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 3ict_1_A DATA FIRST_RESID -2 DATA SEQUENCE DRWGSRKIVV VGGVAGGASV AARLRRLSEE DEIIXVERGE YISFANCGLP DATA SEQUENCE YYIGGVITER QKLLVQTVER XSKRFNLDIR VLSEVVKINK EEKTITIKNV DATA SEQUENCE TTNETYNEAY DVLILSPGAK PIVPSIPGIE EAKALFTLRN VPDTDRIKAY DATA SEQUENCE IDEKKPRHAT VIGGGFIGVE XVENLRERGI EVTLVEXANQ VXPPIDYEXA DATA SEQUENCE AYVHEHXKNH DVELVFEDGV DALEENGAVV RLKSGSVIQT DXLILAIGVQ DATA SEQUENCE PESSLAKGAG LALGVRGTIK VNEKFQTSDP HIYAIGDAIE VKDFVTETET DATA SEQUENCE XIPLAWPANR QGRXLADIIH GHTDSLYKGT LGTSVAKVFD LTVATTGLNE DATA SEQUENCE KILKRLNIPY EVVHVQANSH AGYYPNATPV LIKLIFNKDS GKIYGAQTLG DATA SEQUENCE RDGVDKRXDV IATAIKANLT VLDLPDLELS YAPPYSSAKD PVNXVGYAAS DATA SEQUENCE NIVDGFVDTV QWHEIDRIVE NGGYLIDVRE PNELKQGXIK GSINIPLDEL DATA SEQUENCE RDRLEEVPVD KDIYITCQLG XRGYVAARXL XEKGYKVKNV DGGFKLYGTV DATA SEQUENCE LPERIVY 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 -2 D HA 0.000 nan 4.640 nan 0.000 0.175 -2 D C 0.000 176.308 176.300 0.014 0.000 2.045 -2 D CA 0.000 54.005 54.000 0.009 0.000 0.868 -2 D CB 0.000 nan 40.800 nan 0.000 0.688 -1 R N -1.954 118.554 120.500 0.012 0.000 5.361 -1 R HA 0.726 5.066 4.340 -0.000 0.000 0.073 -1 R C -0.132 176.179 176.300 0.020 0.000 0.621 -1 R CA 1.399 57.513 56.100 0.023 0.000 1.339 -1 R CB -0.955 nan 30.300 nan 0.000 0.904 -1 R HN 2.541 nan 8.270 nan 0.000 0.404 0 W N 0.520 121.834 121.300 0.022 0.000 3.326 0 W HA 0.697 5.357 4.660 -0.000 0.000 0.333 0 W C 0.227 176.748 176.519 0.003 0.000 1.108 0 W CA -0.811 56.539 57.345 0.009 0.000 1.245 0 W CB 0.706 nan 29.460 nan 0.000 1.331 0 W HN 1.551 nan 8.180 nan 0.000 0.464 1 G N 2.759 111.548 108.800 -0.019 0.000 2.339 1 G HA2 0.555 4.515 3.960 -0.000 0.000 0.287 1 G HA3 0.555 4.515 3.960 -0.000 0.000 0.287 1 G C 0.541 175.431 174.900 -0.016 0.000 1.163 1 G CA 0.443 45.535 45.100 -0.012 0.000 0.872 1 G HN 1.929 nan 8.290 nan 0.000 0.464 2 S N 2.453 118.155 115.700 0.002 0.000 2.560 2 S HA 0.408 4.878 4.470 -0.000 0.000 0.284 2 S C 0.438 175.039 174.600 0.001 0.000 1.327 2 S CA -0.327 57.879 58.200 0.010 0.000 1.055 2 S CB 0.762 63.975 63.200 0.021 0.000 0.868 2 S HN 0.910 nan 8.310 nan 0.000 0.506 3 R N 1.080 121.582 120.500 0.005 0.000 2.855 3 R HA 0.532 4.872 4.340 -0.000 0.000 0.266 3 R C -1.322 174.997 176.300 0.030 0.000 1.034 3 R CA -1.220 54.886 56.100 0.011 0.000 0.944 3 R CB 1.253 31.555 30.300 0.003 0.000 1.219 3 R HN 0.664 nan 8.270 nan 0.000 0.474 4 K N 1.911 122.336 120.400 0.042 0.000 2.262 4 K HA 0.346 4.666 4.320 -0.000 0.000 0.282 4 K C -0.948 175.705 176.600 0.088 0.000 1.066 4 K CA -0.386 55.938 56.287 0.061 0.000 0.901 4 K CB 0.608 33.146 32.500 0.064 0.000 1.089 4 K HN 0.495 nan 8.250 nan 0.000 0.476 5 I N 4.728 125.340 120.570 0.070 0.000 2.362 5 I HA 0.221 4.391 4.170 -0.000 0.000 0.289 5 I C -0.691 175.454 176.117 0.047 0.000 0.994 5 I CA -1.105 60.230 61.300 0.060 0.000 1.158 5 I CB 1.950 39.968 38.000 0.031 0.000 1.315 5 I HN 0.225 nan 8.210 nan 0.000 0.451 6 V N 7.265 127.199 119.914 0.034 0.000 2.417 6 V HA 0.398 4.518 4.120 -0.000 0.000 0.291 6 V C -0.077 175.992 176.094 -0.042 0.000 1.024 6 V CA -0.676 61.629 62.300 0.007 0.000 0.861 6 V CB 1.977 33.814 31.823 0.023 0.000 