 2.636 53 G HA2 0.361 4.320 3.960 -0.000 0.000 0.246 53 G HA3 0.361 4.320 3.960 -0.000 0.000 0.246 53 G C -0.836 174.125 174.900 0.101 0.000 1.216 53 G CA 0.187 45.262 45.100 -0.043 0.000 0.854 53 G HN 0.726 nan 8.290 nan 0.000 0.572 54 Y N -2.445 117.834 120.300 -0.035 0.000 2.779 54 Y HA 0.608 5.159 4.550 0.000 0.000 0.340 54 Y C 0.112 176.002 175.900 -0.016 0.000 1.252 54 Y CA -1.342 56.745 58.100 -0.022 0.000 1.072 54 Y CB 0.784 39.234 38.460 -0.016 0.000 1.343 54 Y HN 0.809 nan 8.280 nan 0.000 0.450 55 R N 2.861 123.536 120.500 0.291 0.000 2.672 55 R HA -0.261 4.078 4.340 -0.000 0.000 0.268 55 R C -0.167 176.148 176.300 0.026 0.000 0.935 55 R CA 1.696 57.888 56.100 0.154 0.000 0.776 55 R CB -1.324 29.106 30.300 0.217 0.000 1.954 55 R HN 1.078 nan 8.270 nan 0.000 0.523 56 D N -0.479 119.935 120.400 0.023 0.000 2.876 56 D HA -0.218 4.422 4.640 -0.000 0.000 0.196 56 D C -0.156 176.133 176.300 -0.019 0.000 1.014 56 D CA 1.579 55.579 54.000 -0.001 0.000 1.012 56 D CB -0.965 39.831 40.800 -0.007 0.000 1.080 56 D HN 0.751 nan 8.370 nan 0.000 0.438 57 A N -0.133 122.669 122.820 -0.031 0.000 2.665 57 A HA 0.171 4.490 4.320 -0.000 0.000 0.268 57 A C 0.278 177.839 177.584 -0.039 0.000 1.044 57 A CA 0.180 52.185 52.037 -0.053 0.000 0.993 57 A CB 0.300 19.249 19.000 -0.085 0.000 1.229 57 A HN 0.174 nan 8.150 nan 0.000 0.576 58 N N 1.081 119.785 118.700 0.008 0.000 2.412 58 N HA 0.323 5.063 4.740 -0.000 0.000 0.254 58 N C 1.264 176.770 175.510 -0.006 0.000 1.232 58 N CA 2.170 55.240 53.050 0.034 0.000 0.880 58 N CB 0.502 39.024 38.487 0.058 0.000 1.076 58 N HN 1.015 nan 8.380 nan 0.000 0.458 59 G N 2.661 111.455 108.800 -0.009 0.000 2.176 59 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.232 59 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.232 59 G C 0.143 174.995 174.900 -0.080 0.000 0.986 59 G CA 0.202 45.284 45.100 -0.031 0.000 0.643 59 G HN 0.674 nan 8.290 nan 0.000 0.522 60 I N 1.413 121.918 120.570 -0.108 0.000 2.382 60 I HA 0.508 4.678 4.170 -0.000 0.000 0.285 60 I C -0.648 175.417 176.117 -0.087 0.000 1.007 60 I CA -0.900 60.297 61.300 -0.172 0.000 1.142 60 I CB 0.504 38.291 38.000 -0.355 0.000 1.289 60 I HN 0.227 nan 8.210 nan 0.000 0.453 61 N N 4.589 123.266 118.700 -0.039 0.000 2.381 61 N HA 0.731 5.471 4.740 -0.000 0.000 0.294 61 N C -1.388 174.089 175.510 -0.056 0.000 1.216 61 N CA -0.734 52.277 53.050 -0.065 0.000 0.803 61 N CB 2.108 40.604 38.487 0.016 0.000 1.372 61 N HN 0.603 nan 8.380 nan 0.000 0.500 62 S N -0.340 115.252 115.700 -0.180 0.000 2.587 62 S HA 0.549 5.019 4.470 -0.000 0.000 0.269 62 S C -2.061 172.439 174.600 -0.166 0.000 1.154 62 S CA -1.158 56.897 58.200 -0.242 0.000 0.824 62 S CB 1.371 64.264 63.200 -0.512 0.000 1.118 62 S HN 0.761 nan 8.310 nan 0.000 0.462 63 N N -0.234 118.378 118.700 -0.147 0.000 2.500 63 N HA 0.686 5.426 4.740 -0.000 0.000 0.291 63 N C -0.945 174.448 175.510 -0.195 0.000 1.092 63 N CA -0.536 52.428 53.050 -0.143 0.000 0.890 63 N CB 1.662 40.194 38.487 0.076 0.000 1.466 63 N HN 1.001 nan 8.380 nan 0.000 0.507 64 A N 1.128 123.778 122.820 -0.284 0.000 2.320 64 A HA 0.875 5.195 4.320 -0.000 0.000 0.334 64 A C -0.489 177.020 177.584 -0.126 0.000 1.147 64 A CA -0.493 51.434 52.037 -0.183 0.000 0.820 64 A CB 1.228 20.125 19.000 -0.173 0.000 1.218 64 A HN 0.598 nan 8.150 nan 0.000 0.482 65 T N 1.221 115.767 114.554 -0.014 0.000 2.921 65 T HA 0.669 5.019 4.350 -0.000 0.000 0.297 65 T C -0.597 174.121 174.700 0.031 0.000 1.013 65 T CA -0.257 61.881 62.100 0.063 0.000 0.990 65 T CB 1.248 70.187 68.868 0.118 0.000 1.023 65 T HN 1.087 nan 8.240 nan 0.000 0.447 66 S N 1.246 116.966 115.700 0.034 0.000 2.588 66 S HA 0.975 5.445 4.470 -0.000 0.000 0.275 66 S C -1.216 173.401 174.600 0.028 0.000 1.130 66 S CA -1.084 57.130 58.200 0.023 0.000 0.855 66 S CB 2.153 65.360 63.200 0.010 0.000 1.116 66 S HN 1.107 nan 8.310 nan 0.000 0.472 67 A N 0.905 123.738 122.820 0.022 0.000 2.555 67 A HA 0.874 5.193 4.320 -0.000 0.000 0.297 67 A C -0.640 176.954 177.584 0.016 0.000 1.060 67 A CA -0.448 51.601 52.037 0.021 0.000 0.710 67 A CB 1.093 20.106 19.000 0.022 0.000 1.282 67 A HN 1.993 nan 8.150 nan 0.000 0.399 68 S N 1.087 116.795 115.700 0.014 0.000 2.565 68 S HA 0.757 5.226 4.470 -0.000 0.000 0.269 68 S C -1.250 173.356 174.600 0.010 0.000 1.153 68 S CA -0.813 57.394 58.200 0.012 0.000 0.835 68 S CB 1.031 64.238 63.200 0.011 0.000 1.122 68 S HN 0.828 nan 8.310 nan 0.000 0.462 69 L N 1.878 123.107 121.223 0.009 0.000 2.272 69 L HA 0.506 4.846 4.340 -0.000 0.000 0.289 69 L C -0.144 176.730 176.870 0.008 0.000 1.032 69 L CA -0.403 54.442 54.840 0.008 0.000 0.810 69 L CB 1.393 43.457 42.059 0.007 0.000 1.205 69 L HN 0.713 nan 8.230 nan 0.000 0.422 70 Q N 4.069 123.872 119.800 0.006 0.000 2.345 70 Q HA 0.709 5.048 4.340 -0.000 0.000 0.268 70 Q C -1.195 174.808 176.000 0.005 0.000 1.054 70 Q CA -0.801 55.006 55.803 0.006 0.000 0.835 70 Q CB 3.509 32.250 28.738 0.006 0.000 1.339 70 Q HN 0.473 nan 8.270 nan 0.000 0.447 71 L N 0.786 122.013 121.223 0.006 0.000 2.436 71 L HA 0.659 4.999 4.340 -0.000 0.000 0.268 71 L C -1.139 175.735 176.870 0.006 0.000 0.974 71 L CA -0.199 54.644 54.840 0.005 0.000 0.826 71 L CB 2.319 44.383 42.059 0.007 0.000 1.291 71 L HN 0.806 nan 8.230 nan 0.000 0.406 72 T N 1.044 115.599 114.554 0.002 0.000 2.887 72 T HA 0.755 5.105 4.350 -0.000 0.000 0.288 72 T C -0.810 173.890 174.700 0.000 0.000 1.021 72 T CA -0.627 61.475 62.100 0.003 0.000 1.000 72 T CB 1.860 70.727 68.868 -0.002 0.000 1.034 72 T HN 0.655 nan 8.240 nan 0.000 0.467 73 Q N 1.258 121.063 119.800 0.008 0.000 2.280 73 Q HA 0.496 4.835 4.340 -0.000 0.000 0.259 73 Q C -1.013 174.999 176.000 0.020 0.000 0.964 73 Q CA -0.291 55.517 55.803 0.008 0.000 0.844 73 Q CB 2.271 31.020 28.738 0.019 0.000 1.334 73 Q HN 0.839 nan 8.270 nan 0.000 0.423 74 S N 4.641 120.342 115.700 0.003 0.000 2.531 74 S HA 0.345 4.815 4.470 -0.000 0.000 0.279 74 S C 0.616 175.263 174.600 0.077 0.000 1.305 74 S CA -0.337 57.873 58.200 0.017 0.000 1.058 74 S CB 0.210 63.380 63.200 -0.050 0.000 0.899 74 S HN 0.674 nan 8.310 nan 0.000 0.493 75 I N 3.208 123.856 120.570 0.129 0.000 3.136 75 I HA 0.327 4.496 4.170 -0.000 0.000 0.262 75 I C 0.159 176.461 176.117 0.308 0.000 1.132 75 I CA 0.646 62.061 61.300 0.193 0.000 1.450 75 I CB -0.407 37.699 38.000 0.176 0.000 1.315 75 I HN 0.632 nan 8.210 nan 0.000 0.460 76 F N 1.788 121.816 119.950 0.129 0.000 2.612 76 F HA 0.520 5.047 4.527 -0.000 0.000 0.332 76 F C -0.948 174.927 175.800 0.124 0.000 1.167 76 F CA -0.525 57.564 58.000 0.149 0.000 0.970 76 F CB 1.009 40.076 39.000 0.112 0.000 1.234 76 F HN -0.085 nan 8.300 nan 0.000 0.453 80 K N 0.420 120.748 120.400 -0.120 0.000 2.167 80 K HA 0.198 4.517 4.320 -0.000 0.000 0.203 80 K C 1.301 177.742 176.600 -0.265 0.000 1.052 80 K CA 1.368 57.527 56.287 -0.214 0.000 0.956 80 K CB -0.186 32.131 32.500 -0.304 0.000 0.735 80 K HN 0.510 nan 8.250 nan 0.000 0.451 81 W N 1.037 122.271 121.300 -0.109 0.000 2.409 81 W HA -0.062 4.597 4.660 -0.000 0.000 0.299 81 W C 2.387 178.864 176.519 -0.070 0.000 1.203 81 W CA 0.477 57.771 57.345 -0.085 0.000 1.298 81 W CB -0.038 29.364 29.460 -0.096 0.000 1.127 81 W HN -0.033 nan 8.180 nan 0.000 0.528 82 R N 1.040 121.620 120.500 0.133 0.000 2.091 82 R HA -0.137 4.203 4.340 -0.000 0.000 0.238 82 R C 2.167 178.477 176.300 0.015 0.000 1.136 82 R CA 2.030 58.166 56.100 0.059 0.000 0.959 82 R CB -1.056 29.256 30.300 0.021 0.000 0.856 82 R HN 0.077 nan 8.270 nan 0.000 0.437 83 A N 0.284 123.092 122.820 -0.021 0.000 1.933 83 A HA -0.135 4.184 4.320 -0.000 0.000 0.218 83 A C 2.024 179.582 177.584 -0.043 0.000 1.175 83 A CA 1.502 53.514 52.037 -0.042 0.000 0.628 83 A CB -0.681 18.279 19.000 -0.067 0.000 0.814 83 A HN 0.368 nan 8.150 nan 0.000 0.444 84 L N 0.530 121.726 121.223 -0.045 0.000 2.056 84 L HA -0.123 4.217 4.340 -0.000 0.000 0.207 84 L C 2.697 179.567 176.870 0.000 0.000 1.078 84 L CA 3.039 57.857 54.840 -0.037 0.000 0.749 84 L CB -1.063 40.968 42.059 -0.047 0.000 0.901 84 L HN 0.553 nan 8.230 nan 0.000 0.433 85 T N -3.415 111.161 114.554 0.036 0.000 2.904 85 T HA -0.122 4.227 4.350 -0.000 0.000 0.267 85 T C 1.933 176.633 174.700 0.001 0.000 1.059 85 T CA 0.995 63.115 62.100 0.033 0.000 1.137 85 T CB -0.573 68.328 68.868 0.054 0.000 0.879 85 T HN 0.176 nan 8.240 nan 0.000 0.467 86 L N 1.372 122.591 121.223 -0.007 0.000 2.017 86 L HA 0.039 4.378 4.340 -0.000 0.000 0.208 86 L C 2.849 179.695 176.870 -0.040 0.000 1.073 86 L CA 1.662 56.491 54.840 -0.019 0.000 0.745 86 L CB -1.563 40.486 42.059 -0.018 0.000 0.894 86 L HN 0.314 nan 8.230 nan 0.000 0.432 87 Q N -0.054 119.715 119.800 -0.051 0.000 2.119 87 Q HA -0.184 4.156 4.340 -0.000 0.000 0.201 87 Q C 2.071 178.002 176.000 -0.116 0.000 0.972 87 Q CA 1.605 57.359 55.803 -0.080 0.000 0.847 87 Q CB -0.033 28.658 28.738 -0.077 0.000 0.903 87 Q HN 0.556 nan 8.270 nan 0.000 0.433 88 E N -0.298 119.849 120.200 -0.088 0.000 2.106 88 E HA -0.158 4.192 4.350 -0.000 0.000 0.192 88 E C 1.901 178.428 176.600 -0.122 0.000 0.984 88 E CA 1.026 57.358 56.400 -0.113 0.000 0.806 88 E CB -0.004 29.672 29.700 -0.041 0.000 0.750 88 E HN 0.290 nan 8.360 nan 0.000 0.458 89 K N 0.498 120.856 120.400 -0.071 0.000 2.097 89 K HA -0.055 4.265 4.320 -0.000 0.000 0.205 89 K C 2.179 178.736 176.600 -0.071 0.000 1.050 89 K CA 0.901 57.158 56.287 -0.050 0.000 0.938 89 K CB -0.054 32.436 32.500 -0.017 0.000 0.718 89 K HN 0.038 nan 8.250 nan 0.000 0.442 90 A N 1.510 124.277 122.820 -0.090 0.000 1.902 90 A HA -0.131 4.188 4.320 -0.000 0.000 0.217 90 A C 2.348 179.836 177.584 -0.160 0.000 1.181 90 A CA 1.860 53.841 52.037 -0.094 0.000 0.623 90 A CB -0.632 18.319 19.000 -0.083 0.000 0.818 90 A HN 0.330 nan 8.150 nan 0.000 0.443 91 A N -0.483 122.153 122.820 -0.307 0.000 1.902 91 A HA 0.142 4.461 4.320 -0.000 0.000 0.217 91 A C 2.403 179.758 177.584 -0.382 0.000 1.181 91 A CA 1.865 53.538 52.037 -0.606 0.000 0.623 91 A CB -1.351 16.811 19.000 -1.396 0.000 0.818 91 A HN 0.715 nan 8.150 nan 0.000 0.443 92 G N 0.041 108.718 108.800 -0.205 0.000 2.418 92 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.217 92 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.217 92 G C 1.526 176.446 174.900 0.033 0.000 1.158 92 G CA 1.138 46.230 45.100 -0.013 0.000 0.771 92 G HN 0.472 nan 8.290 nan 0.000 0.545 93 I N -0.074 120.497 120.570 0.001 0.000 2.226 93 I HA -0.179 3.991 4.170 -0.000 0.000 0.245 93 I C 2.878 179.027 176.117 0.053 0.000 1.100 93 I CA 1.155 62.471 61.300 0.027 0.000 1.374 93 I CB -0.124 37.882 38.000 0.009 0.000 1.057 93 I HN 0.139 nan 8.210 nan 0.000 0.413 94 Q N 0.807 120.633 119.800 0.043 0.000 2.124 94 Q HA -0.264 4.075 4.340 -0.000 0.000 0.202 94 Q C 1.650 177.755 176.000 0.176 0.000 0.977 94 Q CA 1.878 57.734 55.803 0.089 0.000 0.850 94 Q CB -0.342 28.430 28.738 0.057 0.000 0.901 94 Q HN 0.430 nan 8.270 nan 0.000 0.429 95 D N -1.580 118.955 120.400 0.225 0.000 2.117 95 D HA -0.111 4.528 4.640 -0.000 0.000 0.197 95 D C 1.621 178.057 176.300 0.226 0.000 0.987 95 D CA 1.085 55.259 54.000 0.290 0.000 0.829 95 D CB 0.133 41.139 40.800 0.343 0.000 0.961 95 D HN 0.152 nan 8.370 nan 0.000 0.460 96 V N -0.125 119.883 119.914 0.157 0.000 2.453 96 V HA -0.175 3.944 4.120 -0.000 0.000 0.247 96 V C 2.634 178.789 176.094 0.101 0.000 1.048 96 V CA 1.953 64.320 62.300 0.112 0.000 1.049 96 V CB -0.795 31.075 31.823 0.079 0.000 0.672 96 V HN 0.438 nan 8.190 nan 0.000 0.457 97 T N -1.186 113.435 114.554 0.111 0.000 2.833 97 T HA -0.291 4.058 4.350 -0.000 0.000 0.269 97 T C 1.865 176.642 174.700 0.129 0.000 1.054 97 T CA 1.847 64.007 62.100 0.098 0.000 1.135 97 T CB -0.417 68.501 68.868 0.084 0.000 0.869 97 T HN 0.530 nan 8.240 nan 0.000 0.466 98 Y N 1.492 121.827 120.300 0.058 0.000 2.181 98 Y HA -0.024 4.526 4.550 -0.000 0.000 0.288 98 Y C 2.603 178.531 175.900 0.047 0.000 1.146 98 Y CA 1.727 59.859 58.100 0.054 0.000 1.164 98 Y CB -0.485 38.012 38.460 0.062 0.000 0.982 98 Y HN 0.359 nan 8.280 nan 0.000 0.515 99 Q N -1.183 118.623 119.800 0.009 0.000 2.119 99 Q HA -0.152 4.188 4.340 -0.000 0.000 0.201 99 Q C 2.092 178.036 176.000 -0.092 0.000 0.972 99 Q CA 1.951 57.714 55.803 -0.068 0.000 0.847 99 Q CB -0.197 28.559 28.738 0.030 0.000 0.903 99 Q HN 0.416 nan 8.270 nan 0.000 0.433 100 T N 1.236 115.765 114.554 -0.042 0.000 2.746 100 T HA -0.132 4.218 4.350 -0.000 0.000 0.267 100 T C 1.030 175.694 174.700 -0.059 0.000 1.039 100 T CA 1.487 63.569 62.100 -0.031 0.000 1.142 100 T CB -0.206 68.663 68.868 0.003 0.000 0.866 100 T HN 0.242 nan 8.240 nan 0.000 0.444 101 D N 1.001 121.345 120.400 -0.094 0.000 2.224 101 D HA -0.016 4.623 4.640 -0.000 0.000 0.205 101 D C 2.297 178.502 176.300 -0.158 0.000 0.965 101 D CA 0.689 54.629 54.000 -0.100 0.000 0.852 101 D CB -0.244 40.516 40.800 -0.067 0.000 0.947 101 D HN 0.447 nan 8.370 nan 0.000 0.494 102 Q N 0.199 119.832 