0.985 6 V HN 0.383 nan 8.190 nan 0.000 0.436 7 V N 5.658 125.553 119.914 -0.032 0.000 2.417 7 V HA 0.426 4.546 4.120 -0.000 0.000 0.291 7 V C -0.159 175.909 176.094 -0.043 0.000 1.024 7 V CA -0.624 61.647 62.300 -0.050 0.000 0.861 7 V CB 1.921 33.712 31.823 -0.053 0.000 0.985 7 V HN 0.601 nan 8.190 nan 0.000 0.436 8 V N 4.093 123.975 119.914 -0.054 0.000 2.318 8 V HA 0.873 4.993 4.120 -0.000 0.000 0.271 8 V C 0.573 176.645 176.094 -0.037 0.000 1.030 8 V CA 0.252 62.527 62.300 -0.043 0.000 0.844 8 V CB 0.593 32.385 31.823 -0.052 0.000 1.015 8 V HN 1.291 nan 8.190 nan 0.000 0.460 9 G N 3.458 112.245 108.800 -0.020 0.000 3.226 9 G HA2 0.245 4.205 3.960 -0.000 0.000 0.685 9 G HA3 0.245 4.205 3.960 -0.000 0.000 0.685 9 G C 0.056 174.944 174.900 -0.020 0.000 1.207 9 G CA -0.438 44.653 45.100 -0.015 0.000 0.877 9 G HN 1.203 nan 8.290 nan 0.000 0.585 10 G N 0.299 109.102 108.800 0.005 0.000 4.044 10 G HA2 0.636 4.596 3.960 -0.000 0.000 0.297 10 G HA3 0.636 4.596 3.960 -0.000 0.000 0.297 10 G C 0.597 175.490 174.900 -0.011 0.000 1.101 10 G CA 0.745 45.848 45.100 0.005 0.000 0.884 10 G HN 1.162 nan 8.290 nan 0.000 0.538 11 V N -0.105 119.772 119.914 -0.062 0.000 5.546 11 V HA 0.678 4.798 4.120 -0.000 0.000 0.279 11 V C 2.237 178.238 176.094 -0.156 0.000 1.521 11 V CA 0.185 62.397 62.300 -0.147 0.000 0.732 11 V CB 0.000 31.669 31.823 -0.257 0.000 1.397 11 V HN 0.190 nan 8.190 nan 0.000 0.420 12 A N 0.632 123.339 122.820 -0.187 0.000 1.870 12 A HA -0.238 4.082 4.320 -0.000 0.000 0.219 12 A C 2.170 179.653 177.584 -0.168 0.000 1.286 12 A CA 3.233 55.169 52.037 -0.168 0.000 0.682 12 A CB -1.754 17.153 19.000 -0.154 0.000 0.844 12 A HN 1.181 nan 8.150 nan 0.000 0.460 13 G N -1.646 107.057 108.800 -0.163 0.000 2.421 13 G HA2 0.068 4.028 3.960 -0.000 0.000 0.216 13 G HA3 0.068 4.028 3.960 -0.000 0.000 0.216 13 G C 1.566 176.360 174.900 -0.176 0.000 1.171 13 G CA 1.430 46.417 45.100 -0.189 0.000 0.775 13 G HN 0.915 nan 8.290 nan 0.000 0.543 14 G N 1.094 109.812 108.800 -0.137 0.000 2.433 14 G HA2 0.051 4.011 3.960 -0.000 0.000 0.216 14 G HA3 0.051 4.011 3.960 -0.000 0.000 0.216 14 G C 2.097 176.923 174.900 -0.122 0.000 1.186 14 G CA 1.642 46.673 45.100 -0.116 0.000 0.779 14 G HN 0.651 nan 8.290 nan 0.000 0.543 15 A N 1.249 124.000 122.820 -0.116 0.000 1.902 15 A HA -0.059 4.260 4.320 -0.000 0.000 0.217 15 A C 2.757 180.240 177.584 -0.169 0.000 1.181 15 A CA 2.783 54.750 52.037 -0.118 0.000 0.623 15 A CB -0.780 18.166 19.000 -0.091 0.000 0.818 15 A HN 0.755 nan 8.150 nan 0.000 0.443 16 S N -0.717 114.875 115.700 -0.180 0.000 2.402 16 S HA -0.092 4.378 4.470 -0.000 0.000 0.229 16 S C 1.813 176.278 174.600 -0.225 0.000 1.021 16 S CA 1.172 59.248 58.200 -0.207 0.000 0.974 16 S CB -0.819 62.253 63.200 -0.213 0.000 0.800 16 S HN 0.478 nan 8.310 nan 0.000 0.484 17 V N 2.018 121.804 119.914 -0.213 0.000 2.358 17 V HA 0.021 4.140 4.120 -0.000 0.000 0.246 17 V C 2.803 178.780 176.094 -0.194 0.000 1.047 17 V CA 1.705 63.883 62.300 -0.203 0.000 1.035 17 V CB -1.031 30.672 31.823 -0.200 0.000 0.658 17 V HN 0.602 nan 8.190 nan 0.000 0.452 18 A N -0.109 122.597 122.820 -0.191 0.000 1.902 18 A HA -0.051 4.269 4.320 -0.000 0.000 0.217 18 A C 2.417 179.816 