119.800 -0.278 0.000 2.079 102 Q HA -0.151 4.189 4.340 -0.000 0.000 0.200 102 Q C 2.133 178.085 176.000 -0.080 0.000 0.974 102 Q CA 1.012 56.681 55.803 -0.225 0.000 0.840 102 Q CB -0.021 28.548 28.738 -0.281 0.000 0.898 102 Q HN 0.335 nan 8.270 nan 0.000 0.430 103 Q N -0.207 119.545 119.800 -0.079 0.000 2.172 103 Q HA -0.111 4.229 4.340 -0.000 0.000 0.200 103 Q C 1.634 177.614 176.000 -0.033 0.000 0.964 103 Q CA 1.329 57.102 55.803 -0.051 0.000 0.855 103 Q CB 0.214 28.925 28.738 -0.045 0.000 0.918 103 Q HN 0.254 nan 8.270 nan 0.000 0.444 104 T N 1.586 116.124 114.554 -0.026 0.000 2.788 104 T HA -0.148 4.202 4.350 -0.000 0.000 0.268 104 T C 1.677 176.386 174.700 0.015 0.000 1.044 104 T CA 1.147 63.244 62.100 -0.005 0.000 1.139 104 T CB -0.206 68.660 68.868 -0.003 0.000 0.867 104 T HN 0.252 nan 8.240 nan 0.000 0.454 105 L N 0.985 122.225 121.223 0.029 0.000 2.046 105 L HA 0.040 4.380 4.340 -0.000 0.000 0.208 105 L C 2.089 179.027 176.870 0.115 0.000 1.077 105 L CA 1.551 56.443 54.840 0.086 0.000 0.747 105 L CB -0.569 41.560 42.059 0.117 0.000 0.896 105 L HN 0.265 nan 8.230 nan 0.000 0.432 106 I N -1.171 119.428 120.570 0.049 0.000 2.179 106 I HA -0.280 3.889 4.170 -0.000 0.000 0.242 106 I C 2.360 178.432 176.117 -0.075 0.000 1.088 106 I CA 1.204 62.429 61.300 -0.126 0.000 1.357 106 I CB -0.442 37.405 38.000 -0.255 0.000 1.051 106 I HN 0.329 nan 8.210 nan 0.000 0.409 107 L N 1.052 122.254 121.223 -0.034 0.000 2.017 107 L HA -0.222 4.117 4.340 -0.000 0.000 0.208 107 L C 1.993 178.880 176.870 0.028 0.000 1.073 107 L CA 2.026 56.864 54.840 -0.004 0.000 0.745 107 L CB -0.995 41.065 42.059 0.001 0.000 0.894 107 L HN 0.233 nan 8.230 nan 0.000 0.432 108 N N -1.890 116.831 118.700 0.035 0.000 2.223 108 N HA -0.161 4.579 4.740 -0.000 0.000 0.185 108 N C 1.390 176.936 175.510 0.061 0.000 1.016 108 N CA 1.484 54.564 53.050 0.049 0.000 0.863 108 N CB -0.018 38.498 38.487 0.049 0.000 0.983 108 N HN 0.416 nan 8.380 nan 0.000 0.429 109 T N 0.406 115.000 114.554 0.068 0.000 2.851 109 T HA 0.019 4.369 4.350 -0.000 0.000 0.262 109 T C 2.061 176.783 174.700 0.036 0.000 1.043 109 T CA 0.964 63.112 62.100 0.081 0.000 1.140 109 T CB -0.128 68.836 68.868 0.161 0.000 0.872 109 T HN 0.271 nan 8.240 nan 0.000 0.446 110 A N 1.320 124.139 122.820 -0.003 0.000 1.929 110 A HA -0.060 4.260 4.320 -0.000 0.000 0.216 110 A C 2.514 180.160 177.584 0.102 0.000 1.176 110 A CA 1.781 53.792 52.037 -0.043 0.000 0.628 110 A CB -1.169 17.834 19.000 0.004 0.000 0.816 110 A HN 0.438 nan 8.150 nan 0.000 0.444 111 T N 0.531 115.170 114.554 0.141 0.000 2.652 111 T HA -0.097 4.253 4.350 -0.000 0.000 0.267 111 T C 2.220 176.994 174.700 0.123 0.000 1.039 111 T CA 1.806 64.007 62.100 0.168 0.000 1.153 111 T CB -0.482 68.450 68.868 0.107 0.000 0.863 111 T HN 0.590 nan 8.240 nan 0.000 0.428 112 A N 0.118 122.984 122.820 0.076 0.000 1.972 112 A HA -0.072 4.248 4.320 -0.000 0.000 0.219 112 A C 2.083 179.668 177.584 0.002 0.000 1.169 112 A CA 1.405 53.467 52.037 0.041 0.000 0.635 112 A CB -0.913 18.114 19.000 0.045 0.000 0.810 112 A HN 0.611 nan 8.150 nan 0.000 0.446 113 Y N -0.695 119.508 120.300 -0.161 0.000 2.163 113 Y HA -0.170 4.379 4.550 -0.000 0.000 0.288 113 Y C 1.913 177.629 175.900 -0.307 0.000 1.136 113 Y CA 1.928 59.851 58.100 -0.295 0.000 1.147 113 Y CB -0.410 37.765 38.460 -0.475 0.000 0.987 113 Y HN 0.303 nan 8.280 nan 0.000 0.509 114 F N 0.267 120.294 119.950 0.127 0.000 2.293 114 F HA -0.170 4.357 4.527 -0.000 0.000 0.300 114 F C 2.027 177.653 175.800 -0.290 0.000 1.086 114 F CA 1.363 59.335 58.000 -0.047 0.000 1.375 114 F CB -0.425 38.643 39.000 0.113 0.000 1.045 114 F HN 0.154 nan 8.300 nan 0.000 0.516 115 N N -0.118 118.567 118.700 -0.026 0.000 2.244 115 N HA -0.132 4.608 4.740 -0.000 0.000 0.183 115 N C 1.791 177.209 175.510 -0.153 0.000 1.016 115 N CA 0.803 53.802 53.050 -0.086 0.000 0.866 115 N CB -0.059 38.411 38.487 -0.029 0.000 0.980 115 N HN 0.021 nan 8.380 nan 0.000 0.430 116 V N 1.646 121.447 119.914 -0.187 0.000 2.307 116 V HA -0.177 3.943 4.120 -0.000 0.000 0.245 116 V C 2.187 178.130 176.094 -0.252 0.000 1.045 116 V CA 1.355 63.526 62.300 -0.216 0.000 1.024 116 V CB -0.475 31.183 31.823 -0.275 0.000 0.651 116 V HN 0.312 nan 8.190 nan 0.000 0.449 117 L N 0.260 121.290 121.223 -0.322 0.000 2.083 117 L HA -0.174 4.165 4.340 -0.000 0.000 0.209 117 L C 2.506 179.163 176.870 -0.355 0.000 1.083 117 L CA 1.546 56.221 54.840 -0.275 0.000 0.752 117 L CB -0.751 41.220 42.059 -0.146 0.000 0.899 117 L HN 0.408 nan 8.230 nan 0.000 0.433 118 N N 0.570 118.906 118.700 -0.606 0.000 2.142 118 N HA -0.137 4.602 4.740 -0.000 0.000 0.186 118 N C 1.797 177.214 175.510 -0.155 0.000 1.023 118 N CA 1.611 54.385 53.050 -0.460 0.000 0.852 118 N CB 0.023 38.260 38.487 -0.417 0.000 0.998 118 N HN 0.278 nan 8.380 nan 0.000 0.424 119 A N 0.605 123.339 122.820 -0.143 0.000 1.969 119 A HA -0.009 4.310 4.320 -0.000 0.000 0.218 119 A C 2.411 179.951 177.584 -0.074 0.000 1.169 119 A CA 0.682 52.671 52.037 -0.080 0.000 0.635 119 A CB -0.540 18.417 19.000 -0.071 0.000 0.810 119 A HN 0.338 nan 8.150 nan 0.000 0.445 120 I N -0.191 120.319 120.570 -0.100 0.000 2.226 120 I HA -0.235 3.934 4.170 -0.000 0.000 0.245 120 I C 1.862 177.921 176.117 -0.096 0.000 1.100 120 I CA 1.432 62.678 61.300 -0.091 0.000 1.374 120 I CB -0.318 37.623 38.000 -0.099 0.000 1.057 120 I HN 0.238 nan 8.210 nan 0.000 0.413 121 D N 0.325 120.678 120.400 -0.079 0.000 2.117 121 D HA -0.131 4.508 4.640 -0.000 0.000 0.197 121 D C 2.372 178.620 176.300 -0.087 0.000 0.987 121 D CA 1.104 55.027 54.000 -0.128 0.000 0.829 121 D CB -0.294 40.547 40.800 0.069 0.000 0.961 121 D HN 0.104 nan 8.370 nan 0.000 0.460 122 V N 1.130 121.070 119.914 0.043 0.000 2.332 122 V HA -0.230 3.890 4.120 -0.000 0.000 0.248 122 V C 2.483 178.605 176.094 0.047 0.000 1.055 122 V CA 1.267 63.627 62.300 0.099 0.000 1.038 122 V CB -0.445 31.413 31.823 0.058 0.000 0.651 122 V HN 0.153 nan 8.190 nan 0.000 0.450 123 L N -0.009 121.204 121.223 -0.016 0.000 2.056 123 L HA -0.082 4.257 4.340 -0.000 0.000 0.207 123 L C 2.586 179.423 176.870 -0.056 0.000 1.078 123 L CA 2.405 57.226 54.840 -0.033 0.000 0.749 123 L CB -0.692 41.341 42.059 -0.043 0.000 0.901 123 L HN 0.318 nan 8.230 nan 0.000 0.433 124 S N -1.638 113.993 115.700 -0.115 0.000 2.383 124 S HA -0.194 4.276 4.470 -0.000 0.000 0.227 124 S C 2.031 176.550 174.600 -0.134 0.000 1.026 124 S CA 1.059 59.161 58.200 -0.162 0.000 0.981 124 S CB -0.498 62.548 63.200 -0.257 0.000 0.818 124 S HN 0.572 nan 8.310 nan 0.000 0.472 125 Y N 2.119 122.437 120.300 0.030 0.000 2.242 125 Y HA 0.016 4.566 4.550 -0.000 0.000 0.291 125 Y C 2.972 178.832 175.900 -0.067 0.000 1.137 125 Y CA 1.283 59.421 58.100 0.064 0.000 1.181 125 Y CB -1.299 37.241 38.460 0.133 0.000 0.989 125 Y HN 0.273 nan 8.280 nan 0.000 0.527 126 T N -0.285 114.317 114.554 0.080 0.000 2.777 126 T HA -0.195 4.155 4.350 -0.000 0.000 0.266 126 T C 1.811 176.460 174.700 -0.086 0.000 1.040 126 T CA 1.564 63.652 62.100 -0.020 0.000 1.141 126 T CB -0.226 68.636 68.868 -0.011 0.000 0.868 126 T HN 0.402 nan 8.240 nan 0.000 0.444 127 Q N 0.573 120.335 119.800 -0.064 0.000 2.119 127 Q HA 0.028 4.368 4.340 -0.000 0.000 0.201 127 Q C 2.737 178.684 176.000 -0.089 0.000 0.972 127 Q CA 1.286 57.047 55.803 -0.069 0.000 0.847 127 Q CB -0.298 28.408 28.738 -0.054 0.000 0.903 127 Q HN 0.542 nan 8.270 nan 0.000 0.433 128 A N 1.087 123.850 122.820 -0.096 0.000 1.902 128 A HA -0.269 4.051 4.320 -0.000 0.000 0.217 128 A C 2.017 179.353 177.584 -0.414 0.000 1.181 128 A CA 1.613 53.584 52.037 -0.111 0.000 0.623 128 A CB -0.573 18.482 19.000 0.093 0.000 0.818 128 A HN 0.397 nan 8.150 nan 0.000 0.443 129 Q N -0.184 119.155 119.800 -0.768 0.000 2.084 129 Q HA -0.226 4.114 4.340 -0.000 0.000 0.202 129 Q C 2.153 178.002 176.000 -0.252 0.000 0.978 129 Q CA 1.951 57.247 55.803 -0.845 0.000 0.844 129 Q CB -0.177 28.149 28.738 -0.686 0.000 0.898 129 Q HN 0.696 nan 8.270 nan 0.000 0.426 130 K N 0.305 120.626 120.400 -0.131 0.000 2.032 130 K HA -0.214 4.106 4.320 -0.000 0.000 0.209 130 K C 1.685 178.387 176.600 0.170 0.000 1.048 130 K CA 1.885 58.198 56.287 0.042 0.000 0.927 130 K CB 0.015 32.514 32.500 -0.000 0.000 0.712 130 K HN 0.285 nan 8.250 nan 0.000 0.441 131 E N -0.058 120.186 120.200 0.074 0.000 2.106 131 E HA -0.143 4.207 4.350 -0.000 0.000 0.192 131 E C 1.935 178.624 176.600 0.148 0.000 0.984 131 E CA 0.958 57.432 56.400 0.124 0.000 0.806 131 E CB -0.079 29.654 29.700 0.054 0.000 0.750 131 E HN 0.439 nan 8.360 nan 0.000 0.458 132 A N 1.020 123.887 122.820 0.078 0.000 1.898 132 A HA -0.142 4.178 4.320 -0.000 0.000 0.216 132 A C 2.163 179.809 177.584 0.104 0.000 1.181 132 A CA 0.985 53.086 52.037 0.107 0.000 0.620 132 A CB -0.478 18.610 19.000 0.147 0.000 0.819 132 A HN 0.131 nan 8.150 nan 0.000 0.442 133 I N -2.061 118.579 120.570 0.116 0.000 2.252 133 I HA -0.233 3.937 4.170 -0.000 0.000 0.245 133 I C 2.423 178.571 176.117 0.051 0.000 1.102 133 I CA 1.512 62.879 61.300 0.113 0.000 1.385 133 I CB -0.397 37.714 38.000 0.185 0.000 1.064 133 I HN 0.523 nan 8.210 nan 0.000 0.414 134 Y N 2.093 122.383 120.300 -0.017 0.000 2.165 134 Y HA -0.271 4.279 4.550 -0.000 0.000 0.286 134 Y C 2.669 178.487 175.900 -0.136 0.000 1.155 134 Y CA 1.617 59.579 58.100 -0.230 0.000 1.164 134 Y CB -0.214 38.165 38.460 -0.135 0.000 0.978 134 Y HN -0.017 nan 8.280 nan 0.000 0.513 135 R N -0.348 120.132 120.500 -0.034 0.000 2.081 135 R HA -0.174 4.166 4.340 -0.000 0.000 0.235 135 R C 2.257 178.483 176.300 -0.123 0.000 1.131 135 R CA 1.521 57.578 56.100 -0.073 0.000 0.960 135 R CB -0.323 30.007 30.300 0.050 0.000 0.856 135 R HN 0.437 nan 8.270 nan 0.000 0.436 136 Q N 0.593 120.347 119.800 -0.076 0.000 2.084 136 Q HA -0.145 4.195 4.340 -0.000 0.000 0.202 136 Q C 2.210 178.142 176.000 -0.114 0.000 0.978 136 Q CA 1.001 56.773 55.803 -0.052 0.000 0.844 136 Q CB -0.320 28.404 28.738 -0.023 0.000 0.898 136 Q HN 0.213 nan 8.270 nan 0.000 0.426 137 L N 1.521 122.617 121.223 -0.213 0.000 2.083 137 L HA -0.172 4.168 4.340 -0.000 0.000 0.209 137 L C 1.741 178.438 176.870 -0.289 0.000 1.083 137 L CA 2.113 56.795 54.840 -0.263 0.000 0.752 137 L CB -0.732 41.083 42.059 -0.408 0.000 0.899 137 L HN 0.103 nan 8.230 nan 0.000 0.433 138 D N -1.363 118.788 120.400 -0.415 0.000 2.117 138 D HA -0.255 4.385 4.640 -0.000 0.000 0.198 138 D C 2.199 178.409 176.300 -0.149 0.000 0.982 138 D CA 1.405 55.201 54.000 -0.340 0.000 0.828 138 D CB -0.065 40.480 40.800 -0.424 0.000 0.967 138 D HN 0.629 nan 8.370 nan 0.000 0.464 139 Q N -0.628 119.107 119.800 -0.108 0.000 2.123 139 Q HA -0.103 4.237 4.340 -0.000 0.000 0.199 139 Q C 1.610 177.613 176.000 0.005 0.000 0.966 139 Q CA 1.572 57.355 55.803 -0.032 0.000 0.845 139 Q CB -0.205 28.528 28.738 -0.008 0.000 0.907 139 Q HN 0.121 nan 8.270 nan 0.000 0.439 140 T N 0.715 115.273 114.554 0.007 0.000 2.821 140 T HA -0.096 4.254 4.350 -0.000 0.000 0.267 140 T C 1.766 176.510 174.700 0.074 0.000 1.046 140 T CA 1.691 63.825 62.100 0.058 0.000 1.139 140 T CB -0.408 68.488 68.868 0.046 0.000 0.871 140 T HN 0.412 nan 8.240 nan 0.000 0.454 141 T N 1.900 116.468 114.554 0.024 0.000 2.788 141 T HA -0.128 4.222 4.350 -0.000 0.000 0.268 141 T C 2.036 176.809 174.700 0.121 0.000 1.044 141 T CA 0.979 63.127 62.100 0.079 0.000 1.139 141 T CB -0.213 68.654 68.868 -0.002 0.000 0.867 141 T HN 0.240 nan 8.240 nan 0.000 0.454 142 Q N 1.006 120.836 119.800 0.049 0.000 2.119 142 Q HA -0.031 4.309 4.340 -0.000 0.000 0.201 142 Q C 2.368 178.382 176.000 0.022 0.000 0.972 142 Q CA 1.341 57.159 55.803 0.026 0.000 0.847 142 Q CB -0.090 28.649 28.738 0.001 0.000 0.903 142 Q HN 0.502 nan 8.270 nan 0.000 0.433 143 R N -0.717 119.810 120.500 0.044 0.000 2.073 143 R HA -0.100 4.240 4.340 -0.000 0.000 0.229 143 R C 2.265 178.593 176.300 0.048 0.000 1.120 143 R CA 1.260 57.380 56.100 0.032 0.000 0.967 143 R CB -0.498 29.824 30.300 0.036 0.000 0.862 143 R HN 0.224 nan 8.270 nan 0.000 0.436 144 F N 2.450 122.394 119.950 -0.010 0.000 2.095 144 F HA -0.223 4.303 4.527 -0.000 0.000 0.298 144 F C 1.836 177.630 175.800 -0.010 0.000 1.104 144 F CA 1.521 59.518 58.000 -0.006 0.000 1.232 144 F CB -0.399 38.599 39.000 -0.003 0.000 0.987 144 F HN -0.051 nan 8.300 nan 0.000 0.475 145 N N 0.285 118.806 118.700 -0.298 0.000 2.205 145 N HA -0.161 4.579 4.740 -0.000 0.000 0.186 145 N C 1.745 177.088 175.510 -0.279 0.000 1.015 145 N CA 1.520 54.361 53.050 -0.347 0.000 0.862 145 N CB -0.241 38.192 38.487 -0.090 0.000 0.986 145 N HN 0.349 nan 8.380 nan 0.000 0.429 146 V N -0.119 119.686 119.914 -0.181 0.000 3.596 146 V HA 0.243 4.363 4.120 -0.000 0.000 0.289 146 V C 1.010 177.023 176.094 -0.135 0.000 1.336 146 V CA 0.845 63.067 62.300 -0.130 0.000 1.137 146 V CB -0.430 31.348 31.823 -0.075 0.000 0.966 146 V HN 0.443 nan 8.190 nan 0.000 0.428 147 G N 0.275 108.962 108.800 -0.189 0.000 2.143 