177.584 -0.308 0.000 1.181 18 A CA 2.191 54.115 52.037 -0.187 0.000 0.623 18 A CB -1.015 17.902 19.000 -0.139 0.000 0.818 18 A HN 0.792 nan 8.150 nan 0.000 0.443 19 A N -0.236 122.310 122.820 -0.457 0.000 1.877 19 A HA -0.134 4.186 4.320 -0.000 0.000 0.216 19 A C 2.198 179.419 177.584 -0.605 0.000 1.186 19 A CA 2.121 53.629 52.037 -0.883 0.000 0.620 19 A CB -0.452 18.027 19.000 -0.868 0.000 0.822 19 A HN 0.457 nan 8.150 nan 0.000 0.443 20 R N 0.075 120.358 120.500 -0.361 0.000 2.096 20 R HA 0.015 4.355 4.340 -0.000 0.000 0.235 20 R C 1.862 178.036 176.300 -0.210 0.000 1.127 20 R CA 1.512 57.466 56.100 -0.243 0.000 0.968 20 R CB -0.910 29.274 30.300 -0.193 0.000 0.861 20 R HN 0.511 nan 8.270 nan 0.000 0.440 21 L N 0.036 121.147 121.223 -0.187 0.000 2.079 21 L HA -0.168 4.172 4.340 -0.000 0.000 0.210 21 L C 2.565 179.373 176.870 -0.103 0.000 1.081 21 L CA 1.621 56.388 54.840 -0.122 0.000 0.752 21 L CB -0.411 41.618 42.059 -0.049 0.000 0.896 21 L HN 0.168 nan 8.230 nan 0.000 0.433 22 R N 0.633 121.066 120.500 -0.111 0.000 2.075 22 R HA -0.103 4.237 4.340 -0.000 0.000 0.232 22 R C 2.285 178.590 176.300 0.008 0.000 1.126 22 R CA 1.426 57.516 56.100 -0.018 0.000 0.963 22 R CB -0.322 30.006 30.300 0.046 0.000 0.858 22 R HN 0.188 nan 8.270 nan 0.000 0.435 23 R N -0.110 120.371 120.500 -0.032 0.000 2.127 23 R HA -0.087 4.252 4.340 -0.000 0.000 0.238 23 R C 2.110 178.370 176.300 -0.066 0.000 1.134 23 R CA 1.543 57.636 56.100 -0.011 0.000 0.975 23 R CB -0.364 29.920 30.300 -0.027 0.000 0.865 23 R HN 0.278 nan 8.270 nan 0.000 0.447 24 L N -0.514 120.617 121.223 -0.154 0.000 2.270 24 L HA 0.037 4.377 4.340 -0.000 0.000 0.210 24 L C 0.791 177.569 176.870 -0.154 0.000 1.104 24 L CA 0.315 54.999 54.840 -0.259 0.000 0.804 24 L CB 0.250 41.920 42.059 -0.648 0.000 0.937 24 L HN 0.011 nan 8.230 nan 0.000 0.450 25 S N -1.236 114.434 115.700 -0.049 0.000 2.592 25 S HA 0.189 4.659 4.470 -0.000 0.000 0.275 25 S C 0.304 174.940 174.600 0.061 0.000 1.169 25 S CA -0.665 57.574 58.200 0.064 0.000 0.958 25 S CB 1.332 64.661 63.200 0.214 0.000 1.095 25 S HN 0.007 nan 8.310 nan 0.000 0.471 26 E N 2.568 122.802 120.200 0.056 0.000 2.285 26 E HA -0.018 4.332 4.350 -0.000 0.000 0.194 26 E C 1.321 177.952 176.600 0.052 0.000 0.997 26 E CA 0.739 57.171 56.400 0.053 0.000 0.845 26 E CB 0.201 29.926 29.700 0.042 0.000 0.782 26 E HN 0.825 nan 8.360 nan 0.000 0.491 27 E N 0.976 121.209 120.200 0.055 0.000 2.170 27 E HA -0.056 4.294 4.350 -0.000 0.000 0.191 27 E C -0.101 176.528 176.600 0.048 0.000 0.981 27 E CA 0.198 56.626 56.400 0.047 0.000 0.830 27 E CB 0.183 29.909 29.700 0.043 0.000 0.775 27 E HN 0.002 nan 8.360 nan 0.000 0.470 28 D N 1.630 122.067 120.400 0.062 0.000 2.472 28 D HA -0.050 4.590 4.640 -0.000 0.000 0.237 28 D C -0.265 176.065 176.300 0.050 0.000 1.141 28 D CA 0.435 54.469 54.000 0.058 0.000 0.875 28 D CB 0.652 41.500 40.800 0.080 0.000 1.192 28 D HN 0.191 nan 8.370 nan 0.000 0.450 29 E N 1.928 122.154 120.200 0.044 0.000 2.130 29 E HA 0.292 4.642 4.350 -0.000 0.000 0.284 29 E C -0.645 175.982 176.600 0.046 0.000 1.018 29 E CA -0.451 55.975 56.400 0.044 0.000 0.817 29 E CB 0.477 30.201 29.700 0.041 0.000 1.078 29 E HN 0.333 nan 8.360 nan 0.000 0.396 