147 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.249 147 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.249 147 G C 0.616 175.475 174.900 -0.068 0.000 0.981 147 G CA 0.613 45.628 45.100 -0.141 0.000 0.665 147 G HN 0.525 nan 8.290 nan 0.000 0.528 148 L N -0.360 120.834 121.223 -0.049 0.000 2.375 148 L HA 0.367 4.707 4.340 -0.000 0.000 0.215 148 L C 1.367 178.233 176.870 -0.006 0.000 1.108 148 L CA 1.086 55.906 54.840 -0.034 0.000 0.830 148 L CB 0.119 42.151 42.059 -0.046 0.000 0.959 148 L HN 0.516 nan 8.230 nan 0.000 0.457 149 V N -4.404 115.543 119.914 0.055 0.000 3.114 149 V HA 0.838 4.958 4.120 -0.000 0.000 0.308 149 V C -0.244 175.976 176.094 0.210 0.000 1.168 149 V CA -1.095 61.271 62.300 0.111 0.000 1.015 149 V CB 1.506 33.411 31.823 0.137 0.000 1.050 149 V HN -0.072 nan 8.190 nan 0.000 0.433 150 A N 1.978 124.907 122.820 0.182 0.000 2.332 150 A HA 0.611 4.930 4.320 -0.000 0.000 0.258 150 A C 0.998 178.678 177.584 0.159 0.000 1.087 150 A CA 0.093 52.251 52.037 0.202 0.000 0.802 150 A CB 0.257 19.323 19.000 0.109 0.000 1.042 150 A HN 1.413 nan 8.150 nan 0.000 0.489 151 I N 0.924 121.513 120.570 0.031 0.000 2.454 151 I HA -0.182 3.987 4.170 -0.000 0.000 0.254 151 I C 2.512 178.496 176.117 -0.221 0.000 1.156 151 I CA 1.946 62.973 61.300 -0.455 0.000 1.433 151 I CB 0.013 37.654 38.000 -0.597 0.000 1.082 151 I HN 0.908 nan 8.210 nan 0.000 0.432 152 T N 0.142 114.648 114.554 -0.080 0.000 2.721 152 T HA -0.278 4.071 4.350 -0.000 0.000 0.268 152 T C 1.475 176.149 174.700 -0.042 0.000 1.038 152 T CA 2.452 64.522 62.100 -0.049 0.000 1.145 152 T CB -0.383 68.478 68.868 -0.012 0.000 0.858 152 T HN 0.420 nan 8.240 nan 0.000 0.459 153 D N 0.299 120.693 120.400 -0.010 0.000 2.144 153 D HA -0.014 4.625 4.640 -0.000 0.000 0.200 153 D C 2.302 178.580 176.300 -0.037 0.000 0.978 153 D CA 0.902 54.905 54.000 0.004 0.000 0.833 153 D CB -0.509 40.354 40.800 0.105 0.000 0.961 153 D HN 0.386 nan 8.370 nan 0.000 0.470 154 V N 0.698 120.564 119.914 -0.079 0.000 2.307 154 V HA -0.243 3.876 4.120 -0.000 0.000 0.245 154 V C 2.353 178.385 176.094 -0.104 0.000 1.045 154 V CA 1.590 63.822 62.300 -0.113 0.000 1.024 154 V CB -0.569 31.128 31.823 -0.211 0.000 0.651 154 V HN 0.177 nan 8.190 nan 0.000 0.449 155 Q N 0.074 119.806 119.800 -0.114 0.000 2.124 155 Q HA -0.174 4.166 4.340 -0.000 0.000 0.202 155 Q C 2.178 178.150 176.000 -0.046 0.000 0.977 155 Q CA 1.544 57.300 55.803 -0.079 0.000 0.850 155 Q CB -0.237 28.451 28.738 -0.084 0.000 0.901 155 Q HN 0.631 nan 8.270 nan 0.000 0.429 156 N N 0.542 119.215 118.700 -0.045 0.000 2.188 156 N HA -0.099 4.641 4.740 -0.000 0.000 0.184 156 N C 1.555 177.050 175.510 -0.025 0.000 1.018 156 N CA 1.331 54.361 53.050 -0.033 0.000 0.858 156 N CB -0.293 38.169 38.487 -0.041 0.000 0.989 156 N HN 0.235 nan 8.380 nan 0.000 0.426 157 A N 1.034 123.833 122.820 -0.035 0.000 1.968 157 A HA -0.069 4.251 4.320 -0.000 0.000 0.217 157 A C 2.276 179.873 177.584 0.021 0.000 1.169 157 A CA 1.229 53.253 52.037 -0.022 0.000 0.638 157 A CB -0.317 18.651 19.000 -0.053 0.000 0.812 157 A HN 0.151 nan 8.150 nan 0.000 0.446 158 R N 0.471 120.977 120.500 0.010 0.000 2.081 158 R HA -0.009 4.331 4.340 -0.000 0.000 0.235 158 R C 2.112 178.471 176.300 0.099 0.000 1.131 158 R CA 1.979 58.118 56.100 0.065 0.000 0.960 158 R CB -0.950 29.362 30.300 0.020 0.000 0.856 158 R HN 0.351 nan 8.270 nan 0.000 0.436 159 A N 0.124 122.971 122.820 0.045 0.000 1.908 159 A HA -0.259 4.061 4.320 -0.000 0.000 0.218 159 A C 2.175 179.784 177.584 0.043 0.000 1.181 159 A CA 1.825 53.882 52.037 0.034 0.000 0.627 159 A CB -0.734 18.273 19.000 0.010 0.000 0.818 159 A HN 0.522 nan 8.150 nan 0.000 0.445 160 Q N -1.845 117.986 119.800 0.052 0.000 2.050 160 Q HA -0.204 4.135 4.340 -0.000 0.000 0.202 160 Q C 1.912 177.965 176.000 0.089 0.000 0.980 160 Q CA 2.145 57.981 55.803 0.054 0.000 0.840 160 Q CB -0.505 28.263 28.738 0.050 0.000 0.898 160 Q HN 0.731 nan 8.270 nan 0.000 0.424 161 Y N 1.132 121.432 120.300 -0.000 0.000 2.128 161 Y HA -0.269 4.280 4.550 -0.000 0.000 0.284 161 Y C 1.584 177.491 175.900 0.013 0.000 1.154 161 Y CA 2.159 60.269 58.100 0.017 0.000 1.149 161 Y CB -0.356 38.126 38.460 0.036 0.000 0.976 161 Y HN 0.233 nan 8.280 nan 0.000 0.505 162 D N -0.904 119.491 120.400 -0.009 0.000 2.149 162 D HA -0.164 4.476 4.640 -0.000 0.000 0.198 162 D C 2.128 178.361 176.300 -0.112 0.000 0.990 162 D CA 1.961 55.899 54.000 -0.102 0.000 0.839 162 D CB -0.521 40.274 40.800 -0.009 0.000 0.948 162 D HN 0.397 nan 8.370 nan 0.000 0.460 163 T N 0.298 114.815 114.554 -0.062 0.000 2.746 163 T HA -0.122 4.227 4.350 -0.000 0.000 0.267 163 T C 2.054 176.704 174.700 -0.082 0.000 1.039 163 T CA 0.881 62.948 62.100 -0.055 0.000 1.142 163 T CB -0.371 68.482 68.868 -0.024 0.000 0.866 163 T HN 0.028 nan 8.240 nan 0.000 0.444 164 V N 1.172 121.022 119.914 -0.106 0.000 2.667 164 V HA 0.023 4.143 4.120 -0.000 0.000 0.252 164 V C 2.147 178.137 176.094 -0.173 0.000 1.065 164 V CA 1.104 63.335 62.300 -0.115 0.000 1.083 164 V CB -0.575 31.197 31.823 -0.085 0.000 0.692 164 V HN 0.478 nan 8.190 nan 0.000 0.468 165 L N 0.311 121.367 121.223 -0.280 0.000 2.042 165 L HA -0.129 4.211 4.340 -0.000 0.000 0.210 165 L C 2.812 179.593 176.870 -0.148 0.000 1.076 165 L CA 1.766 56.450 54.840 -0.261 0.000 0.749 165 L CB -0.916 40.946 42.059 -0.329 0.000 0.893 165 L HN 0.441 nan 8.230 nan 0.000 0.432 166 A N 0.156 122.906 122.820 -0.118 0.000 1.930 166 A HA -0.182 4.137 4.320 -0.000 0.000 0.217 166 A C 2.019 179.566 177.584 -0.062 0.000 1.175 166 A CA 1.679 53.670 52.037 -0.076 0.000 0.627 166 A CB -0.485 18.480 19.000 -0.058 0.000 0.815 166 A HN 0.431 nan 8.150 nan 0.000 0.443 167 N N -0.087 118.574 118.700 -0.064 0.000 2.188 167 N HA -0.157 4.583 4.740 -0.000 0.000 0.184 167 N C 1.648 177.130 175.510 -0.047 0.000 1.018 167 N CA 1.401 54.423 53.050 -0.046 0.000 0.858 167 N CB -0.438 38.026 38.487 -0.037 0.000 0.989 167 N HN 0.772 nan 8.380 nan 0.000 0.426 168 E N 0.456 120.617 120.200 -0.065 0.000 2.118 168 E HA -0.150 4.200 4.350 -0.000 0.000 0.195 168 E C 1.385 177.956 176.600 -0.049 0.000 0.992 168 E CA 0.664 57.028 56.400 -0.060 0.000 0.804 168 E CB 0.128 29.780 29.700 -0.080 0.000 0.741 168 E HN 0.059 nan 8.360 nan 0.000 0.458 169 L N 0.797 121.990 121.223 -0.051 0.000 2.017 169 L HA -0.171 4.168 4.340 -0.000 0.000 0.208 169 L C 2.901 179.752 176.870 -0.031 0.000 1.073 169 L CA 2.314 57.130 54.840 -0.040 0.000 0.745 169 L CB -2.085 39.950 42.059 -0.040 0.000 0.894 169 L HN 0.369 nan 8.230 nan 0.000 0.432 170 T N -0.999 113.537 114.554 -0.029 0.000 2.777 170 T HA -0.105 4.245 4.350 -0.000 0.000 0.266 170 T C 1.983 176.672 174.700 -0.019 0.000 1.040 170 T CA 1.422 63.509 62.100 -0.022 0.000 1.141 170 T CB -0.099 68.758 68.868 -0.018 0.000 0.868 170 T HN 0.256 nan 8.240 nan 0.000 0.444 171 A N 1.777 124.584 122.820 -0.021 0.000 1.940 171 A HA -0.048 4.272 4.320 -0.000 0.000 0.219 171 A C 2.416 179.988 177.584 -0.022 0.000 1.176 171 A CA 2.171 54.198 52.037 -0.017 0.000 0.631 171 A CB -0.815 18.176 19.000 -0.015 0.000 0.814 171 A HN 0.609 nan 8.150 nan 0.000 0.446 172 R N 0.475 120.960 120.500 -0.025 0.000 2.092 172 R HA -0.132 4.208 4.340 -0.000 0.000 0.231 172 R C 1.866 178.155 176.300 -0.018 0.000 1.119 172 R CA 2.090 58.176 56.100 -0.024 0.000 0.970 172 R CB -0.768 29.516 30.300 -0.027 0.000 0.864 172 R HN 0.559 nan 8.270 nan 0.000 0.440 173 N N -0.060 118.629 118.700 -0.018 0.000 2.188 173 N HA -0.088 4.651 4.740 -0.000 0.000 0.184 173 N C 1.086 176.589 175.510 -0.012 0.000 1.018 173 N CA 1.859 54.901 53.050 -0.014 0.000 0.858 173 N CB -0.168 38.311 38.487 -0.014 0.000 0.989 173 N HN 0.479 nan 8.380 nan 0.000 0.426 174 N N -0.521 118.171 118.700 -0.014 0.000 2.223 174 N HA -0.128 4.612 4.740 -0.000 0.000 0.185 174 N C 1.428 176.927 175.510 -0.019 0.000 1.016 174 N CA 0.726 53.767 53.050 -0.014 0.000 0.863 174 N CB -0.055 38.424 38.487 -0.014 0.000 0.983 174 N HN 0.190 nan 8.380 nan 0.000 0.429 175 L N 1.474 122.684 121.223 -0.022 0.000 2.044 175 L HA -0.076 4.263 4.340 -0.000 0.000 0.205 175 L C 1.346 178.209 176.870 -0.011 0.000 1.075 175 L CA 1.806 56.630 54.840 -0.027 0.000 0.747 175 L CB -0.508 41.531 42.059 -0.033 0.000 0.903 175 L HN 0.027 nan 8.230 nan 0.000 0.435 176 D N -0.018 120.383 120.400 0.001 0.000 2.104 176 D HA -0.193 4.447 4.640 -0.000 0.000 0.194 176 D C 1.827 178.138 176.300 0.018 0.000 0.994 176 D CA 1.423 55.434 54.000 0.018 0.000 0.830 176 D CB -0.335 40.471 40.800 0.009 0.000 0.959 176 D HN 0.394 nan 8.370 nan 0.000 0.452 177 N N 0.615 119.318 118.700 0.006 0.000 2.244 177 N HA -0.067 4.673 4.740 -0.000 0.000 0.183 177 N C 1.671 177.184 175.510 0.006 0.000 1.016 177 N CA 1.033 54.087 53.050 0.006 0.000 0.866 177 N CB -0.291 38.197 38.487 0.001 0.000 0.980 177 N HN 0.141 nan 8.380 nan 0.000 0.430 178 A N 0.398 123.215 122.820 -0.005 0.000 1.930 178 A HA -0.025 4.295 4.320 -0.000 0.000 0.217 178 A C 2.427 180.007 177.584 -0.006 0.000 1.175 178 A CA 0.896 52.924 52.037 -0.015 0.000 0.627 178 A CB -0.626 18.349 19.000 -0.042 0.000 0.815 178 A HN 0.088 nan 8.150 nan 0.000 0.443 179 V N 0.484 120.401 119.914 0.006 0.000 2.343 179 V HA -0.216 3.904 4.120 -0.000 0.000 0.247 179 V C 2.531 178.667 176.094 0.069 0.000 1.051 179 V CA 2.160 64.480 62.300 0.034 0.000 1.036 179 V CB -0.617 31.249 31.823 0.071 0.000 0.654 179 V HN 0.535 nan 8.190 nan 0.000 0.451 180 E N -0.464 119.773 120.200 0.062 0.000 2.106 180 E HA -0.175 4.174 4.350 -0.000 0.000 0.192 180 E C 2.319 178.945 176.600 0.042 0.000 0.984 180 E CA 0.785 57.218 56.400 0.055 0.000 0.806 180 E CB -0.290 29.431 29.700 0.035 0.000 0.750 180 E HN 0.606 nan 8.360 nan 0.000 0.458 181 Q N 0.436 120.255 119.800 0.032 0.000 2.084 181 Q HA -0.109 4.231 4.340 -0.000 0.000 0.202 181 Q C 2.234 178.260 176.000 0.045 0.000 0.978 181 Q CA 0.589 56.411 55.803 0.031 0.000 0.844 181 Q CB -0.374 28.377 28.738 0.022 0.000 0.898 181 Q HN 0.249 nan 8.270 nan 0.000 0.426 182 L N 1.147 122.400 121.223 0.050 0.000 2.083 182 L HA -0.159 4.181 4.340 -0.000 0.000 0.209 182 L C 2.379 179.314 176.870 0.109 0.000 1.083 182 L CA 1.588 56.476 54.840 0.080 0.000 0.752 182 L CB -0.599 41.505 42.059 0.075 0.000 0.899 182 L HN 0.224 nan 8.230 nan 0.000 0.433 183 R N -0.328 120.223 120.500 0.086 0.000 2.115 183 R HA -0.214 4.125 4.340 -0.000 0.000 0.230 183 R C 2.203 178.532 176.300 0.049 0.000 1.111 183 R CA 1.536 57.673 56.100 0.062 0.000 0.976 183 R CB -0.137 30.200 30.300 0.061 0.000 0.870 183 R HN 0.523 nan 8.270 nan 0.000 0.445 184 Q N 0.328 120.156 119.800 0.046 0.000 2.084 184 Q HA -0.144 4.196 4.340 -0.000 0.000 0.202 184 Q C 2.025 178.050 176.000 0.042 0.000 0.978 184 Q CA 1.724 57.550 55.803 0.037 0.000 0.844 184 Q CB 0.009 28.766 28.738 0.031 0.000 0.898 184 Q HN 0.429 nan 8.270 nan 0.000 0.426 185 I N -0.879 119.724 120.570 0.056 0.000 2.406 185 I HA -0.162 4.008 4.170 -0.000 0.000 0.249 185 I C 2.012 178.168 176.117 0.065 0.000 1.122 185 I CA 0.994 62.330 61.300 0.059 0.000 1.431 185 I CB 0.040 38.081 38.000 0.069 0.000 1.087 185 I HN 0.144 nan 8.210 nan 0.000 0.424 186 T N -0.776 113.830 114.554 0.087 0.000 3.044 186 T HA 0.163 4.513 4.350 -0.000 0.000 0.255 186 T C 1.443 176.182 174.700 0.064 0.000 1.073 186 T CA 1.001 63.165 62.100 0.106 0.000 1.125 186 T CB 0.388 69.388 68.868 0.222 0.000 0.908 186 T HN 0.611 nan 8.240 nan 0.000 0.480 187 G N 1.532 110.355 108.800 0.038 0.000 2.241 187 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.244 187 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.244 187 G C 0.099 174.980 174.900 -0.032 0.000 0.998 187 G CA -0.114 44.990 45.100 0.006 0.000 0.621 187 G HN 0.482 nan 8.290 nan 0.000 0.519 188 N N -0.644 118.004 118.700 -0.087 0.000 2.362 188 N HA 0.564 5.303 4.740 -0.000 0.000 0.299 188 N C -1.125 174.163 175.510 -0.370 0.000 1.170 188 N CA -0.548 52.338 53.050 -0.275 0.000 0.825 188 N CB 1.441 39.603 38.487 -0.542 0.000 1.299 188 N HN 0.265 nan 8.380 nan 0.000 0.502 189 Y N 1.159 121.182 120.300 -0.460 0.000 2.353 189 Y HA 0.362 4.912 4.550 -0.000 0.000 0.340 189 Y C -1.167 174.440 175.900 -0.489 0.000 0.972 189 Y CA -0.598 57.290 58.100 -0.352 0.000 1.157 189 Y CB 0.256 38.609 38.460 -0.179 0.000 1.157 189 Y HN 0.405 nan 8.280 nan 0.000 0.495 190 Y N 8.616 128.460 120.300 -0.761 0.000 2.342 190 Y HA 0.309 4.859 4.550 -0.000 0.000 0.338 190 Y C -1.655 173.755 175.900 -0.817 0.000 0.965 190 Y CA -2.389 55.352 58.100 -0.598 0.000 1.159 190 Y CB 1.221 39.495 38.460 -0.309 0.000 1.157 190 Y HN 0.566 nan 8.280 nan 0.000 0.486 191 P HA -0.068 nan 4.420 nan 0.000 0.231 191 P C -0.643 176.600 177.300 -0.095 0.000 1.168 191 P CA 0.893 63.865 63.100 -0.212 0.000 0.779 191 P CB 0.655 32.360 31.700 0.008 0.000 0.844 192 E N -1.134 119.024 120.200 -0.070 0.000 2.390 192 E HA 0.585 4.935 4.350 -0.000 0.000 0.280 192 E C -1.483 175.077 176.600 -0.066 0.000 0.992 192 E CA -0.982 55.385 56.400 -0.055 0.000 0.790 192 E CB 1.142 30.828 29.700 -0.023 0.000 1.248 192 E HN -0.148 nan 8.360 nan 0.000 0.447 193 L N 0.575 121.737 121.223 -0.102 0.000 2.303 193 L HA 0.802 5.141 4.340 -0.000 0.000 0.256 193 L C -0.548 176.304 176.870 -0.031 0.000 1.034 193 L CA -1.467 53.293 54.840 -0.134 0.000 0.832 193 L CB 2.148 43.971 42.059 -0.394 0.000 1.403 193 L HN 0.822 nan 8.230 nan 0.000 0.419 194 A N 0.972 123.841 122.820 0.083 0.000 2.320 194 A HA 0.718 5.037 4.320 -0.000 0.000 0.287 194 A C 0.078 177.754 177.584 0.154 0.000 1.181 194 A CA -0.223 51.881 52.037 0.111 0.000 0.831 194 A CB 0.672 19.746 19.000 0.123 0.000 1.102 194 A HN 0.724 nan 8.150 nan 0.000 0.513 195 A N 2.157 125.044 122.820 0.112 0.000 2.287 195 A HA 0.558 4.878 4.320 -0.000 0.000 0.273 195 A C 0.185 177.894 177.584 0.208 0.000 1.091 195 A CA -0.488 51.637 52.037 0.147 0.000 0.817 195 A CB 0.124 19.178 19.000 0.090 0.000 1.069 195 A HN 1.365 nan 8.150 nan 0.000 0.492 196 L N 0.814 122.199 121.223 0.270 0.000 2.453 196 L HA 0.095 4.434 4.340 -0.000 0.000 0.272 196 L C 0.558 177.513 176.870 0.142 0.000 1.182 196 L CA 0.455 55.440 54.840 0.241 0.000 0.858 196 L CB -0.008 42.161 42.059 0.185 0.000 1.120 196 L HN 0.760 nan 8.230 nan 0.000 0.474 197 N N 2.933 121.723 118.700 0.150 0.000 2.415 197 N HA 0.177 4.917 4.740 -0.000 0.000 0.250 197 N C 0.856 176.438 175.510 0.120 0.000 1.127 197 N CA -0.188 52.933 53.050 0.118 0.000 0.945 197 N CB 0.601 39.158 38.487 0.118 0.000 1.196 197 N HN 0.618 nan 8.380 nan 0.000 0.499 198 V N 0.950 120.902 119.914 0.064 0.000 3.541 198 V HA 0.038 4.157 4.120 -0.000 0.000 0.267 198 V C 1.587 177.729 176.094 0.081 0.000 1.213 198 V CA 0.564 62.889 62.300 0.040 0.000 1.149 198 V CB -0.201 31.588 31.823 -0.056 0.000 0.822 198 V HN 0.610 nan 8.190 nan 0.000 0.462 199 E N 1.038 121.282 120.200 0.073 0.000 2.158 199 E HA -0.113 4.237 4.350 -0.000 0.000 0.191 199 E C 1.311 177.957 176.600 0.077 0.000 0.982 199 E CA 0.997 57.436 56.400 0.065 0.000 0.823 199 E CB -0.405 29.323 29.700 0.048 0.000 0.766 199 E HN 0.665 nan 8.360 nan 0.000 0.468 200 N N 0.085 118.840 118.700 0.092 0.000 2.280 200 N HA 0.034 4.774 4.740 -0.000 0.000 0.192 200 N C -0.246 175.320 175.510 0.094 0.000 1.109 200 N CA -0.268 52.827 53.050 0.076 0.000 0.855 200 N CB 0.247 38.770 38.487 0.059 0.000 0.974 200 N HN 0.011 nan 8.380 nan 0.000 0.482 201 F N 2.283 122.224 119.950 -0.015 0.000 2.563 201 F HA 0.097 4.624 4.527 -0.000 0.000 0.363 201 F C 0.097 175.864 175.800 -0.054 0.000 1.123 201 F CA 0.440 58.421 58.000 -0.031 0.000 1.307 201 F CB 0.509 39.478 39.000 -0.053 0.000 1.115 201 F HN -0.253 nan 8.300 nan 0.000 0.592 202 K N 2.016 121.861 120.400 -0.925 0.000 2.533 202 K HA 0.463 4.783 4.320 -0.000 0.000 0.272 202 K C -1.075 174.974 176.600 -0.918 0.000 0.985 202 K CA -0.934 54.969 56.287 -0.641 0.000 0.876 202 K CB 2.210 34.517 32.500 -0.322 0.000 1.452 202 K HN 0.658 nan 8.250 nan 0.000 0.439 203 T N -2.173 112.018 114.554 -0.606 0.000 2.932 203 T HA 0.570 4.919 4.350 -0.000 0.000 0.289 203 T C -0.968 173.587 174.700 -0.241 0.000 1.039 203 T CA -0.920 60.817 62.100 -0.605 0.000 1.024 203 T CB 1.478 69.898 68.868 -0.746 0.000 1.090 203 T HN 0.286 nan 8.240 nan 0.000 0.496 204 D N 1.455 121.824 120.400 -0.052 0.000 2.780 204 D HA 0.331 4.970 4.640 -0.000 0.000 0.242 204 D C -0.391 175.934 176.300 0.043 0.000 1.135 204 D CA -0.716 53.284 54.000 -0.001 0.000 0.859 204 D CB 2.025 42.841 40.800 0.027 0.000 1.530 204 D HN 0.374 nan 8.370 nan 0.000 0.493 205 K N 2.171 122.575 120.400 0.007 0.000 2.382 205 K HA 0.285 4.605 4.320 -0.000 0.000 0.275 205 K C -1.925 174.698 176.600 0.039 0.000 1.009 205 K CA -1.238 55.054 56.287 0.009 0.000 0.970 205 K CB 0.160 32.656 32.500 -0.007 0.000 0.934 205 K HN 0.294 nan 8.250 nan 0.000 0.479 206 P HA 0.087 nan 4.420 nan 0.000 0.274 206 P C -0.294 177.099 177.300 0.154 0.000 1.256 206 P CA -0.467 62.691 63.100 0.097 0.000 0.795 206 P CB 0.605 32.374 31.700 0.115 0.000 1.038 207 Q N 0.276 120.164 119.800 0.146 0.000 2.454 207 Q HA 0.206 4.546 4.340 -0.000 0.000 0.247 207 Q C -1.910 174.198 176.000 0.180 0.000 1.028 207 Q CA -1.288 54.587 55.803 0.120 0.000 0.910 207 Q CB -1.085 27.694 28.738 0.068 0.000 1.276 207 Q HN 0.361 nan 8.270 nan 0.000 0.489 208 P HA -0.081 nan 4.420 nan 0.000 0.267 208 P C 0.812 178.010 177.300 -0.170 0.000 1.201 208 P CA 0.128 63.251 63.100 0.039 0.000 0.775 208 P CB 0.516 32.219 31.700 0.005 0.000 0.854 209 V N 2.934 122.505 119.914 -0.571 0.000 2.515 209 V HA -0.245 3.874 4.120 -0.000 0.000 0.250 209 V C 1.731 177.621 176.094 -0.340 0.000 1.058 209 V CA 1.987 63.822 62.300 -0.776 0.000 1.064 209 V CB -1.056 29.984 31.823 -1.306 0.000 0.675 209 V HN 0.513 nan 8.190 nan 0.000 0.461 210 N N 0.171 118.737 118.700 -0.223 0.000 2.104 210 N HA -0.164 4.575 4.740 -0.000 0.000 0.190 210 N C 1.931 177.392 175.510 -0.083 0.000 1.024 210 N CA 1.296 54.273 53.050 -0.121 0.000 0.853 210 N CB -0.312 38.126 38.487 -0.081 0.000 1.008 210 N HN 0.551 nan 8.380 nan 0.000 0.424 211 A N 1.123 123.901 122.820 -0.071 0.000 1.930 211 A HA -0.068 4.252 4.320 -0.000 0.000 0.217 211 A C 2.128 179.691 177.584 -0.036 0.000 1.175 211 A CA 0.986 52.999 52.037 -0.039 0.000 0.627 211 A CB -0.587 18.401 19.000 -0.021 0.000 0.815 211 A HN 0.166 nan 8.150 nan 0.000 0.443 212 L N -0.851 120.339 121.223 -0.055 0.000 2.093 212 L HA -0.125 4.215 4.340 -0.000 0.000 0.208 212 L C 2.504 179.353 176.870 -0.035 0.000 1.085 212 L CA 0.803 55.622 54.840 -0.034 0.000 0.755 212 L CB -0.516 41.524 42.059 -0.030 0.000 0.904 212 L HN 0.340 nan 8.230 nan 0.000 0.435 213 L N -0.319 120.868 121.223 -0.059 0.000 2.046 213 L HA -0.235 4.105 4.340 -0.000 0.000 0.208 213 L C 2.681 179.550 176.870 -0.001 0.000 1.077 213 L CA 1.442 56.261 54.840 -0.034 0.000 0.747 213 L CB -0.400 41.629 42.059 -0.050 0.000 0.896 213 L HN 0.196 nan 8.230 nan 0.000 0.432 214 K N -0.262 120.132 120.400 -0.009 0.000 2.026 214 K HA -0.243 4.077 4.320 -0.000 0.000 0.208 214 K C 2.089 178.692 176.600 0.005 0.000 1.048 214 K CA 1.648 57.936 56.287 0.001 0.000 0.929 214 K CB -0.058 32.438 32.500 -0.006 0.000 0.713 214 K HN 0.112 nan 8.250 nan 0.000 0.439 215 E N 0.903 121.104 120.200 0.001 0.000 2.077 215 E HA -0.177 4.173 4.350 -0.000 0.000 0.193 215 E C 1.674 178.280 176.600 0.010 0.000 0.989 215 E CA 1.521 57.923 56.400 0.004 0.000 0.800 215 E CB -0.133 29.568 29.700 0.002 0.000 0.746 215 E HN 0.303 nan 8.360 nan 0.000 0.452 216 A N 0.434 123.261 122.820 0.011 0.000 1.902 216 A HA -0.194 4.126 4.320 -0.000 0.000 0.217 216 A C 2.132 179.735 177.584 0.032 0.000 1.181 216 A CA 1.810 53.858 52.037 0.018 0.000 0.623 216 A CB -0.701 18.308 19.000 0.015 0.000 0.818 216 A HN 0.278 nan 8.150 nan 0.000 0.443 217 E N -0.487 119.738 120.200 0.041 0.000 2.204 217 E HA -0.128 4.222 4.350 -0.000 0.000 0.195 217 E C 1.975 178.591 176.600 0.026 0.000 0.990 217 E CA 1.256 57.687 56.400 0.051 0.000 0.821 217 E CB -0.073 29.657 29.700 0.051 0.000 0.750 217 E HN 0.644 nan 8.360 nan 0.000 0.477 218 K N -0.520 119.891 120.400 0.019 0.000 2.166 218 K HA 0.071 4.391 4.320 -0.000 0.000 0.201 218 K C 1.244 177.853 176.600 0.016 0.000 1.052 218 K CA 0.594 56.889 56.287 0.013 0.000 0.969 218 K CB 0.381 32.887 32.500 0.010 0.000 0.761 218 K HN -0.068 nan 8.250 nan 0.000 0.459 219 R N -0.148 120.363 120.500 0.017 0.000 2.487 219 R HA 0.084 4.423 4.340 -0.000 0.000 0.272 219 R C -0.025 176.285 176.300 0.018 0.000 0.928 219 R CA -0.193 55.917 56.100 0.017 0.000 1.077 219 R CB -0.171 30.136 30.300 0.012 0.000 1.265 219 R HN 0.097 nan 8.270 nan 0.000 0.537 220 N N 1.511 120.224 118.700 0.022 0.000 2.454 220 N HA -0.030 4.710 4.740 -0.000 0.000 0.260 220 N C 1.285 176.809 175.510 0.023 0.000 1.218 220 N CA 0.019 53.082 53.050 0.021 0.000 0.904 220 N CB 0.656 39.158 38.487 0.026 0.000 1.065 220 N HN -0.015 nan 8.380 nan 0.000 0.462 221 L N 1.931 123.165 121.223 0.019 0.000 2.056 221 L HA -0.149 4.191 4.340 -0.000 0.000 0.207 221 L C 2.232 179.117 176.870 0.025 0.000 1.078 221 L CA 0.823 55.676 54.840 0.022 0.000 0.749 221 L CB -0.486 41.583 42.059 0.016 0.000 0.901 221 L HN 0.599 nan 8.230 nan 0.000 0.433 222 S N 0.564 116.277 115.700 0.022 0.000 2.368 222 S HA -0.146 4.324 4.470 -0.000 0.000 0.225 222 S C 1.778 176.394 174.600 0.027 0.000 1.030 222 S CA 1.697 59.911 58.200 0.023 0.000 0.999 222 S CB -0.272 62.940 63.200 0.019 0.000 0.844 222 S HN 0.392 nan 8.310 nan 0.000 0.459 223 L N 0.959 122.201 121.223 0.032 0.000 2.240 223 L HA 0.219 4.558 4.340 -0.000 0.000 0.211 223 L C 1.894 178.782 176.870 0.030 0.000 1.106 223 L CA 1.191 56.054 54.840 0.038 0.000 0.793 223 L CB -1.523 40.571 42.059 0.059 0.000 0.927 223 L HN 0.213 nan 8.230 nan 0.000 0.446 224 L N 0.400 121.641 121.223 0.029 0.000 1.989 224 L HA -0.219 4.120 4.340 -0.000 0.000 0.211 224 L C 2.683 179.571 176.870 0.030 0.000 1.071 224 L CA 2.278 57.136 54.840 0.029 0.000 0.749 224 L CB -1.132 40.947 42.059 0.032 0.000 0.890 224 L HN 0.618 nan 8.230 nan 0.000 0.431 225 Q N -0.913 118.906 119.800 0.031 0.000 2.135 225 Q HA -0.220 4.120 4.340 -0.000 0.000 0.204 225 Q C 2.096 178.111 176.000 0.024 0.000 0.981 225 Q CA 1.859 57.680 55.803 0.031 0.000 0.856 225 Q CB -0.219 28.539 28.738 0.032 0.000 0.902 225 Q HN 0.703 nan 8.270 nan 0.000 0.425 226 A N 0.555 123.387 122.820 0.020 0.000 1.969 226 A HA -0.150 4.169 4.320 -0.000 0.000 0.218 226 A C 1.970 179.559 177.584 0.008 0.000 1.169 226 A CA 1.184 53.228 52.037 0.011 0.000 0.635 226 A CB -0.329 18.678 19.000 0.011 0.000 0.810 226 A HN 0.309 nan 8.150 nan 0.000 0.445 227 R N -0.597 119.911 120.500 0.015 0.000 2.090 227 R HA 0.057 4.396 4.340 -0.000 0.000 0.228 227 R C 1.923 178.241 176.300 0.030 0.000 1.110 227 R CA 1.149 57.260 56.100 0.017 0.000 0.973 227 R CB -0.383 29.928 30.300 0.018 0.000 0.869 227 R HN 0.503 nan 8.270 nan 0.000 0.440 228 L N -0.005 121.235 121.223 0.030 0.000 2.093 228 L HA -0.118 4.222 4.340 -0.000 0.000 0.208 228 L C 2.185 179.075 176.870 0.034 0.000 1.085 228 L CA 1.077 55.936 54.840 0.033 0.000 0.755 228 L CB -0.300 41.778 42.059 0.031 0.000 0.904 228 L HN 0.133 nan 8.230 nan 0.000 0.435 229 S N -0.782 114.934 115.700 0.027 0.000 2.406 229 S HA -0.206 4.264 4.470 -0.000 0.000 0.228 229 S C 1.888 176.510 174.600 0.036 0.000 1.020 229 S CA 0.926 59.141 58.200 0.026 0.000 0.965 229 S CB -0.123 63.086 63.200 0.014 0.000 0.798 229 S HN 0.421 nan 8.310 nan 0.000 0.488 230 Q N 1.095 120.911 119.800 0.027 0.000 2.079 230 Q HA -0.208 4.132 4.340 -0.000 0.000 0.200 230 Q C 1.748 177.855 176.000 0.179 0.000 0.974 230 Q CA 1.729 57.552 55.803 0.034 0.000 0.840 230 Q CB -0.201 28.526 28.738 -0.018 0.000 0.898 230 Q HN 0.510 nan 8.270 nan 0.000 0.430 231 D N -0.094 120.384 120.400 0.130 0.000 2.144 231 D HA -0.181 4.458 4.640 -0.000 0.000 0.199 231 D C 1.912 178.271 176.300 0.098 0.000 0.984 231 D CA 0.749 54.822 54.000 0.121 0.000 0.834 231 D CB -0.174 40.669 40.800 0.072 0.000 0.955 231 D HN 0.279 nan 8.370 nan 0.000 0.465 232 L N 0.271 121.541 121.223 0.079 0.000 2.056 232 L HA -0.034 4.306 4.340 -0.000 0.000 0.207 232 L C 2.170 179.089 176.870 0.083 0.000 1.078 232 L CA 1.862 56.737 54.840 0.058 0.000 0.749 232 L CB -1.190 40.892 42.059 0.037 0.000 0.901 232 L HN 0.154 nan 8.230 nan 0.000 0.433 233 A N 0.161 123.061 122.820 0.134 0.000 1.933 233 A HA -0.265 4.054 4.320 -0.000 0.000 0.218 233 A C 2.438 180.146 177.584 0.207 0.000 1.175 233 A CA 1.745 53.896 52.037 0.190 0.000 0.628 233 A CB -0.606 18.540 19.000 0.244 0.000 0.814 233 A HN 0.519 nan 8.150 nan 0.000 0.444 234 R N -0.550 120.075 120.500 0.208 0.000 2.066 234 R HA -0.174 4.166 4.340 -0.000 0.000 0.232 234 R C 2.094 178.360 176.300 -0.055 0.000 1.131 234 R CA 1.734 57.806 56.100 -0.048 0.000 0.955 234 R CB -0.262 29.999 30.300 -0.066 0.000 0.851 234 R HN 0.429 nan 8.270 nan 0.000 0.432 235 E N 0.770 120.969 120.200 -0.003 0.000 2.160 235 E HA -0.220 4.130 4.350 -0.000 0.000 0.195 235 E C 1.815 178.410 176.600 -0.007 0.000 0.991 235 E CA 1.643 58.040 56.400 -0.006 0.000 0.810 235 E CB 0.014 29.719 29.700 0.009 0.000 0.742 235 E HN 0.451 nan 8.360 nan 0.000 0.466 236 Q N -0.675 119.131 119.800 0.009 0.000 2.297 236 Q HA -0.028 4.312 4.340 -0.000 0.000 0.204 236 Q C 2.128 178.121 176.000 -0.010 0.000 0.962 236 Q CA 0.966 56.773 55.803 0.006 0.000 0.879 236 Q CB 0.013 28.768 28.738 0.027 0.000 0.947 236 Q HN 0.400 nan 8.270 nan 0.000 0.462 237 I N 0.189 120.743 120.570 -0.027 0.000 2.202 237 I HA -0.271 3.899 4.170 -0.000 0.000 0.242 237 I C 2.216 178.302 176.117 -0.051 0.000 1.091 237 I CA 1.096 62.365 61.300 -0.052 0.000 1.368 237 I CB -0.234 37.702 38.000 -0.106 0.000 1.058 237 I HN 0.138 nan 8.210 nan 0.000 0.410 238 R N 0.508 120.978 120.500 -0.050 0.000 2.091 238 R HA -0.262 4.078 4.340 -0.000 0.000 0.238 238 R C 2.308 