30 I N 6.403 126.999 120.570 0.043 0.000 2.389 30 I HA 0.351 4.521 4.170 -0.000 0.000 0.288 30 I C -0.161 175.978 176.117 0.037 0.000 0.999 30 I CA -0.413 60.908 61.300 0.035 0.000 1.129 30 I CB 1.242 39.255 38.000 0.022 0.000 1.288 30 I HN 0.458 nan 8.210 nan 0.000 0.444 34 E N 3.803 124.019 120.200 0.027 0.000 2.256 34 E HA 0.573 4.923 4.350 -0.000 0.000 0.268 34 E C 0.730 177.347 176.600 0.027 0.000 0.877 34 E CA -0.675 55.745 56.400 0.034 0.000 0.757 34 E CB 1.925 31.659 29.700 0.055 0.000 1.183 34 E HN 0.655 nan 8.360 nan 0.000 0.418 35 R N 2.560 123.077 120.500 0.028 0.000 2.200 35 R HA 0.255 4.595 4.340 -0.000 0.000 0.208 35 R C 0.858 177.163 176.300 0.008 0.000 1.033 35 R CA 0.623 56.732 56.100 0.015 0.000 1.000 35 R CB 0.006 30.314 30.300 0.014 0.000 0.906 35 R HN 0.331 nan 8.270 nan 0.000 0.462 36 G N 0.527 109.342 108.800 0.024 0.000 2.563 36 G HA2 -0.014 3.946 3.960 -0.000 0.000 0.283 36 G HA3 -0.014 3.946 3.960 -0.000 0.000 0.283 36 G C -0.184 174.671 174.900 -0.076 0.000 1.309 36 G CA -0.494 44.600 45.100 -0.010 0.000 1.022 36 G HN 0.278 nan 8.290 nan 0.000 0.501 37 E N -1.642 118.430 120.200 -0.213 0.000 2.358 37 E HA 0.024 4.374 4.350 -0.000 0.000 0.195 37 E C -0.527 175.754 176.600 -0.532 0.000 1.010 37 E CA 0.397 56.518 56.400 -0.465 0.000 0.856 37 E CB 0.076 29.302 29.700 -0.790 0.000 0.795 37 E HN 0.400 nan 8.360 nan 0.000 0.504 38 Y N 0.133 120.437 120.300 0.007 0.000 2.462 38 Y HA 0.352 4.901 4.550 -0.000 0.000 0.346 38 Y C 0.097 176.102 175.900 0.175 0.000 0.976 38 Y CA -1.351 56.785 58.100 0.059 0.000 1.044 38 Y CB 1.231 39.686 38.460 -0.008 0.000 1.230 38 Y HN -0.076 nan 8.280 nan 0.000 0.455 39 I N -1.459 119.303 120.570 0.320 0.000 2.707 39 I HA 0.644 4.814 4.170 -0.000 0.000 0.309 39 I C 0.371 176.624 176.117 0.227 0.000 1.001 39 I CA -0.983 60.459 61.300 0.237 0.000 1.129 39 I CB 1.787 39.866 38.000 0.132 0.000 1.308 39 I HN 0.636 nan 8.210 nan 0.000 0.466 40 S N 2.319 118.076 115.700 0.095 0.000 3.521 40 S HA -0.230 4.240 4.470 -0.000 0.000 0.362 40 S C -0.087 174.523 174.600 0.017 0.000 1.044 40 S CA 1.139 59.335 58.200 -0.005 0.000 1.091 40 S CB -2.389 60.822 63.200 0.019 0.000 0.908 40 S HN 0.726 nan 8.310 nan 0.000 0.473 41 F N -0.738 119.215 119.950 0.006 0.000 2.378 41 F HA 0.755 5.282 4.527 -0.000 0.000 0.319 41 F C 0.355 176.141 175.800 -0.023 0.000 1.155 41 F CA -0.923 57.056 58.000 -0.035 0.000 1.157 41 F CB 0.684 39.646 39.000 -0.064 0.000 1.252 41 F HN 0.091 nan 8.300 nan 0.000 0.550 42 A N 2.508 125.368 122.820 0.066 0.000 2.736 42 A HA 0.236 4.556 4.320 -0.000 0.000 0.335 42 A C 0.579 178.221 177.584 0.096 0.000 1.446 42 A CA -0.687 51.344 52.037 -0.011 0.000 1.028 42 A CB -1.014 18.003 19.000 0.029 0.000 1.154 42 A HN 0.797 nan 8.150 nan 0.000 0.507 43 N N 0.985 119.667 118.700 -0.029 0.000 2.459 43 N HA -0.123 4.616 4.740 -0.000 0.000 0.181 43 N C 1.094 176.679 175.510 0.126 0.000 1.046 43 N CA 1.523 54.680 53.050 0.177 0.000 0.904 43 N CB -0.890 37.727 38.487 0.216 0.000 0.964 43 N HN 0.505 nan 8.380 nan 0.000 0.444 44 C N -0.055 119.292 119.300 0.079 0.000 2.437 44 C HA 0.153 4.613 4.460 -0.000 0.000 0.283 44 C C 2.601 177.711 174.990 0.199 0.000 1.424 44 C CA 0.482 59.570 59.018 0.118 0.000 1.782 44 C CB -1.572 26.227 27.740 0.099 0.000 1.833 44 C HN 0.645 nan 8.230 nan 0.000 0.532 45 G N 0.226 109.143 108.800 0.195 0.000 2.683 45 G HA2 0.066 4.026 3.960 -0.000 0.000 0.213 45 G HA3 0.066 4.026 3.960 -0.000 0.000 0.213 45 G C 1.496 176.550 174.900 0.257 0.000 1.142 45 G CA -0.001 45.264 45.100 0.274 0.000 0.793 45 G HN 0.500 nan 8.290 nan 0.000 0.534 46 L N 0.876 122.208 121.223 0.181 0.000 1.997 46 L HA -0.127 4.212 4.340 -0.000 0.000 0.216 46 L C 0.109 177.036 176.870 0.096 0.000 1.074 46 L CA 1.659 56.594 54.840 0.159 0.000 0.763 46 L CB -1.381 40.760 42.059 0.136 0.000 0.890 46 L HN 0.169 nan 8.230 nan 0.000 0.434 47 P HA -0.189 nan 4.420 nan 0.000 0.215 47 P C 1.260 178.423 177.300 -0.228 0.000 1.153 47 P CA 1.511 64.484 63.100 -0.211 0.000 0.853 47 P CB -0.098 31.347 31.700 -0.426 0.000 0.788 48 Y N -2.550 117.776 120.300 0.043 0.000 2.293 48 Y HA -0.173 4.377 4.550 -0.000 0.000 0.291 48 Y C 2.532 178.478 175.900 0.077 0.000 1.137 48 Y CA 0.948 59.071 58.100 0.038 0.000 1.202 48 Y CB -1.426 37.057 38.460 0.039 0.000 0.990 48 Y HN -0.012 nan 8.280 nan 0.000 0.537 49 Y N 0.194 120.555 120.300 0.102 0.000 2.242 49 Y HA -0.163 4.387 4.550 -0.000 0.000 0.291 49 Y C 2.011 177.916 175.900 0.008 0.000 1.137 49 Y CA 0.944 59.073 58.100 0.049 0.000 1.181 49 Y CB -0.615 37.863 38.460 0.029 0.000 0.989 49 Y HN 0.075 nan 8.280 nan 0.000 0.527 50 I N -0.221 120.263 120.570 -0.144 0.000 2.226 50 I HA -0.226 3.944 4.170 -0.000 0.000 0.245 50 I C 2.501 178.508 176.117 -0.184 0.000 1.100 50 I CA 1.553 62.711 61.300 -0.236 0.000 1.374 50 I CB -0.820 37.090 38.000 -0.150 0.000 1.057 50 I HN 0.342 nan 8.210 nan 0.000 0.413 51 G N -0.359 108.377 108.800 -0.107 0.000 2.679 51 G HA2 0.091 4.051 3.960 -0.000 0.000 0.212 51 G HA3 0.091 4.051 3.960 -0.000 0.000 0.212 51 G C 1.428 176.306 174.900 -0.035 0.000 1.137 51 G CA 0.583 45.647 45.100 -0.060 0.000 0.787 51 G HN 0.592 nan 8.290 nan 0.000 0.534 52 G N -1.017 107.748 108.800 -0.059 0.000 2.162 52 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.260 52 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.260 52 G C 1.185 176.108 174.900 0.038 0.000 0.976 52 G CA 0.580 45.657 45.100 -0.037 0.000 0.655 52 G HN 0.472 nan 8.290 nan 0.000 0.533 53 V N 0.270 120.236 119.914 0.087 0.000 2.358 53 V HA 0.095 4.215 4.120 -0.000 0.000 0.246 53 V C 1.685 177.838 176.094 0.098 0.000 1.047 53 V CA 1.868 64.230 62.300 0.103 0.000 1.035 53 V CB -0.137 31.787 31.823 0.168 0.000 0.658 53 V HN 0.502 nan 8.190 nan 0.000 0.452 54 I N 0.842 121.506 120.570 0.157 0.000 2.315 54 I HA 0.157 4.327 4.170 -0.000 0.000 0.291 54 I C 1.342 177.599 176.117 0.233 0.000 1.006 54 I CA 0.105 61.508 61.300 0.172 0.000 1.265 54 I CB 1.590 39.714 38.000 0.207 0.000 1.387 54 I HN 0.206 nan 8.210 nan 0.000 0.475 55 T N 0.376 115.026 114.554 0.160 0.000 3.037 55 T HA 0.122 4.472 4.350 -0.000 0.000 0.251 55 T C 0.597 175.412 174.700 0.191 0.000 1.079 55 T CA 0.002 62.194 62.100 0.154 0.000 1.067 55 T CB 0.168 69.084 68.868 0.079 0.000 0.948 55 T HN 0.530 nan 8.240 nan 0.000 0.496 56 E N 1.334 121.613 120.200 0.132 0.000 2.092 56 E HA 0.331 4.681 4.350 -0.000 0.000 0.271 56 E C 1.055 177.618 176.600 -0.062 0.000 0.919 56 E CA -0.607 55.828 56.400 0.058 0.000 0.760 56 E CB 1.020 30.730 29.700 0.016 0.000 1.106 56 E HN 0.214 nan 8.360 nan 0.000 0.408 57 R N 3.067 123.469 120.500 -0.164 0.000 2.105 57 R HA -0.234 4.106 4.340 -0.000 0.000 0.239 57 R C 1.810 177.902 176.300 -0.348 0.000 1.135 57 R CA 1.857 57.631 56.100 -0.543 0.000 0.967 57 R CB 0.121 30.176 30.300 -0.408 0.000 0.861 57 R HN 0.438 nan 8.270 nan 0.000 0.442 58 Q N 0.928 120.615 119.800 -0.188 0.000 2.364 58 Q HA -0.113 4.227 4.340 -0.000 0.000 0.209 58 Q C 1.303 177.230 176.000 -0.122 0.000 0.977 58 Q CA 1.570 57.287 55.803 -0.144 0.000 0.885 58 Q CB 0.083 28.776 28.738 -0.075 0.000 0.941 58 Q HN 0.290 nan 8.270 nan 0.000 0.464 59 K N -0.623 119.709 120.400 -0.114 0.000 2.288 59 K HA 0.005 4.325 4.320 -0.000 0.000 0.201 59 K C 1.487 178.041 176.600 -0.076 0.000 1.048 59 K CA 0.684 56.928 56.287 -0.072 0.000 0.956 59 K CB 0.072 32.548 32.500 -0.041 0.000 0.746 59 K HN 0.291 nan 8.250 nan 0.000 0.461 60 L N 0.842 121.986 121.223 -0.132 0.000 2.395 60 L HA -0.008 4.332 4.340 -0.000 0.000 0.218 60 L C 0.544 177.386 176.870 -0.046 0.000 1.130 60 L CA 0.308 55.096 54.840 -0.085 0.000 0.826 60 L CB -0.090 41.881 42.059 -0.148 0.000 0.941 60 L HN 0.074 nan 8.230 nan 0.000 0.451 61 L N 0.222 121.385 121.223 -0.101 0.000 2.358 61 L HA 0.131 4.471 4.340 -0.000 0.000 0.274 61 L C 1.249 178.111 176.870 -0.013 0.000 1.136 61 L CA -0.539 54.262 54.840 -0.064 0.000 0.970 61 L CB 0.908 42.878 42.059 -0.147 0.000 1.314 61 L HN -0.105 nan 8.230 nan 0.000 0.427 62 V N 0.652 120.574 119.914 0.014 0.000 2.358 62 V HA -0.128 3.992 4.120 -0.000 0.000 0.246 62 V C 1.020 177.128 176.094 0.024 0.000 1.047 62 V CA 1.389 63.695 62.300 0.011 0.000 1.035 62 V CB -0.439 31.387 31.823 0.005 0.000 0.658 62 V HN 0.707 nan 8.190 nan 0.000 0.452 63 Q N 0.162 119.989 119.800 0.045 0.000 2.347 63 Q HA 0.421 4.761 4.340 -0.000 0.000 0.271 63 Q C -0.321 175.727 176.000 0.080 0.000 1.064 63 Q CA -0.136 55.703 55.803 0.060 0.000 0.800 63 Q CB 2.375 31.158 28.738 0.075 0.000 1.304 63 Q HN 0.559 nan 8.270 nan 0.000 0.438 64 T N -2.461 112.136 114.554 0.072 0.000 2.918 64 T HA 0.373 4.723 4.350 -0.000 0.000 0.283 64 T C 1.381 176.133 174.700 0.087 0.000 1.001 64 T CA -0.630 61.524 62.100 0.090 0.000 1.041 64 T CB 0.942 69.851 68.868 0.068 0.000 1.028 64 T HN 0.226 nan 8.240 nan 0.000 0.511 65 V N 1.545 121.515 119.914 0.093 0.000 2.255 65 V HA -0.158 3.961 4.120 -0.000 0.000 0.247 65 V C 2.810 178.937 176.094 0.054 0.000 1.051 65 V CA 2.460 64.803 62.300 0.073 0.000 1.018 65 V CB -1.063 30.794 31.823 0.057 0.000 0.641 65 V HN 1.102 nan 8.190 nan 0.000 0.445 66 E N 0.161 120.387 120.200 0.043 0.000 2.049 66 E HA -0.212 4.138 4.350 -0.000 0.000 0.198 66 E C 1.649 178.261 176.600 0.019 0.000 1.007 66 E CA 1.041 57.458 56.400 0.027 0.000 0.809 66 E CB 0.011 29.724 29.700 0.021 0.000 0.749 66 E HN 0.488 nan 8.360 nan 0.000 0.450 70 K N 2.241 122.645 120.400 0.006 0.000 2.002 70 K HA 0.167 4.487 4.320 -0.000 0.000 0.209 70 K C 2.312 178.864 176.600 -0.081 0.000 1.048 70 K CA 1.791 58.061 56.287 -0.027 0.000 0.930 70 K CB -0.360 32.120 32.500 -0.035 0.000 0.714 70 K HN 0.441 nan 8.250 nan 0.000 0.438 71 R N -1.158 119.245 120.500 -0.162 0.000 2.081 71 R HA -0.096 4.244 4.340 -0.000 0.000 0.235 71 R C 0.848 176.861 176.300 -0.478 0.000 1.131 71 R CA 1.662 57.528 56.100 -0.390 0.000 0.960 71 R CB -0.098 29.839 30.300 -0.605 0.000 0.856 71 R HN 0.195 nan 8.270 nan 0.000 0.436 72 F N 0.415 120.361 119.950 -0.006 0.000 2.639 72 F HA 0.245 4.772 4.527 -0.000 0.000 0.302 72 F C 0.253 176.051 175.800 -0.003 0.000 1.097 72 F CA -0.585 57.410 58.000 -0.008 0.000 1.294 72 F CB -0.073 38.920 39.000 -0.012 0.000 1.027 72 F HN 0.055 nan 8.300 nan 0.000 0.550 73 N N 1.514 120.279 118.700 0.109 0.000 2.705 73 N HA -0.205 4.535 4.740 -0.000 0.000 0.255 73 N C -1.303 174.260 175.510 0.089 0.000 1.008 73 N CA 0.266 53.362 53.050 0.076 0.000 0.742 73 N CB -1.067 37.457 38.487 0.061 0.000 0.906 73 N HN 0.032 nan 8.380 nan 0.000 0.541 74 L N 0.545 121.827 121.223 0.098 0.000 2.325 74 L HA 0.429 4.769 4.340 -0.000 0.000 0.278 74 L C 0.267 177.173 176.870 0.060 0.000 1.023 74 L CA -0.537 54.353 54.840 0.083 0.000 0.811 74 L CB 1.529 43.648 42.059 0.100 0.000 1.249 74 L HN 0.155 nan 8.230 nan 0.000 0.431 75 D N 3.671 124.101 120.400 0.050 0.000 2.456 75 D HA 0.266 4.906 4.640 -0.000 0.000 0.219 75 D C -0.507 175.821 176.300 0.047 0.000 1.126 75 D CA -0.112 53.914 54.000 0.044 0.000 0.890 75 D CB 0.103 40.928 40.800 0.043 0.000 1.025 75 D HN 0.299 nan 8.370 nan 0.000 0.511 76 I N 3.834 124.431 120.570 0.046 0.000 2.321 76 I HA 0.312 4.482 4.170 -0.000 0.000 0.291 76 I C 0.655 176.799 176.117 0.044 0.000 0.998 76 I CA -0.663 60.664 61.300 0.046 0.000 1.227 76 I CB 1.147 39.177 38.000 0.051 0.000 1.368 76 I HN -0.010 nan 8.210 nan 0.000 0.466 77 R N 6.188 126.718 120.500 0.049 0.000 2.396 77 R HA 0.361 4.701 4.340 -0.000 0.000 0.292 77 R C -0.386 175.939 176.300 0.042 0.000 1.240 77 R CA -0.560 55.573 56.100 0.055 0.000 1.270 77 R CB 1.227 31.582 30.300 0.092 0.000 1.108 77 R HN 0.574 nan 8.270 nan 0.000 0.573 78 V N 0.192 120.120 119.914 0.023 0.000 3.264 78 V HA 0.256 4.376 4.120 -0.000 0.000 0.304 78 V C 1.138 177.229 176.094 -0.005 0.000 1.086 78 V CA -0.631 61.671 62.300 0.003 0.000 1.090 78 V CB 0.408 32.214 31.823 -0.028 0.000 1.112 78 V HN 0.849 nan 8.190 nan 0.000 0.472 79 L N -0.048 121.162 121.223 -0.022 0.000 3.839 79 L HA -0.167 4.173 4.340 -0.000 0.000 0.416 79 L C 0.349 177.223 176.870 0.008 0.000 1.195 79 L CA 0.819 55.647 54.840 -0.020 0.000 0.946 79 L CB -1.976 40.062 42.059 -0.035 0.000 1.891 79 L HN 0.925 nan 8.230 nan 0.000 0.963 80 S N -0.138 115.572 115.700 0.016 0.000 2.605 80 S HA 0.454 4.924 4.470 -0.000 0.000 0.308 80 S C -0.232 174.368 174.600 -0.000 0.000 1.113 80 S CA -0.661 57.553 58.200 0.024 0.000 1.049 80 S CB 2.620 65.854 63.200 0.056 0.000 1.001 80 S HN 0.236 nan 8.310 nan 0.000 0.480 81 E N 2.599 122.789 120.200 -0.018 0.000 2.158 81 E HA 0.406 4.756 4.350 -0.000 0.000 0.271 81 E C -1.026 175.542 176.600 -0.054 0.000 0.911 81 E CA -0.630 55.755 56.400 -0.026 0.000 0.767 81 E CB 1.212 30.902 29.700 -0.018 0.000 1.120 81 E HN 0.371 nan 8.360 nan 0.000 0.405 82 V N 5.520 125.404 119.914 -0.049 0.000 2.427 82 V HA 0.014 4.134 4.120 -0.000 0.000 0.268 82 V C 1.182 177.249 176.094 -0.045 0.000 1.046 82 V CA -0.016 62.248 