178.591 176.300 -0.029 0.000 1.136 238 R CA 1.781 57.859 56.100 -0.035 0.000 0.959 238 R CB -0.519 29.762 30.300 -0.031 0.000 0.856 238 R HN 0.488 nan 8.270 nan 0.000 0.437 239 Q N 0.626 120.409 119.800 -0.028 0.000 2.135 239 Q HA -0.167 4.173 4.340 -0.000 0.000 0.204 239 Q C 2.003 177.973 176.000 -0.050 0.000 0.981 239 Q CA 1.713 57.496 55.803 -0.032 0.000 0.856 239 Q CB -0.078 28.644 28.738 -0.026 0.000 0.902 239 Q HN 0.388 nan 8.270 nan 0.000 0.425 240 A N 0.518 123.306 122.820 -0.053 0.000 1.930 240 A HA -0.208 4.112 4.320 -0.000 0.000 0.217 240 A C 1.928 179.440 177.584 -0.119 0.000 1.175 240 A CA 1.507 53.497 52.037 -0.078 0.000 0.627 240 A CB -0.470 18.493 19.000 -0.063 0.000 0.815 240 A HN 0.540 nan 8.150 nan 0.000 0.443 241 Q N -0.521 119.232 119.800 -0.078 0.000 2.224 241 Q HA -0.151 4.189 4.340 -0.000 0.000 0.203 241 Q C 1.046 177.023 176.000 -0.038 0.000 0.970 241 Q CA 1.172 56.946 55.803 -0.048 0.000 0.865 241 Q CB -0.114 28.633 28.738 0.016 0.000 0.922 241 Q HN 0.555 nan 8.270 nan 0.000 0.445 242 D N -0.217 120.158 120.400 -0.041 0.000 2.311 242 D HA -0.106 4.533 4.640 -0.000 0.000 0.212 242 D C 1.647 177.912 176.300 -0.057 0.000 0.972 242 D CA 1.052 55.035 54.000 -0.028 0.000 0.887 242 D CB -0.381 40.396 40.800 -0.038 0.000 0.915 242 D HN 0.380 nan 8.370 nan 0.000 0.497 243 G N -0.903 107.816 108.800 -0.136 0.000 2.625 243 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.214 243 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.214 243 G C 1.200 176.026 174.900 -0.123 0.000 1.132 243 G CA 0.358 45.366 45.100 -0.153 0.000 0.782 243 G HN 0.422 nan 8.290 nan 0.000 0.538 244 H N -0.924 118.144 119.070 -0.003 0.000 2.497 244 H HA 0.296 4.852 4.556 -0.000 0.000 0.282 244 H C 0.931 176.272 175.328 0.022 0.000 1.003 244 H CA -0.533 55.520 56.048 0.009 0.000 1.307 244 H CB 0.294 30.067 29.762 0.017 0.000 1.437 244 H HN 0.178 nan 8.280 nan 0.000 0.544 245 L N 2.821 124.134 121.223 0.152 0.000 2.436 245 L HA 0.188 4.527 4.340 -0.000 0.000 0.265 245 L C -1.851 175.067 176.870 0.080 0.000 1.168 245 L CA -2.074 52.852 54.840 0.143 0.000 0.815 245 L CB 0.263 42.430 42.059 0.179 0.000 1.109 245 L HN 0.059 nan 8.230 nan 0.000 0.462 246 P HA 0.141 nan 4.420 nan 0.000 0.278 246 P C -0.783 176.528 177.300 0.018 0.000 1.258 246 P CA -0.338 62.682 63.100 -0.134 0.000 0.811 246 P CB 1.477 32.990 31.700 -0.312 0.000 1.063 247 T N 0.573 115.028 114.554 -0.166 0.000 2.908 247 T HA 0.528 4.878 4.350 -0.000 0.000 0.290 247 T C -1.284 173.429 174.700 0.020 0.000 1.034 247 T CA -0.803 61.306 62.100 0.016 0.000 1.010 247 T CB 0.574 69.417 68.868 -0.042 0.000 1.068 247 T HN 0.289 nan 8.240 nan 0.000 0.481 248 L N 4.067 125.409 121.223 0.198 0.000 2.446 248 L HA 0.528 4.868 4.340 -0.000 0.000 0.268 248 L C -1.358 175.611 176.870 0.165 0.000 0.975 248 L CA -0.424 54.548 54.840 0.219 0.000 0.848 248 L CB 1.546 43.785 42.059 0.300 0.000 1.225 248 L HN 0.819 nan 8.230 nan 0.000 0.410 249 D N 4.347 124.818 120.400 0.117 0.000 2.340 249 D HA 0.434 5.074 4.640 -0.000 0.000 0.240 249 D C -0.715 175.632 176.300 0.078 0.000 1.001 249 D CA -0.380 53.669 54.000 0.082 0.000 0.888 249 D CB 3.457 44.286 40.800 0.049 0.000 1.310 249 D HN 0.427 nan 8.370 nan 0.000 0.474 250 L N 0.910 122.170 121.223 0.061 0.000 2.317 250 L HA 0.470 4.810 4.340 -0.000 0.000 0.281 250 L C -0.418 176.473 176.870 0.036 0.000 1.024 250 L CA -0.117 54.754 54.840 0.051 0.000 0.810 250 L CB 1.485 43.574 42.059 0.049 0.000 1.240 250 L HN 0.447 nan 8.230 nan 0.000 0.427 251 T N 1.898 116.471 114.554 0.032 0.000 2.908 251 T HA 0.944 5.294 4.350 -0.000 0.000 0.290 251 T C -0.634 174.079 174.700 0.022 0.000 1.034 251 T CA -0.592 61.522 62.100 0.024 0.000 1.010 251 T CB 1.986 70.868 68.868 0.024 0.000 1.068 251 T HN 0.886 nan 8.240 nan 0.000 0.481 252 A N 1.249 124.079 122.820 0.017 0.000 2.589 252 A HA 0.914 5.234 4.320 -0.000 0.000 0.296 252 A C -0.490 177.101 177.584 0.013 0.000 1.062 252 A CA -0.659 51.387 52.037 0.016 0.000 0.686 252 A CB 1.273 20.282 19.000 0.016 0.000 1.282 252 A HN 1.870 nan 8.150 nan 0.000 0.404 253 S N -0.422 115.285 115.700 0.012 0.000 2.611 253 S HA 0.858 5.328 4.470 -0.000 0.000 0.268 253 S C -0.832 173.775 174.600 0.011 0.000 1.156 253 S CA -0.216 57.991 58.200 0.011 0.000 0.817 253 S CB 1.601 64.808 63.200 0.011 0.000 1.122 253 S HN 1.949 nan 8.310 nan 0.000 0.466 254 T N -0.179 114.382 114.554 0.010 0.000 3.293 254 T HA 0.701 5.051 4.350 -0.000 0.000 0.320 254 T C -0.401 174.306 174.700 0.011 0.000 0.995 254 T CA 0.219 62.326 62.100 0.011 0.000 1.041 254 T CB 0.623 69.497 68.868 0.010 0.000 1.058 254 T HN 1.546 nan 8.240 nan 0.000 0.453 255 G N 3.995 112.802 108.800 0.012 0.000 2.672 255 G HA2 0.749 4.709 3.960 -0.000 0.000 0.292 255 G HA3 0.749 4.709 3.960 -0.000 0.000 0.292 255 G C -1.077 173.831 174.900 0.013 0.000 1.375 255 G CA -0.819 44.288 45.100 0.012 0.000 0.890 255 G HN 0.892 nan 8.290 nan 0.000 0.476 256 I N -1.425 119.154 120.570 0.015 0.000 2.957 256 I HA 0.943 5.113 4.170 -0.000 0.000 0.310 256 I C -0.606 175.521 176.117 0.017 0.000 1.063 256 I CA -1.331 59.979 61.300 0.016 0.000 1.033 256 I CB 1.726 39.736 38.000 0.017 0.000 1.230 256 I HN 0.818 nan 8.210 nan 0.000 0.447 257 S N 1.651 117.362 115.700 0.018 0.000 2.543 257 S HA 0.493 4.963 4.470 -0.000 0.000 0.273 257 S C -1.044 173.566 174.600 0.017 0.000 1.152 257 S CA -0.738 57.471 58.200 0.015 0.000 0.910 257 S CB 2.167 65.373 63.200 0.010 0.000 1.105 257 S HN 0.676 nan 8.310 nan 0.000 0.465 258 D N 1.725 122.133 120.400 0.014 0.000 2.562 258 D HA 0.650 5.290 4.640 -0.000 0.000 0.271 258 D C -0.445 175.852 176.300 -0.005 0.000 1.198 258 D CA 0.696 54.705 54.000 0.016 0.000 1.071 258 D CB -0.360 40.455 40.800 0.025 0.000 1.011 258 D HN 0.997 nan 8.370 nan 0.000 0.327 259 T N -0.870 113.660 114.554 -0.040 0.000 1.022 259 T HA 0.155 4.505 4.350 -0.000 0.000 0.731 259 T C -0.841 173.793 174.700 -0.109 0.000 0.978 259 T CA -0.287 61.730 62.100 -0.138 0.000 3.855 259 T CB -1.406 67.353 68.868 -0.181 0.000 2.198 259 T HN 0.403 nan 8.240 nan 0.000 0.413 260 S N 2.375 117.970 115.700 -0.175 0.000 2.521 260 S HA 0.864 5.334 4.470 -0.000 0.000 0.295 260 S C -0.783 173.720 174.600 -0.162 0.000 1.098 260 S CA -0.946 57.225 58.200 -0.048 0.000 0.999 260 S CB 1.440 64.649 63.200 0.015 0.000 1.034 260 S HN 0.578 nan 8.310 nan 0.000 0.483 261 Y N 1.300 121.635 120.300 0.057 0.000 2.596 261 Y HA 0.827 5.376 4.550 -0.001 0.000 0.326 261 Y C 0.908 176.822 175.900 0.024 0.000 1.167 261 Y CA -0.295 57.824 58.100 0.033 0.000 1.246 261 Y CB 1.782 40.268 38.460 0.043 0.000 1.347 261 Y HN 1.096 nan 8.280 nan 0.000 0.515 262 S N -0.478 115.314 115.700 0.154 0.000 2.597 262 S HA 0.726 5.196 4.470 -0.000 0.000 0.274 262 S C -0.721 173.907 174.600 0.046 0.000 1.132 262 S CA -0.118 58.137 58.200 0.091 0.000 0.835 262 S CB 1.191 64.444 63.200 0.088 0.000 1.092 262 S HN 1.924 nan 8.310 nan 0.000 0.457 263 G N 1.303 110.123 108.800 0.034 0.000 2.423 263 G HA2 0.326 4.286 3.960 -0.000 0.000 0.684 263 G HA3 0.326 4.286 3.960 -0.000 0.000 0.684 263 G C 0.649 175.549 174.900 -0.001 0.000 1.309 263 G CA 0.405 45.514 45.100 0.016 0.000 0.950 263 G HN 2.190 nan 8.290 nan 0.000 0.587 264 S N -0.022 115.677 115.700 -0.001 0.000 2.393 264 S HA -0.262 4.207 4.470 -0.000 0.000 0.235 264 S C 1.818 176.409 174.600 -0.014 0.000 1.061 264 S CA 2.600 60.799 58.200 -0.003 0.000 1.129 264 S CB -0.256 62.944 63.200 -0.001 0.000 1.011 264 S HN 1.289 nan 8.310 nan 0.000 0.436 265 K N 1.633 122.008 120.400 -0.043 0.000 2.596 265 K HA 0.285 4.605 4.320 -0.000 0.000 0.211 265 K C 1.304 177.844 176.600 -0.100 0.000 1.046 265 K CA 0.536 56.790 56.287 -0.056 0.000 1.202 265 K CB -0.612 31.847 32.500 -0.069 0.000 0.925 265 K HN 0.621 nan 8.250 nan 0.000 0.486 266 T N -1.021 113.490 114.554 -0.073 0.000 2.737 266 T HA -0.006 4.343 4.350 -0.000 0.000 0.265 266 T C 1.072 175.838 174.700 0.110 0.000 1.038 266 T CA 1.049 63.114 62.100 -0.060 0.000 1.144 266 T CB -0.019 68.861 68.868 0.021 0.000 0.866 266 T HN 0.084 nan 8.240 nan 0.000 0.434 267 R N 0.037 120.584 120.500 0.078 0.000 2.948 267 R HA 0.617 4.957 4.340 -0.000 0.000 0.216 267 R C 0.507 176.845 176.300 0.064 0.000 1.557 267 R CA 0.065 56.214 56.100 0.083 0.000 0.970 267 R CB -0.524 29.809 30.300 0.055 0.000 2.255 267 R HN 0.352 nan 8.270 nan 0.000 0.527 268 G N 0.244 109.070 108.800 0.042 0.000 2.387 268 G HA2 0.170 4.130 3.960 -0.000 0.000 0.270 268 G HA3 0.170 4.130 3.960 -0.000 0.000 0.270 268 G C 0.416 175.337 174.900 0.034 0.000 0.957 268 G CA 0.774 45.893 45.100 0.031 0.000 1.352 268 G HN 1.386 nan 8.290 nan 0.000 0.457 269 A N -1.611 121.225 122.820 0.026 0.000 3.157 269 A HA 0.179 4.499 4.320 -0.000 0.000 0.237 269 A C 2.139 179.739 177.584 0.026 0.000 1.330 269 A CA 1.780 53.828 52.037 0.019 0.000 0.992 269 A CB -1.624 17.387 19.000 0.019 0.000 1.131 269 A HN 2.625 nan 8.150 nan 0.000 0.781 270 A N -0.541 122.301 122.820 0.038 0.000 1.887 270 A HA 0.539 4.859 4.320 -0.000 0.000 0.212 270 A C 2.510 180.031 177.584 -0.105 0.000 1.198 270 A CA 1.701 53.756 52.037 0.030 0.000 0.628 270 A CB -0.550 18.558 19.000 0.180 0.000 0.847 270 A HN 2.708 nan 8.150 nan 0.000 0.449 271 G N -1.514 107.241 108.800 -0.076 0.000 2.452 271 G HA2 0.015 3.975 3.960 -0.000 0.000 0.275 271 G HA3 0.015 3.975 3.960 -0.000 0.000 0.275 271 G C 0.623 175.445 174.900 -0.130 0.000 1.131 271 G CA 0.714 45.758 45.100 -0.092 0.000 1.031 271 G HN 1.276 nan 8.290 nan 0.000 0.511 272 T N -1.654 112.833 114.554 -0.111 0.000 10.012 272 T HA -0.420 3.930 4.350 -0.000 0.000 0.364 272 T C 1.907 176.487 174.700 -0.200 0.000 1.801 272 T CA 2.863 64.895 62.100 -0.113 0.000 2.812 272 T CB -1.100 67.719 68.868 -0.081 0.000 2.543 272 T HN 1.306 nan 8.240 nan 0.000 1.030 273 Q N -0.035 119.552 119.800 -0.355 0.000 2.152 273 Q HA -0.152 4.187 4.340 -0.000 0.000 0.206 273 Q C 0.829 176.370 176.000 -0.763 0.000 0.985 273 Q CA 1.865 57.314 55.803 -0.589 0.000 0.863 273 Q CB -0.101 28.143 28.738 -0.825 0.000 0.904 273 Q HN 0.807 nan 8.270 nan 0.000 0.422 274 Y N 0.902 120.986 120.300 -0.361 0.000 2.708 274 Y HA 0.304 4.854 4.550 -0.000 0.000 0.287 274 Y C -0.274 175.495 175.900 -0.219 0.000 1.145 274 Y CA -0.997 56.731 58.100 -0.619 0.000 1.249 274 Y CB 0.134 38.311 38.460 -0.471 0.000 1.152 274 Y HN 0.075 nan 8.280 nan 0.000 0.532 275 D N 0.062 120.457 120.400 -0.009 0.000 2.348 275 D HA 0.068 4.708 4.640 -0.000 0.000 0.272 275 D C -0.412 176.012 176.300 0.208 0.000 1.237 275 D CA 0.122 54.177 54.000 0.092 0.000 1.042 275 D CB 0.475 41.297 40.800 0.037 0.000 1.117 275 D HN 0.005 nan 8.370 nan 0.000 0.548 276 D N -0.839 119.656 120.400 0.159 0.000 2.198 276 D HA 0.424 5.063 4.640 -0.000 0.000 0.245 276 D C -0.678 175.695 176.300 0.121 0.000 1.079 276 D CA -0.319 53.777 54.000 0.160 0.000 0.854 276 D CB 1.042 41.905 40.800 0.105 0.000 1.148 276 D HN 0.113 nan 8.370 nan 0.000 0.456 277 S N 2.073 117.849 115.700 0.126 0.000 2.503 277 S HA 0.711 5.181 4.470 -0.000 0.000 0.301 277 S C -0.244 174.392 174.600 0.059 0.000 1.087 277 S CA -1.007 57.245 58.200 0.086 0.000 1.042 277 S CB 1.944 65.202 63.200 0.096 0.000 1.043 277 S HN 0.271 nan 8.310 nan 0.000 0.489 281 Q N 0.952 120.759 119.800 0.012 0.000 2.331 281 Q HA 0.424 4.764 4.340 -0.000 0.000 0.272 281 Q C -1.148 174.859 176.000 0.011 0.000 1.062 281 Q CA -0.869 54.940 55.803 0.011 0.000 0.806 281 Q CB 2.699 31.444 28.738 0.011 0.000 1.312 281 Q HN 0.546 nan 8.270 nan 0.000 0.431 282 N N 1.961 120.667 118.700 0.010 0.000 2.443 282 N HA 0.399 5.139 4.740 -0.000 0.000 0.269 282 N C -0.922 174.594 175.510 0.011 0.000 0.985 282 N CA -0.313 52.743 53.050 0.011 0.000 0.921 282 N CB 1.511 40.004 38.487 0.010 0.000 1.195 282 N HN 0.252 nan 8.380 nan 0.000 0.492 283 K N 0.184 120.591 120.400 0.012 0.000 2.340 283 K HA 0.791 5.110 4.320 -0.000 0.000 0.244 283 K C -0.841 175.768 176.600 0.014 0.000 0.973 283 K CA -1.027 55.268 56.287 0.013 0.000 0.828 283 K CB 2.281 34.789 32.500 0.013 0.000 1.226 283 K HN 0.268 nan 8.250 nan 0.000 0.437 284 V N -2.063 117.861 119.914 0.016 0.000 2.752 284 V HA 0.877 4.997 4.120 -0.000 0.000 0.302 284 V C -0.632 175.475 176.094 0.021 0.000 1.133 284 V CA -0.710 61.602 62.300 0.019 0.000 0.919 284 V CB 1.424 33.258 31.823 0.018 0.000 1.026 284 V HN 0.879 nan 8.190 nan 0.000 0.429 285 G N 3.046 111.862 108.800 0.026 0.000 2.690 285 G HA2 0.743 4.703 3.960 -0.000 0.000 0.291 285 G HA3 0.743 4.703 3.960 -0.000 0.000 0.291 285 G C -1.874 173.050 174.900 0.040 0.000 1.403 285 G CA -0.970 44.148 45.100 0.030 0.000 0.864 285 G HN 0.866 nan 8.290 nan 0.000 0.480 286 L N 0.720 121.972 121.223 0.048 0.000 2.346 286 L HA 0.723 5.063 4.340 -0.000 0.000 0.276 286 L C 0.009 176.929 176.870 0.084 0.000 1.006 286 L CA -0.891 53.990 54.840 0.067 0.000 0.817 286 L CB 2.279 44.379 42.059 0.068 0.000 1.272 286 L HN 0.523 nan 8.230 nan 0.000 0.421 287 S N 2.540 118.303 115.700 0.105 0.000 2.561 287 S HA 0.631 5.101 4.470 -0.000 0.000 0.303 287 S C -1.277 173.434 174.600 0.185 0.000 1.110 287 S CA -0.426 57.846 58.200 0.121 0.000 1.034 287 S CB 0.892 64.138 63.200 0.077 0.000 1.010 287 S HN 0.374 nan 8.310 nan 0.000 0.482 288 F N 3.957 123.930 119.950 0.040 0.000 2.520 288 F HA 0.747 5.274 4.527 -0.000 0.000 0.322 288 F C -0.344 175.484 175.800 0.046 0.000 1.103 288 F CA -0.226 57.803 58.000 0.048 0.000 0.926 288 F CB 1.917 40.938 39.000 0.036 0.000 1.154 288 F HN 0.506 nan 8.300 nan 0.000 0.453 289 S N 7.237 122.673 115.700 -0.441 0.000 2.571 289 S HA 0.693 5.163 4.470 -0.000 0.000 0.284 289 S C -2.258 172.049 174.600 -0.489 0.000 1.128 289 S CA -0.703 57.325 58.200 -0.287 0.000 0.970 289 S CB 1.245 64.371 63.200 -0.123 0.000 1.039 289 S HN 0.788 nan 8.310 nan 0.000 0.485 290 L N 6.773 127.852 121.223 -0.240 0.000 2.482 290 L HA 0.518 4.858 4.340 -0.000 0.000 0.269 290 L C -1.976 174.886 176.870 -0.014 0.000 0.967 290 L CA -1.674 53.077 54.840 -0.149 0.000 0.851 290 L CB 1.830 43.876 42.059 -0.023 0.000 1.242 290 L HN 0.554 nan 8.230 nan 0.000 0.404 291 P HA 0.005 nan 4.420 nan 0.000 0.211 291 P C 1.184 178.529 177.300 0.076 0.000 1.179 291 P CA 1.385 64.505 63.100 0.033 0.000 0.910 291 P CB 0.572 32.291 31.700 0.031 0.000 0.785 292 I N -6.366 114.265 120.570 0.102 0.000 4.624 292 I HA -0.370 3.800 4.170 -0.000 0.000 0.049 292 I C 0.305 176.552 176.117 0.217 0.000 0.621 292 I CA 1.798 63.178 61.300 0.133 0.000 0.836 292 I CB -1.058 37.014 38.000 0.119 0.000 0.765 292 I HN 0.062 nan 8.210 nan 0.000 0.159 293 Y N 1.686 122.013 120.300 0.045 0.000 2.333 293 Y HA 0.474 5.024 4.550 -0.001 0.000 0.319 293 Y C -0.850 175.071 175.900 0.036 0.000 1.200 293 Y CA -0.648 57.478 58.100 0.043 0.000 1.084 293 Y CB 1.188 39.667 38.460 0.032 0.000 1.268 293 Y HN 0.113 nan 8.280 nan 0.000 0.422 294 Q N 4.777 124.190 119.800 -0.646 0.000 2.318 294 Q HA 0.365 4.704 4.340 -0.000 0.000 0.371 294 Q C 0.935 176.577 176.000 -0.598 0.000 0.896 294 Q CA 0.111 55.630 55.803 -0.473 0.000 1.134 294 Q CB 1.303 29.912 28.738 -0.215 0.000 1.329 294 Q HN 1.135 nan 8.270 nan 0.000 0.413 295 G N 0.042 108.186 108.800 -1.094 0.000 2.168 295 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.263 295 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.263 295 G C 0.525 175.264 174.900 -0.269 0.000 0.977 295 G CA 0.216 45.044 45.100 -0.454 0.000 0.659 295 G HN 1.028 nan 8.290 nan 0.000 0.533 299 N N -0.079 118.591 118.700 -0.050 0.000 1.980 299 N HA -0.226 4.514 4.740 -0.000 0.000 0.214 299 N C 1.588 177.109 175.510 0.019 0.000 0.464 299 N CA 2.269 55.352 53.050 0.055 0.000 4.270 299 N CB -1.323 37.230 38.487 0.109 0.000 0.738 299 N HN 0.895 nan 8.380 nan 0.000 0.226 300 S N 0.373 116.078 115.700 0.009 0.000 2.368 300 S HA -0.026 4.444 4.470 -0.000 0.000 0.224 300 S C 1.629 176.237 174.600 0.012 0.000 1.029 300 S CA 1.970 60.182 58.200 0.020 0.000 0.988 300 S CB -0.121 63.088 63.200 0.016 0.000 0.838 300 S HN 0.489 nan 8.310 nan 0.000 0.462 301 Q N 0.166 119.955 119.800 -0.018 0.000 2.135 301 Q HA -0.076 4.263 4.340 -0.000 0.000 0.204 301 Q C 2.279 178.265 176.000 -0.024 0.000 0.981 301 Q CA 1.723 57.512 55.803 -0.024 0.000 0.856 301 Q CB -0.325 28.381 28.738 -0.053 0.000 0.902 301 Q HN 0.453 nan 8.270 nan 0.000 0.425 302 V N 1.328 121.218 119.914 -0.039 0.000 2.295 302 V HA -0.285 3.835 4.120 -0.000 0.000 0.246 302 V C 2.050 178.117 176.094 -0.045 0.000 1.049 302 V CA 1.922 64.198 62.300 -0.039 0.000 1.024 302 V CB -0.446 31.363 31.823 -0.023 0.000 0.648 302 V HN 0.309 nan 8.190 nan 0.000 0.447 303 K N -0.377 119.998 120.400 -0.041 0.000 2.057 303 K HA -0.226 4.093 4.320 -0.000 0.000 0.207 303 K C 2.297 178.856 176.600 -0.067 0.000 1.049 303 K CA 1.630 57.855 56.287 -0.104 0.000 0.931 303 K CB -0.259 32.221 32.500 -0.033 0.000 0.714 303 K HN 0.516 nan 8.250 nan 0.000 0.440 304 Q N 0.212 120.066 119.800 0.091 0.000 2.061 304 Q HA -0.172 4.168 4.340 -0.000 0.000 0.204 304 Q C 2.179 178.253 176.000 0.123 0.000 0.984 304 Q CA 1.721 57.631 55.803 0.179 0.000 0.846 304 Q CB -0.221 28.582 28.738 0.109 0.000 0.902 304 Q HN 0.374 nan 8.270 nan 0.000 0.421 305 A N 0.555 123.404 122.820 0.048 0.000 2.015 305 A HA -0.221 4.098 4.320 -0.000 0.000 0.219 305 A C 1.891 179.509 177.584 0.057 0.000 1.163 305 A CA 1.268 53.334 52.037 0.049 0.000 0.646 305 A CB -0.295 18.713 19.000 0.014 0.000 0.806 305 A HN 0.348 nan 8.150 nan 0.000 0.448 306 Q N -1.522 118.260 119.800 -0.030 0.000 2.079 306 Q HA -0.151 4.189 4.340 -0.000 0.000 0.200 306 Q C 1.823 177.830 176.000 0.010 0.000 0.974 306 Q CA 1.733 57.502 55.803 -0.056 0.000 0.840 306 Q CB -0.340 28.278 28.738 -0.201 0.000 0.898 306 Q HN 0.859 nan 8.270 nan 0.000 0.430 307 Y N 0.926 121.279 120.300 0.089 0.000 2.165 307 Y HA -0.271 4.278 4.550 -0.000 0.000 0.286 307 Y C 2.397 178.338 175.900 0.068 0.000 1.155 307 Y CA 0.934 59.076 58.100 0.069 0.000 1.164 307 Y CB -0.170 38.316 38.460 0.042 0.000 0.978 307 Y HN 0.277 nan 8.280 nan 0.000 0.513 308 N N 0.175 119.010 118.700 0.225 0.000 2.223 308 N HA -0.231 4.508 4.740 -0.000 0.000 0.185 308 N C 1.805 177.398 175.510 0.137 0.000 1.016 308 N CA 1.177 54.316 53.050 0.149 0.000 0.863 308 N CB -0.315 38.242 38.487 0.118 0.000 0.983 308 N HN 0.344 nan 8.380 nan 0.000 0.429 309 F N 1.652 121.624 119.950 0.037 0.000 2.186 309 F HA -0.087 4.440 4.527 -0.001 0.000 0.299 309 F C 2.317 178.136 175.800 0.031 0.000 1.090 309 F CA 1.073 59.085 58.000 0.020 0.000 1.307 309 F CB -0.595 38.404 39.000 -0.001 0.000 1.019 309 F HN -0.091 nan 8.300 nan 0.000 0.489 310 V N 0.261 120.178 119.914 0.005 0.000 2.453 310 V HA -0.006 4.114 4.120 -0.000 0.000 0.247 310 V C 2.305 178.343 176.094 -0.094 0.000 1.048 310 V CA 2.160 64.413 62.300 -0.078 0.000 1.049 310 V CB -1.319 30.547 31.823 0.072 0.000 0.672 310 V HN 0.366 nan 8.190 nan 0.000 0.457 311 G N -0.198 108.589 108.800 -0.022 0.000 2.440 311 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.218 311 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.218 311 G C 1.752 176.604 174.900 -0.080 0.000 1.154 311 G CA 1.067 46.151 45.100 -0.028 0.000 0.767 311 G HN 0.909 nan 8.290 nan 0.000 0.552 312 A N 0.374 123.116 122.820 -0.129 0.000 2.015 312 A HA 0.136 4.456 4.320 -0.000 0.000 0.219 312 A C 2.634 180.087 177.584 -0.217 0.000 1.163 312 A CA 1.982 53.930 52.037 -0.147 0.000 0.646 312 A CB -0.339 18.585 19.000 -0.127 0.000 0.806 312 A HN 0.291 nan 8.150 nan 0.000 0.448 313 S N -0.280 115.214 115.700 -0.344 0.000 2.406 313 S HA -0.081 4.389 4.470 -0.000 0.000 0.228 313 S C 1.820 176.334 174.600 -0.143 0.000 1.020 313 S CA 1.064 59.082 58.200 -0.303 0.000 0.965 313 S CB -0.160 62.789 63.200 -0.418 0.000 0.798 313 S HN 0.584 nan 8.310 nan 0.000 0.488 314 E N 1.521 121.657 120.200 -0.106 0.000 2.152 314 E HA -0.064 4.286 4.350 -0.000 0.000 0.192 314 E C 2.076 178.653 176.600 -0.037 0.000 0.983 314 E CA 0.660 57.029 56.400 -0.052 0.000 0.818 314 E CB -0.316 29.364 29.700 -0.035 0.000 0.758 314 E HN 0.608 nan 8.360 nan 0.000 0.467 315 Q N 0.502 120.275 119.800 -0.046 0.000 2.170 315 Q HA -0.064 4.275 4.340 -0.000 0.000 0.203 315 Q C 2.342 178.331 176.000 -0.019 0.000 0.976 315 Q CA 0.714 56.500 55.803 -0.028 0.000 0.858 315 Q CB -0.052 28.670 28.738 -0.028 0.000 0.907 315 Q HN 0.240 nan 8.270 nan 0.000 0.433 316 L N 0.660 121.861 121.223 -0.036 0.000 2.027 316 L HA -0.195 4.144 4.340 -0.000 0.000 0.206 316 L C 2.341 179.224 176.870 0.022 0.000 1.074 316 L CA 1.464 56.295 54.840 -0.016 0.000 0.745 316 L CB -0.124 41.909 42.059 -0.044 0.000 0.898 316 L HN 0.218 nan 8.230 nan 0.000 0.433 317 E N 0.033 120.241 120.200 0.013 0.000 2.110 317 E HA -0.190 4.160 4.350 -0.000 0.000 0.193 317 E C 2.053 178.692 176.600 0.065 0.000 0.988 317 E CA 1.785 58.218 56.400 0.056 0.000 0.804 317 E CB -0.088 29.627 29.700 0.026 0.000 0.745 317 E HN 0.385 nan 8.360 nan 0.000 0.458 318 S N 0.018 115.735 115.700 0.028 0.000 2.370 318 S HA -0.165 4.305 4.470 -0.000 0.000 0.226 318 S C 2.017 176.631 174.600 0.024 0.000 1.033 318 S CA 1.149 59.359 58.200 0.018 0.000 1.011 318 S CB -0.520 62.683 63.200 0.005 0.000 0.852 318 S HN 0.530 nan 8.310 nan 0.000 0.457 319 A N 1.049 123.891 122.820 0.037 0.000 1.930 319 A HA -0.139 4.181 4.320 -0.000 0.000 0.217 319 A C 1.884 179.505 177.584 0.061 0.000 1.175 319 A CA 1.961 54.022 52.037 0.038 0.000 0.627 319 A CB -0.915 18.107 19.000 0.037 0.000 0.815 319 A HN 0.606 nan 8.150 nan 0.000 0.443 320 H N 0.067 119.130 119.070 -0.010 0.000 2.321 320 H HA -0.053 4.502 4.556 -0.000 0.000 0.300 320 H C 2.184 177.507 175.328 -0.009 0.000 1.087 320 H CA 2.115 58.157 56.048 -0.010 0.000 1.319 320 H CB -0.190 29.565 29.762 -0.012 0.000 1.379 320 H HN 0.416 nan 8.280 nan 0.000 0.501 321 R N -0.508 119.904 120.500 -0.147 0.000 2.105 321 R HA -0.136 4.204 4.340 -0.000 0.000 0.239 321 R C 2.683 178.901 176.300 -0.136 0.000 1.135 321 R CA 1.345 57.337 56.100 -0.181 0.000 0.967 321 R CB -0.444 29.817 30.300 -0.065 0.000 0.861 321 R HN 0.298 nan 8.270 nan 0.000 0.442 322 S N 0.468 116.123 115.700 -0.075 0.000 2.382 322 S HA -0.100 4.369 4.470 -0.000 0.000 0.228 322 S C 2.043 176.610 174.600 -0.056 0.000 1.027 322 S CA 1.352 59.524 58.200 -0.048 0.000 0.991 322 S CB -0.128 63.061 63.200 -0.019 0.000 0.823 322 S HN 0.335 nan 8.310 nan 0.000 0.469 323 V N 0.134 120.006 119.914 -0.070 0.000 2.649 323 V HA 0.070 4.190 4.120 -0.000 0.000 0.248 323 V C 2.065 178.106 176.094 -0.089 0.000 1.054 323 V CA 1.544 63.814 62.300 -0.050 0.000 1.073 323 V CB -0.656 31.163 31.823 -0.006 0.000 0.699 323 V HN 0.340 nan 8.190 nan 0.000 0.463 324 V N 0.840 120.644 119.914 -0.184 0.000 2.332 324 V HA -0.261 3.859 4.120 -0.000 0.000 0.248 324 V C 2.866 178.902 176.094 -0.096 0.000 1.055 324 V CA 2.669 64.865 62.300 -0.175 0.000 1.038 324 V CB -0.845 30.808 31.823 -0.285 0.000 0.651 324 V HN 0.695 nan 8.190 nan 0.000 0.450 325 Q N 0.097 119.847 119.800 -0.083 0.000 2.050 325 Q HA -0.195 4.145 4.340 -0.000 0.000 0.202 325 Q C 2.231 178.220 176.000 -0.019 0.000 0.980 325 Q CA 2.670 58.448 55.803 -0.042 0.000 0.840 325 Q CB -0.577 28.140 28.738 -0.034 0.000 0.898 325 Q HN 0.659 nan 8.270 nan 0.000 0.424 326 T N 1.242 115.784 114.554 -0.019 0.000 2.777 326 T HA -0.105 4.245 4.350 -0.000 0.000 0.266 326 T C 1.879 176.586 174.700 0.012 0.000 1.040 326 T CA 1.722 63.822 62.100 -0.000 0.000 1.141 326 T CB -0.437 68.429 68.868 -0.003 0.000 0.868 326 T HN 0.359 nan 8.240 nan 0.000 0.444 327 V N 0.857 120.771 119.914 -0.001 0.000 2.488 327 V HA 0.030 4.149 4.120 -0.000 0.000 0.246 327 V C 2.272 178.393 176.094 0.046 0.000 1.046 327 V CA 1.188 63.498 62.300 0.017 0.000 1.053 327 V CB -0.571 31.248 31.823 -0.006 0.000 0.679 327 V HN 0.278 nan 8.190 nan 0.000 0.458 328 R N 1.389 121.899 120.500 0.017 0.000 2.115 328 R HA -0.057 4.283 4.340 -0.000 0.000 0.226 328 R C 2.707 179.085 176.300 0.130 0.000 1.100 328 R CA 1.608 57.738 56.100 0.051 0.000 0.980 328 R CB -0.435 29.863 30.300 -0.003 0.000 0.875 328 R HN 0.792 nan 8.270 nan 0.000 0.445 329 S N -0.340 115.408 115.700 0.080 0.000 2.414 329 S HA -0.014 4.456 4.470 -0.000 0.000 0.227 329 S C 1.916 176.566 174.600 0.084 0.000 1.022 329 S CA 1.037 59.282 58.200 0.074 0.000 0.958 329 S CB 0.133 63.357 63.200 0.041 0.000 0.797 329 S HN 0.083 nan 8.310 nan 0.000 0.493 330 S N 1.336 117.089 115.700 0.087 0.000 2.368 330 S HA 0.068 4.538 4.470 -0.000 0.000 0.224 330 S C 1.325 175.996 174.600 0.118 0.000 1.029 330 S CA 1.110 59.357 58.200 0.079 0.000 0.988 330 S CB -0.667 62.569 63.200 0.061 0.000 0.838 330 S HN 0.621 nan 8.310 nan 0.000 0.462 331 F N 3.056 123.005 119.950 -0.001 0.000 2.069 331 F HA -0.162 4.364 4.527 -0.000 0.000 0.298 331 F C 1.819 177.628 175.800 0.015 0.000 1.113 331 F CA 1.625 59.628 58.000 0.005 0.000 1.214 331 F CB -0.887 38.115 39.000 0.002 0.000 0.978 331 F HN 0.185 nan 8.300 nan 0.000 0.474 332 N N 0.088 118.857 118.700 0.115 0.000 2.061 332 N HA -0.256 4.484 4.740 -0.000 0.000 0.193 332 N C 1.364 176.846 175.510 -0.048 0.000 1.030 332 N CA 1.390 54.438 53.050 -0.003 0.000 0.856 332 N CB -0.301 38.242 38.487 0.092 0.000 1.023 332 N HN 0.311 nan 8.380 nan 0.000 0.424 333 N N 1.005 119.704 118.700 -0.002 0.000 2.188 333 N HA -0.054 4.685 4.740 -0.000 0.000 0.184 333 N C 1.685 177.194 175.510 -0.001 0.000 1.018 333 N CA 0.702 53.755 53.050 0.006 0.000 0.858 333 N CB -0.205 38.297 38.487 0.024 0.000 0.989 333 N HN 0.315 nan 8.380 nan 0.000 0.426 334 I N 0.973 121.525 120.570 -0.030 0.000 2.252 334 I HA -0.196 3.973 4.170 -0.000 0.000 0.245 334 I C 1.632 177.744 176.117 -0.009 0.000 1.102 334 I CA 0.757 62.062 61.300 0.009 0.000 1.385 334 I CB -0.123 37.859 38.000 -0.030 0.000 1.064 334 I HN 0.094 nan 8.210 nan 0.000 0.414 335 N N 1.063 119.671 118.700 -0.154 0.000 2.142 335 N HA -0.106 4.634 4.740 -0.000 0.000 0.186 335 N C 1.879 177.337 175.510 -0.086 0.000 1.023 335 N CA 1.571 54.515 53.050 -0.177 0.000 0.852 335 N CB -0.286 38.005 38.487 -0.326 0.000 0.998 335 N HN 0.324 nan 8.380 nan 0.000 0.424 336 A N 0.459 123.243 122.820 -0.060 0.000 1.969 336 A HA -0.036 4.284 4.320 -0.000 0.000 0.218 336 A C 2.481 180.069 177.584 0.006 0.000 1.169 336 A CA 1.376 53.398 52.037 -0.025 0.000 0.635 336 A CB -0.538 18.457 19.000 -0.008 0.000 0.810 336 A HN 0.223 nan 8.150 nan 0.000 0.445 337 S N 0.021 115.746 115.700 0.042 0.000 2.359 337 S HA -0.149 4.320 4.470 -0.000 0.000 0.224 337 S C 1.810 176.438 174.600 0.047 0.000 1.035 337 S CA 1.580 59.833 58.200 0.089 0.000 1.018 337 S CB -0.495 62.824 63.200 0.199 0.000 0.876 337 S HN 0.558 nan 8.310 nan 0.000 0.448 338 I N 1.198 121.774 120.570 0.011 0.000 2.163 338 I HA -0.184 3.986 4.170 -0.000 0.000 0.243 338 I C 2.444 178.523 176.117 -0.063 0.000 1.085 338 I CA 0.996 62.248 61.300 -0.081 0.000 1.347 338 I CB -0.398 37.543 38.000 -0.098 0.000 1.044 338 I HN 0.209 nan 8.210 nan 0.000 0.408 339 S N 0.076 115.744 115.700 -0.054 0.000 2.399 339 S HA -0.149 4.321 4.470 -0.000 0.000 0.231 339 S C 2.181 176.736 174.600 -0.075 0.000 1.022 339 S CA 1.522 59.683 58.200 -0.065 0.000 0.983 339 S CB -0.109 63.052 63.200 -0.064 0.000 0.803 339 S HN 0.389 nan 8.310 nan 0.000 0.480 340 S N 1.275 116.951 115.700 -0.039 0.000 2.387 340 S HA 0.104 4.574 4.470 -0.000 0.000 0.226 340 S C 1.749 176.373 174.600 0.039 0.000 1.026 340 S CA 0.613 58.794 58.200 -0.031 0.000 0.972 340 S CB -0.272 62.997 63.200 0.115 0.000 0.814 340 S HN 0.409 nan 8.310 nan 0.000 0.477 341 I N 2.333 122.928 120.570 0.042 0.000 2.163 341 I HA -0.265 3.904 4.170 -0.000 0.000 0.243 341 I C 2.046 178.169 176.117 0.010 0.000 1.085 341 I CA 1.314 62.638 61.300 0.040 0.000 1.347 341 I CB -0.507 37.491 38.000 -0.002 0.000 1.044 341 I HN 0.339 nan 8.210 nan 0.000 0.408 342 N N 0.493 119.171 118.700 -0.035 0.000 2.106 342 N HA -0.135 4.604 4.740 -0.000 0.000 0.188 342 N C 1.972 177.437 175.510 -0.075 0.000 1.029 342 N CA 1.123 54.143 53.050 -0.050 0.000 0.848 342 N CB -0.221 38.229 38.487 -0.062 0.000 1.007 342 N HN 0.323 nan 8.380 nan 0.000 0.423 343 A N 0.494 123.232 122.820 -0.137 0.000 1.933 343 A HA -0.143 4.177 4.320 -0.000 0.000 0.218 343 A C 1.584 179.008 177.584 -0.267 0.000 1.175 343 A CA 1.198 53.094 52.037 -0.234 0.000 0.628 343 A CB -0.861 17.926 19.000 -0.356 0.000 0.814 343 A HN 0.413 nan 8.150 nan 0.000 0.444 344 Y N -0.332 119.936 120.300 -0.052 0.000 2.475 344 Y HA -0.019 4.531 4.550 -0.000 0.000 0.289 344 Y C 2.374 178.230 175.900 -0.073 0.000 1.121 344 Y CA 0.884 58.945 58.100 -0.065 0.000 1.257 344 Y CB 0.074 38.492 38.460 -0.070 0.000 1.026 344 Y HN 0.213 nan 8.280 nan 0.000 0.555 345 K N 0.076 120.513 120.400 0.061 0.000 2.026 345 K HA -0.252 4.068 4.320 -0.000 0.000 0.208 345 K C 2.082 178.679 176.600 -0.005 0.000 1.048 345 K CA 1.633 57.928 56.287 0.013 0.000 0.929 345 K CB -0.148 32.350 32.500 -0.004 0.000 0.713 345 K HN 0.168 nan 8.250 nan 0.000 0.439 346 Q N 1.170 120.957 119.800 -0.022 0.000 2.079 346 Q HA -0.076 4.264 4.340 -0.000 0.000 0.200 346 Q C 1.806 177.789 176.000 -0.028 0.000 0.974 346 Q CA 1.978 57.761 55.803 -0.033 0.000 0.840 346 Q CB -0.380 28.328 28.738 -0.050 0.000 0.898 346 Q HN 0.264 nan 8.270 nan 0.000 0.430 347 A N -0.333 122.476 122.820 -0.019 0.000 1.940 347 A HA -0.132 4.188 4.320 -0.000 0.000 0.219 347 A C 2.300 179.882 177.584 -0.004 0.000 1.176 347 A CA 1.694 53.732 52.037 0.002 0.000 0.631 347 A CB -0.833 18.200 19.000 0.055 0.000 0.814 347 A HN 0.274 nan 8.150 nan 0.000 0.446 348 V N -0.547 119.360 119.914 -0.011 0.000 2.343 348 V HA -0.225 3.895 4.120 -0.000 0.000 0.247 348 V C 2.568 178.625 176.094 -0.062 0.000 1.051 348 V CA 1.951 64.213 62.300 -0.063 0.000 1.036 348 V CB -0.722 31.053 31.823 -0.080 0.000 0.654 348 V HN 0.383 nan 8.190 nan 0.000 0.451 349 V N 1.020 120.909 119.914 -0.042 0.000 2.261 349 V HA -0.228 3.891 4.120 -0.000 0.000 0.246 349 V C 2.682 178.755 176.094 -0.035 0.000 1.047 349 V CA 2.412 64.690 62.300 -0.037 0.000 1.015 349 V CB -0.799 31.007 31.823 -0.027 0.000 0.642 349 V HN 0.768 nan 8.190 nan 0.000 0.446 350 S N 0.729 116.411 115.700 -0.031 0.000 2.447 350 S HA -0.035 4.434 4.470 -0.000 0.000 0.233 350 S C 1.984 176.566 174.600 -0.030 0.000 1.006 350 S CA 1.099 59.283 58.200 -0.027 0.000 0.957 350 S CB -0.348 62.837 63.200 -0.024 0.000 0.773 350 S HN 0.550 nan 8.310 nan 0.000 0.507 351 A N 1.338 124.135 122.820 -0.039 0.000 1.968 351 A HA 0.007 4.326 4.320 -0.000 0.000 0.217 351 A C 2.261 179.810 177.584 -0.057 0.000 1.169 351 A CA 1.435 53.444 52.037 -0.047 0.000 0.638 351 A CB -0.723 18.238 19.000 -0.064 0.000 0.812 351 A HN 0.555 nan 8.150 nan 0.000 0.446 352 Q N 0.156 119.917 119.800 -0.066 0.000 2.172 352 Q HA -0.076 4.264 4.340 -0.000 0.000 0.200 352 Q C 2.089 178.070 176.000 -0.032 0.000 0.964 352 Q CA 2.055 57.821 55.803 -0.061 0.000 0.855 352 Q CB -0.413 28.286 28.738 -0.065 0.000 0.918 352 Q HN 0.554 nan 8.270 nan 0.000 0.444 353 S N -1.241 114.443 115.700 -0.026 0.000 2.436 353 S HA -0.061 4.408 4.470 -0.000 0.000 0.228 353 S C 1.969 176.564 174.600 -0.009 0.000 1.014 353 S CA 1.180 59.372 58.200 -0.014 0.000 0.950 353 S CB -0.475 62.717 63.200 -0.013 0.000 0.784 353 S HN 0.463 nan 8.310 nan 0.000 0.504 354 S N 0.649 116.341 115.700 -0.013 0.000 2.383 354 S HA -0.021 4.449 4.470 -0.000 0.000 0.227 354 S C 1.792 176.390 174.600 -0.003 0.000 1.026 354 S CA 1.135 59.331 58.200 -0.007 0.000 0.981 354 S CB -0.645 62.549 63.200 -0.011 0.000 0.818 354 S HN 0.537 nan 8.310 nan 0.000 0.472 355 L N 2.409 123.627 121.223 -0.008 0.000 1.989 355 L HA -0.093 4.247 4.340 -0.000 0.000 0.211 355 L C 1.703 178.581 176.870 0.015 0.000 1.071 355 L CA 2.347 57.188 54.840 0.002 0.000 0.749 355 L CB -1.047 41.010 42.059 -0.004 0.000 0.890 355 L HN 0.209 nan 8.230 nan 0.000 0.431 356 D N 0.599 121.007 120.400 0.012 0.000 2.178 356 D HA -0.061 4.579 4.640 -0.000 0.000 0.201 356 D C 1.283 177.599 176.300 0.027 0.000 0.980 356 D CA 1.097 55.110 54.000 0.022 0.000 0.842 356 D CB -0.410 40.399 40.800 0.015 0.000 0.948 356 D HN 0.530 nan 8.370 nan 0.000 0.472 360 A N 1.552 124.418 122.820 0.077 0.000 1.897 360 A HA 0.093 4.412 4.320 -0.000 0.000 0.215 360 A C 2.219 179.839 177.584 0.061 0.000 1.181 360 A CA 1.985 54.053 52.037 0.052 0.000 0.620 360 A CB -0.940 18.080 19.000 0.033 0.000 0.821 360 A HN 0.246 nan 8.150 nan 0.000 0.443 361 G N -1.886 106.960 108.800 0.076 0.000 2.408 361 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.217 361 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.217 361 G C 1.548 176.525 174.900 0.128 0.000 1.150 361 G CA 1.069 46.216 45.100 0.077 0.000 0.776 361 G HN 0.621 nan 8.290 nan 0.000 0.542 362 Y N 2.242 122.545 120.300 0.006 0.000 2.207 362 Y HA -0.253 4.297 4.550 -0.000 0.000 0.287 362 Y C 3.038 178.942 175.900 0.007 0.000 1.156 362 Y CA 1.664 59.768 58.100 0.007 0.000 1.182 362 Y CB 0.102 38.567 38.460 0.008 0.000 0.979 362 Y HN 0.349 nan 8.280 nan 0.000 0.521 363 S N -0.418 115.245 115.700 -0.063 0.000 2.515 363 S HA -0.090 4.380 4.470 -0.000 0.000 0.231 363 S C 1.194 175.734 174.600 -0.101 0.000 0.987 363 S CA 0.769 58.864 58.200 -0.176 0.000 0.936 363 S CB -0.484 62.660 63.200 -0.094 0.000 0.766 363 S HN 0.408 nan 8.310 nan 0.000 0.528 364 V N -3.298 116.593 119.914 -0.037 0.000 3.276 364 V HA 0.739 4.859 4.120 -0.000 0.000 0.319 364 V C 1.252 177.342 176.094 -0.006 0.000 1.427 364 V CA -0.033 62.253 62.300 -0.023 0.000 1.102 364 V CB -0.688 31.132 31.823 -0.006 0.000 1.020 364 V HN 0.670 nan 8.190 nan 0.000 0.456 365 G N 1.449 110.255 108.800 0.009 0.000 2.157 365 G HA2 -0.288 3.671 3.960 -0.000 0.000 0.248 365 G HA3 -0.288 3.671 3.960 -0.000 0.000 0.248 365 G C 0.711 175.643 174.900 0.053 0.000 0.979 365 G CA 0.967 46.089 45.100 0.036 0.000 0.650 365 G HN 1.217 nan 8.290 nan 0.000 0.529 366 T N -2.857 111.731 114.554 0.057 0.000 3.069 366 T HA 0.570 4.919 4.350 -0.000 0.000 0.252 366 T C 0.880 175.615 174.700 0.058 0.000 1.053 366 T CA 0.199 62.328 62.100 0.047 0.000 0.964 366 T CB 0.698 69.587 68.868 0.034 0.000 1.005 366 T HN 0.389 nan 8.240 nan 0.000 0.532 367 R N 1.267 121.822 120.500 0.092 0.000 2.774 367 R HA 0.581 4.921 4.340 -0.000 0.000 0.272 367 R C -0.400 175.980 176.300 0.132 0.000 1.000 367 R CA -0.384 55.767 56.100 0.085 0.000 0.906 367 R CB 1.642 31.986 30.300 0.073 0.000 1.227 367 R HN 0.429 nan 8.270 nan 0.000 0.468 368 T N -2.553 112.022 114.554 0.035 0.000 2.922 368 T HA 0.285 4.634 4.350 -0.000 0.000 0.281 368 T C 1.236 175.707 174.700 -0.380 0.000 1.005 368 T CA -0.689 61.395 62.100 -0.026 0.000 0.982 368 T CB 0.896 69.750 68.868 -0.023 0.000 1.158 368 T HN 0.388 nan 8.240 nan 0.000 0.566 369 I N 0.901 121.084 120.570 -0.646 0.000 2.454 369 I HA -0.063 4.107 4.170 -0.000 0.000 0.254 369 I C 2.170 178.082 176.117 -0.341 0.000 1.156 369 I CA 1.134 61.961 61.300 -0.788 0.000 1.433 369 I CB -0.588 37.105 38.000 -0.513 0.000 1.082 369 I HN 0.615 nan 8.210 nan 0.000 0.432 370 V N 0.665 120.458 119.914 -0.201 0.000 2.407 370 V HA -0.281 3.839 4.120 -0.000 0.000 0.248 370 V C 2.188 178.225 176.094 -0.095 0.000 1.055 370 V CA 2.089 64.323 62.300 -0.110 0.000 1.049 370 V CB -0.945 30.838 31.823 -0.067 0.000 0.662 370 V HN 0.403 nan 8.190 nan 0.000 0.455 371 D N 0.105 120.444 120.400 -0.102 0.000 2.144 371 D HA -0.123 4.516 4.640 -0.000 0.000 0.199 371 D C 2.188 178.447 176.300 -0.069 0.000 0.984 371 D CA 1.314 55.275 54.000 -0.066 0.000 0.834 371 D CB -0.091 40.681 40.800 -0.046 0.000 0.955 371 D HN 0.362 nan 8.370 nan 0.000 0.465 372 V N 1.236 121.076 119.914 -0.122 0.000 2.307 372 V HA -0.193 3.927 4.120 -0.000 0.000 0.245 372 V C 2.657 178.720 176.094 -0.052 0.000 1.045 372 V CA 1.046 63.291 62.300 -0.091 0.000 1.024 372 V CB -0.432 31.296 31.823 -0.158 0.000 0.651 372 V HN 0.147 nan 8.190 nan 0.000 0.449 373 L N -0.228 120.954 121.223 -0.069 0.000 2.046 373 L HA -0.164 4.175 4.340 -0.000 0.000 0.208 373 L C 2.375 179.247 176.870 0.003 0.000 1.077 373 L CA 1.541 56.369 54.840 -0.020 0.000 0.747 373 L CB -0.873 41.169 42.059 -0.028 0.000 0.896 373 L HN 0.299 nan 8.230 nan 0.000 0.432 374 D N 0.484 120.878 120.400 -0.011 0.000 2.149 374 D HA -0.178 4.461 4.640 -0.000 0.000 0.198 374 D C 2.214 178.521 176.300 0.011 0.000 0.990 374 D CA 1.596 55.597 54.000 0.001 0.000 0.839 374 D CB -0.033 40.762 40.800 -0.008 0.000 0.948 374 D HN 0.358 nan 8.370 nan 0.000 0.460 375 A N 0.173 122.996 122.820 0.005 0.000 1.968 375 A HA -0.089 4.231 4.320 -0.000 0.000 0.217 375 A C 2.326 179.923 177.584 0.023 0.000 1.169 375 A CA 1.520 53.561 52.037 0.006 0.000 0.638 375 A CB -0.580 18.419 19.000 -0.001 0.000 0.812 375 A HN 0.170 nan 8.150 nan 0.000 0.446 376 T N -0.141 114.448 114.554 0.058 0.000 2.777 376 T HA -0.101 4.248 4.350 -0.000 0.000 0.266 376 T C 2.005 176.826 174.700 0.202 0.000 1.040 376 T CA 1.935 64.121 62.100 0.143 0.000 1.141 376 T CB -0.410 68.555 68.868 0.161 0.000 0.868 376 T HN 0.545 nan 8.240 nan 0.000 0.444 377 T N 1.853 116.481 114.554 0.124 0.000 2.737 377 T HA -0.098 4.252 4.350 -0.000 0.000 0.265 377 T C 2.318 177.059 174.700 0.069 0.000 1.038 377 T CA 1.601 63.768 62.100 0.110 0.000 1.144 377 T CB -0.708 68.196 68.868 0.059 0.000 0.866 377 T HN 0.393 nan 8.240 nan 0.000 0.434 378 T N 2.731 117.303 114.554 0.030 0.000 2.684 378 T HA -0.085 4.265 4.350 -0.000 0.000 0.267 378 T C 1.912 176.586 174.700 -0.043 0.000 1.036 378 T CA 1.062 63.161 62.100 -0.000 0.000 1.148 378 T CB -0.563 68.302 68.868 -0.005 0.000 0.863 378 T HN 0.129 nan 8.240 nan 0.000 0.436 379 L N 0.232 121.403 121.223 -0.087 0.000 1.989 379 L HA -0.106 4.234 4.340 -0.000 0.000 0.211 379 L C 2.124 178.780 176.870 -0.358 0.000 1.071 379 L CA 1.823 56.524 54.840 -0.232 0.000 0.749 379 L CB -0.924 40.938 42.059 -0.328 0.000 0.890 379 L HN 0.247 nan 8.230 nan 0.000 0.431 380 Y N 0.099 120.352 120.300 -0.078 0.000 2.352 380 Y HA -0.141 4.409 4.550 -0.000 0.000 0.292 380 Y C 2.453 178.258 175.900 -0.158 0.000 1.136 380 Y CA 1.727 59.754 58.100 -0.121 0.000 1.227 380 Y CB -0.714 37.724 38.460 -0.037 0.000 0.991 380 Y HN 0.424 nan 8.280 nan 0.000 0.545 381 N N -0.429 118.266 118.700 -0.008 0.000 2.106 381 N HA -0.164 4.576 4.740 -0.000 0.000 0.188 381 N C 2.061 177.478 175.510 -0.155 0.000 1.029 381 N CA 0.764 53.782 53.050 -0.055 0.000 0.848 381 N CB -0.246 38.228 38.487 -0.022 0.000 1.007 381 N HN 0.312 nan 8.380 nan 0.000 0.423 382 A N 1.984 124.719 122.820 -0.143 0.000 1.908 382 A HA -0.185 4.134 4.320 -0.000 0.000 0.218 382 A C 2.031 179.451 177.584 -0.272 0.000 1.181 382 A CA 1.402 53.353 52.037 -0.143 0.000 0.627 382 A CB -0.347 18.620 19.000 -0.053 0.000 0.818 382 A HN 0.203 nan 8.150 nan 0.000 0.445 383 K N -0.569 119.613 120.400 -0.364 0.000 2.032 383 K HA -0.201 4.119 4.320 -0.000 0.000 0.209 383 K C 2.372 178.608 176.600 -0.606 0.000 1.048 383 K CA 1.733 57.681 56.287 -0.565 0.000 0.927 383 K CB -0.253 31.709 32.500 -0.897 0.000 0.712 383 K HN 0.630 nan 8.250 nan 0.000 0.441 384 Q N 0.588 120.109 119.800 -0.465 0.000 2.061 384 Q HA -0.177 4.163 4.340 -0.000 0.000 0.204 384 Q C 2.045 177.922 176.000 -0.205 0.000 0.984 384 Q CA 1.243 56.931 55.803 -0.191 0.000 0.846 384 Q CB -0.018 28.689 28.738 -0.051 0.000 0.902 384 Q HN 0.291 nan 8.270 nan 0.000 0.421 385 E N 0.655 120.623 120.200 -0.388 0.000 2.110 385 E HA -0.184 4.165 4.350 -0.000 0.000 0.193 385 E C 2.083 178.351 176.600 -0.553 0.000 0.988 385 E CA 0.714 56.731 56.400 -0.639 0.000 0.804 385 E CB -0.201 28.635 29.700 -1.440 0.000 0.745 385 E HN 0.223 nan 8.360 nan 0.000 0.458 386 L N 1.028 122.008 121.223 -0.405 0.000 2.027 386 L HA -0.054 4.286 4.340 -0.000 0.000 0.206 386 L C 2.235 179.018 176.870 -0.146 0.000 1.074 386 L CA 2.133 56.878 54.840 -0.158 0.000 0.745 386 L CB -0.762 41.238 42.059 -0.099 0.000 0.898 386 L HN 0.013 nan 8.230 nan 0.000 0.433 387 A N -0.456 122.305 122.820 -0.099 0.000 1.933 387 A HA -0.251 4.069 4.320 -0.000 0.000 0.218 387 A C 2.305 179.887 177.584 -0.003 0.000 1.175 387 A CA 1.792 53.809 52.037 -0.033 0.000 0.628 387 A CB -1.026 18.119 19.000 0.241 0.000 0.814 387 A HN 0.706 nan 8.150 nan 0.000 0.444 388 N N 0.211 118.947 118.700 0.060 0.000 2.270 388 N HA -0.080 4.659 4.740 -0.000 0.000 0.181 388 N C 1.857 177.407 175.510 0.067 0.000 1.016 388 N CA 1.121 54.256 53.050 0.142 0.000 0.870 388 N CB -0.152 38.372 38.487 0.062 0.000 0.979 388 N HN 0.366 nan 8.380 nan 0.000 0.431 389 A N 1.546 124.361 122.820 -0.009 0.000 1.930 389 A HA -0.071 4.249 4.320 -0.000 0.000 0.217 389 A C 2.268 179.853 177.584 0.002 0.000 1.175 389 A CA 0.748 52.807 52.037 0.036 0.000 0.627 389 A CB -0.337 18.718 19.000 0.092 0.000 0.815 389 A HN 0.320 nan 8.150 nan 0.000 0.443 390 R N -1.647 118.748 120.500 -0.175 0.000 2.066 390 R HA -0.120 4.219 4.340 -0.000 0.000 0.232 390 R C 2.020 178.157 176.300 -0.273 0.000 1.131 390 R CA 1.758 57.662 56.100 -0.327 0.000 0.955 390 R CB -0.555 29.218 30.300 -0.878 0.000 0.851 390 R HN 0.702 nan 8.270 nan 0.000 0.432 391 Y N 1.020 121.259 120.300 -0.102 0.000 2.181 391 Y HA -0.191 4.359 4.550 -0.000 0.000 0.288 391 Y C 2.043 177.896 175.900 -0.079 0.000 1.146 391 Y CA 1.384 59.400 58.100 -0.140 0.000 1.164 391 Y CB -0.418 38.009 38.460 -0.056 0.000 0.982 391 Y HN 0.197 nan 8.280 nan 0.000 0.515 392 N N -0.921 117.861 118.700 0.137 0.000 2.166 392 N HA -0.258 4.482 4.740 -0.000 0.000 0.186 392 N C 1.658 177.221 175.510 0.088 0.000 1.019 392 N CA 1.110 54.220 53.050 0.100 0.000 0.856 392 N CB -0.387 38.159 38.487 0.098 0.000 0.993 392 N HN 0.317 nan 8.380 nan 0.000 0.426 393 Y N 2.086 122.385 120.300 -0.000 0.000 2.097 393 Y HA -0.165 4.385 4.550 -0.000 0.000 0.282 393 Y C 1.922 177.814 175.900 -0.013 0.000 1.152 393 Y CA 1.405 59.511 58.100 0.011 0.000 1.136 393 Y CB -0.514 37.990 38.460 0.073 0.000 0.975 393 Y HN -0.015 nan 8.280 nan 0.000 0.498 394 L N -0.469 120.657 121.223 -0.163 0.000 2.083 394 L HA -0.229 4.111 4.340 -0.000 0.000 0.209 394 L C 2.360 179.093 176.870 -0.228 0.000 1.083 394 L CA 0.686 55.335 54.840 -0.318 0.000 0.752 394 L CB -0.589 41.218 42.059 -0.420 0.000 0.899 394 L HN 0.284 nan 8.230 nan 0.000 0.433 395 I N 0.117 120.616 120.570 -0.118 0.000 2.202 395 I HA -0.241 3.928 4.170 -0.000 0.000 0.242 395 I C 2.219 178.306 176.117 -0.049 0.000 1.091 395 I CA 1.388 62.679 61.300 -0.016 0.000 1.368 395 I CB -1.273 36.755 38.000 0.047 0.000 1.058 395 I HN 0.364 nan 8.210 nan 0.000 0.410 396 N N 0.741 119.393 118.700 -0.080 0.000 2.289 396 N HA -0.167 4.572 4.740 -0.000 0.000 0.184 396 N C 1.764 177.201 175.510 -0.122 0.000 1.016 396 N CA 0.844 53.849 53.050 -0.075 0.000 0.872 396 N CB -0.101 38.354 38.487 -0.053 0.000 0.973 396 N HN 0.471 nan 8.380 nan 0.000 0.433 397 Q N 0.286 119.949 119.800 -0.228 0.000 2.119 397 Q HA -0.032 4.307 4.340 -0.000 0.000 0.201 397 Q C 1.968 177.902 176.000 -0.110 0.000 0.972 397 Q CA 0.617 56.289 55.803 -0.217 0.000 0.847 397 Q CB -0.201 28.349 28.738 -0.313 0.000 0.903 397 Q HN 0.248 nan 8.270 nan 0.000 0.433 398 L N 1.195 122.368 121.223 -0.083 0.000 2.017 398 L HA -0.179 4.160 4.340 -0.000 0.000 0.208 398 L C 1.755 178.609 176.870 -0.027 0.000 1.073 398 L CA 1.721 56.538 54.840 -0.038 0.000 0.745 398 L CB -1.061 40.998 42.059 -0.000 0.000 0.894 398 L HN 0.267 nan 8.230 nan 0.000 0.432 399 N N -0.805 117.882 118.700 -0.022 0.000 2.120 399 N HA -0.170 4.570 4.740 -0.000 0.000 0.188 399 N C 2.012 177.518 175.510 -0.005 0.000 1.024 399 N CA 0.957 54.003 53.050 -0.007 0.000 0.852 399 N CB -0.089 38.400 38.487 0.003 0.000 1.003 399 N HN 0.255 nan 8.380 nan 0.000 0.424 400 I N 1.052 121.615 120.570 -0.010 0.000 2.226 400 I HA -0.242 3.928 4.170 -0.000 0.000 0.245 400 I C 2.108 178.224 176.117 -0.002 0.000 1.100 400 I CA 1.032 62.336 61.300 0.006 0.000 1.374 400 I CB 0.105 38.114 38.000 0.016 0.000 1.057 400 I HN 0.044 nan 8.210 nan 0.000 0.413 401 K N 0.157 120.548 120.400 -0.016 0.000 2.057 401 K HA -0.171 4.149 4.320 -0.000 0.000 0.207 401 K C 2.294 178.885 176.600 -0.015 0.000 1.049 401 K CA 1.602 57.879 56.287 -0.018 0.000 0.931 401 K CB -0.746 31.735 32.500 -0.031 0.000 0.714 401 K HN 0.253 nan 8.250 nan 0.000 0.440 402 S N 0.380 116.071 115.700 -0.015 0.000 2.368 402 S HA -0.112 4.358 4.470 -0.000 0.000 0.225 402 S C 1.893 176.491 174.600 -0.004 0.000 1.030 402 S CA 1.382 59.575 58.200 -0.012 0.000 0.999 402 S CB -0.133 63.061 63.200 -0.010 0.000 0.844 402 S HN 0.331 nan 8.310 nan 0.000 0.459 403 A N 0.677 123.498 122.820 0.000 0.000 2.168 403 A HA 0.269 4.589 4.320 -0.000 0.000 0.215 403 A C 2.035 179.623 177.584 0.005 0.000 1.152 403 A CA 0.622 52.661 52.037 0.004 0.000 0.716 403 A CB -0.439 18.565 19.000 0.007 0.000 0.794 403 A HN 0.593 nan 8.150 nan 0.000 0.465 404 L N -1.853 119.372 121.223 0.004 0.000 2.270 404 L HA 0.146 4.486 4.340 -0.000 0.000 0.210 404 L C 1.821 178.694 176.870 0.005 0.000 1.104 404 L CA 0.839 55.682 54.840 0.005 0.000 0.804 404 L CB -0.214 41.847 42.059 0.003 0.000 0.937 404 L HN 0.565 nan 8.230 nan 0.000 0.450 405 G N 0.113 108.914 108.800 0.001 0.000 2.144 405 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.218 405 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.218 405 G C 0.656 175.554 174.900 -0.003 0.000 0.988 405 G CA 0.443 45.544 45.100 0.002 0.000 0.659 405 G HN 0.348 nan 8.290 nan 0.000 0.522 406 T N -1.800 112.749 114.554 -0.008 0.000 3.231 406 T HA 0.555 4.905 4.350 -0.000 0.000 0.292 406 T C 0.817 175.503 174.700 -0.023 0.000 1.001 406 T CA -0.114 61.979 62.100 -0.012 0.000 0.920 406 T CB 0.397 69.260 68.868 -0.008 0.000 1.140 406 T HN 0.585 nan 8.240 nan 0.000 0.525 407 L N 3.521 124.726 121.223 -0.030 0.000 2.499 407 L HA 0.371 4.710 4.340 -0.000 0.000 0.273 407 L C -0.218 176.616 176.870 -0.060 0.000 1.195 407 L CA 0.239 55.050 54.840 -0.048 0.000 0.882 407 L CB 0.190 42.217 42.059 -0.053 0.000 1.133 407 L HN 0.679 nan 8.230 nan 0.000 0.483 408 N N 1.206 119.861 118.700 -0.076 0.000 3.316 408 N HA 0.186 4.926 4.740 -0.000 0.000 0.300 408 N C -0.225 175.213 175.510 -0.120 0.000 1.567 408 N CA -0.796 52.209 53.050 -0.077 0.000 0.821 408 N CB 0.506 38.969 38.487 -0.039 0.000 1.748 408 N HN 0.414 nan 8.380 nan 0.000 0.603 409 E N -0.905 119.242 120.200 -0.089 0.000 2.347 409 E HA -0.075 4.275 4.350 -0.000 0.000 0.196 409 E C 0.704 177.259 176.600 -0.075 0.000 1.008 409 E CA 0.672 57.009 56.400 -0.105 0.000 0.852 409 E CB -0.055 29.653 29.700 0.014 0.000 0.783 409 E HN 0.433 nan 8.360 nan 0.000 0.505 410 Q N 0.845 120.615 119.800 -0.050 0.000 2.172 410 Q HA -0.108 4.232 4.340 -0.000 0.000 0.200 410 Q C 1.494 177.464 176.000 -0.050 0.000 0.964 410 Q CA 0.918 56.699 55.803 -0.038 0.000 0.855 410 Q CB -0.118 28.606 28.738 -0.022 0.000 0.918 410 Q HN 0.315 nan 8.270 nan 0.000 0.444 411 D N 0.593 120.955 120.400 -0.065 0.000 2.178 411 D HA -0.119 4.521 4.640 -0.000 0.000 0.201 411 D C 1.977 178.229 176.300 -0.079 0.000 0.980 411 D CA 0.507 54.468 54.000 -0.065 0.000 0.842 411 D CB 0.024 40.781 40.800 -0.071 0.000 0.948 411 D HN 0.140 nan 8.370 nan 0.000 0.472 412 L N 0.725 121.871 121.223 -0.128 0.000 2.109 412 L HA -0.066 4.274 4.340 -0.000 0.000 0.207 412 L C 2.096 178.903 176.870 -0.105 0.000 1.086 412 L CA 0.769 55.511 54.840 -0.163 0.000 0.760 412 L CB -0.101 41.780 42.059 -0.296 0.000 0.910 412 L HN 0.035 nan 8.230 nan 0.000 0.437 413 L N -0.638 120.540 121.223 -0.075 0.000 2.093 413 L HA -0.095 4.245 4.340 -0.000 0.000 0.208 413 L C 2.427 179.281 176.870 -0.026 0.000 1.085 413 L CA 1.949 56.763 54.840 -0.043 0.000 0.755 413 L CB -0.975 41.068 42.059 -0.027 0.000 0.904 413 L HN 0.360 nan 8.230 nan 0.000 0.435 414 A N -0.024 122.782 122.820 -0.023 0.000 1.930 414 A HA -0.148 4.172 4.320 -0.000 0.000 0.217 414 A C 2.267 179.859 177.584 0.013 0.000 1.175 414 A CA 1.221 53.254 52.037 -0.007 0.000 0.627 414 A CB -0.534 18.458 19.000 -0.013 0.000 0.815 414 A HN 0.481 nan 8.150 nan 0.000 0.443 415 L N -0.613 120.621 121.223 0.019 0.000 2.093 415 L HA -0.183 4.157 4.340 -0.000 0.000 0.208 415 L C 2.431 179.350 176.870 0.080 0.000 1.085 415 L CA 1.611 56.503 54.840 0.086 0.000 0.755 415 L CB -0.460 41.673 42.059 0.124 0.000 0.904 415 L HN 0.539 nan 8.230 nan 0.000 0.435 416 N N 0.365 119.062 118.700 -0.005 0.000 2.289 416 N HA -0.190 4.550 4.740 -0.000 0.000 0.184 416 N C 1.377 176.898 175.510 0.017 0.000 1.016 416 N CA 1.185 54.216 53.050 -0.032 0.000 0.872 416 N CB -0.057 38.384 38.487 -0.077 0.000 0.973 416 N HN 0.321 nan 8.380 nan 0.000 0.433 417 N N -0.795 117.921 118.700 0.027 0.000 2.512 417 N HA 0.011 4.751 4.740 -0.000 0.000 0.183 417 N C 0.828 176.375 175.510 0.062 0.000 1.073 417 N CA 0.524 53.595 53.050 0.035 0.000 0.911 417 N CB 0.067 38.567 38.487 0.022 0.000 0.964 417 N HN 0.248 nan 8.380 nan 0.000 0.447 418 A N 0.438 123.316 122.820 0.096 0.000 2.278 418 A HA 0.189 4.508 4.320 -0.000 0.000 0.212 418 A C 0.437 178.122 177.584 0.169 0.000 1.213 418 A CA 0.058 52.177 52.037 0.136 0.000 0.840 418 A CB -0.049 19.055 19.000 0.175 0.000 0.866 418 A HN 0.111 nan 8.150 nan 0.000 0.489 419 L N -0.540 120.770 121.223 0.145 0.000 2.352 419 L HA 0.571 4.911 4.340 -0.000 0.000 0.269 419 L C 1.072 178.006 176.870 0.107 0.000 1.034 419 L CA -0.015 54.918 54.840 0.155 0.000 0.806 419 L CB 1.873 44.020 42.059 0.146 0.000 1.244 419 L HN 0.377 nan 8.230 nan 0.000 0.447 420 S N 0.063 115.824 115.700 0.102 0.000 4.848 420 S HA 0.247 4.717 4.470 -0.000 0.000 0.151 420 S C -0.167 174.471 174.600 0.063 0.000 1.055 420 S CA -0.708 57.535 58.200 0.072 0.000 1.208 420 S CB 0.174 63.413 63.200 0.065 0.000 2.035 420 S HN 0.461 nan 8.310 nan 0.000 0.792 421 K N 3.052 123.486 120.400 0.057 0.000 2.237 421 K HA 0.521 4.841 4.320 -0.000 0.000 0.270 421 K C -2.827 173.796 176.600 0.039 0.000 1.015 421 K CA -1.748 54.565 56.287 0.042 0.000 0.949 421 K CB 0.061 32.582 32.500 0.035 0.000 0.976 421 K HN 0.251 nan 8.250 nan 0.000 0.472 422 P HA 0.093 nan 4.420 nan 0.000 0.271 422 P C -0.940 176.361 177.300 0.003 0.000 1.218 422 P CA -0.312 62.797 63.100 0.015 0.000 0.780 422 P CB 0.729 32.436 31.700 0.012 0.000 0.901 423 V N 1.079 120.985 119.914 -0.014 0.000 2.888 423 V HA 0.327 4.447 4.120 -0.000 0.000 0.309 423 V C 0.001 176.070 176.094 -0.042 0.000 1.114 423 V CA -0.717 61.568 62.300 -0.027 0.000 0.940 423 V CB 2.139 33.942 31.823 -0.032 0.000 1.021 423 V HN 0.559 nan 8.190 nan 0.000 0.426 424 S N 1.775 117.454 115.700 -0.035 0.000 2.565 424 S HA 0.195 4.665 4.470 -0.000 0.000 0.276 424 S C 1.213 175.783 174.600 -0.049 0.000 1.326 424 S CA 0.385 58.565 58.200 -0.033 0.000 1.045 424 S CB 1.150 64.340 63.200 -0.016 0.000 0.918 424 S HN 1.131 nan 8.310 nan 0.000 0.505 425 T N 0.852 115.373 114.554 -0.056 0.000 3.107 425 T HA 0.209 4.559 4.350 -0.000 0.000 0.249 425 T C 0.492 175.190 174.700 -0.003 0.000 1.096 425 T CA -0.028 62.036 62.100 -0.059 0.000 1.012 425 T CB -0.552 68.254 68.868 -0.103 0.000 0.977 425 T HN 0.677 nan 8.240 nan 0.000 0.527 426 N N 1.907 120.617 118.700 0.017 0.000 2.711 426 N HA 0.232 4.971 4.740 -0.000 0.000 0.263 426 N C -2.991 172.528 175.510 0.015 0.000 1.667 426 N CA -1.004 52.069 53.050 0.038 0.000 0.785 426 N CB 1.525 40.069 38.487 0.095 0.000 1.231 426 N HN 0.234 nan 8.380 nan 0.000 0.503 427 P HA 0.350 nan 4.420 nan 0.000 0.281 427 P C -0.793 176.498 177.300 -0.014 0.000 1.281 427 P CA -0.165 62.928 63.100 -0.012 0.000 0.811 427 P CB 2.045 33.730 31.700 -0.025 0.000 1.154 428 E N 0.000 120.190 120.200 -0.017 0.000 2.725 428 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 428 E CA 0.000 56.387 56.400 -0.022 0.000 0.976 428 E CB 0.000 29.688 29.700 -0.020 0.000 0.812 428 E HN 0.000 nan 8.360 nan 0.000 0.440