62.300 -0.061 0.000 0.970 82 V CB 0.838 32.631 31.823 -0.050 0.000 1.001 82 V HN 0.673 nan 8.190 nan 0.000 0.476 83 V N 1.735 121.618 119.914 -0.051 0.000 3.621 83 V HA 0.451 4.571 4.120 -0.000 0.000 0.263 83 V C 0.461 176.540 176.094 -0.025 0.000 1.272 83 V CA 0.386 62.666 62.300 -0.034 0.000 1.080 83 V CB -0.194 31.608 31.823 -0.035 0.000 0.816 83 V HN 0.745 nan 8.190 nan 0.000 0.451 84 K N 0.254 120.639 120.400 -0.025 0.000 2.557 84 K HA 0.622 4.941 4.320 -0.000 0.000 0.257 84 K C -1.904 174.699 176.600 0.005 0.000 0.933 84 K CA -0.725 55.557 56.287 -0.009 0.000 0.820 84 K CB 2.584 35.079 32.500 -0.007 0.000 1.330 84 K HN 0.244 nan 8.250 nan 0.000 0.432 85 I N 3.486 124.068 120.570 0.021 0.000 2.339 85 I HA 0.267 4.437 4.170 -0.000 0.000 0.290 85 I C -0.392 175.770 176.117 0.075 0.000 0.994 85 I CA -0.849 60.486 61.300 0.059 0.000 1.191 85 I CB 1.488 39.513 38.000 0.042 0.000 1.343 85 I HN 0.396 nan 8.210 nan 0.000 0.458 86 N N 7.393 126.156 118.700 0.105 0.000 2.801 86 N HA 0.099 4.839 4.740 -0.000 0.000 0.235 86 N C 0.757 176.325 175.510 0.097 0.000 1.069 86 N CA -0.325 52.768 53.050 0.072 0.000 0.946 86 N CB 1.126 39.636 38.487 0.039 0.000 1.212 86 N HN 0.665 nan 8.380 nan 0.000 0.509 87 K N 0.869 121.333 120.400 0.107 0.000 2.217 87 K HA -0.075 4.245 4.320 -0.000 0.000 0.202 87 K C 1.159 177.812 176.600 0.088 0.000 1.051 87 K CA 0.957 57.336 56.287 0.153 0.000 0.952 87 K CB 0.211 32.796 32.500 0.140 0.000 0.736 87 K HN 0.211 nan 8.250 nan 0.000 0.453 88 E N 1.821 122.046 120.200 0.041 0.000 2.170 88 E HA -0.186 4.163 4.350 -0.000 0.000 0.191 88 E C 1.688 178.268 176.600 -0.033 0.000 0.981 88 E CA 1.020 57.429 56.400 0.014 0.000 0.830 88 E CB -0.188 29.519 29.700 0.013 0.000 0.775 88 E HN 0.611 nan 8.360 nan 0.000 0.470 89 E N 1.612 121.787 120.200 -0.043 0.000 2.358 89 E HA -0.083 4.267 4.350 -0.000 0.000 0.195 89 E C -0.217 176.279 176.600 -0.174 0.000 1.010 89 E CA 0.191 56.544 56.400 -0.079 0.000 0.856 89 E CB -0.096 29.576 29.700 -0.046 0.000 0.795 89 E HN 0.042 nan 8.360 nan 0.000 0.504 90 K N 1.071 121.326 120.400 -0.241 0.000 3.257 90 K HA -0.178 4.142 4.320 -0.000 0.000 0.270 90 K C -0.834 175.333 176.600 -0.722 0.000 0.984 90 K CA 0.880 56.755 56.287 -0.686 0.000 0.739 90 K CB -1.939 30.095 32.500 -0.778 0.000 1.351 90 K HN 0.362 nan 8.250 nan 0.000 0.463 91 T N -2.246 112.181 114.554 -0.211 0.000 2.883 91 T HA 0.803 5.153 4.350 -0.000 0.000 0.296 91 T C -0.025 174.802 174.700 0.212 0.000 1.117 91 T CA -1.141 60.965 62.100 0.009 0.000 1.006 91 T CB 2.043 70.906 68.868 -0.009 0.000 1.191 91 T HN 0.304 nan 8.240 nan 0.000 0.508 92 I N -1.252 119.430 120.570 0.186 0.000 2.740 92 I HA 0.741 4.911 4.170 -0.000 0.000 0.303 92 I C -0.757 175.353 176.117 -0.012 0.000 1.044 92 I CA -1.045 60.310 61.300 0.091 0.000 1.064 92 I CB 2.427 40.462 38.000 0.059 0.000 1.249 92 I HN 0.557 nan 8.210 nan 0.000 0.433 93 T N 5.620 120.142 114.554 -0.054 0.000 2.767 93 T HA 0.632 4.982 4.350 -0.000 0.000 0.284 93 T C -0.158 174.422 174.700 -0.201 0.000 0.973 93 T CA -0.194 61.831 62.100 -0.125 0.000 0.996 93 T CB 0.944 69.768 68.868 -0.074 0.000 0.927 93 T HN 0.367 nan 8.240 nan 0.000 0.456 94 I N 2.742 123.069 120.570 -0.404 0.000 2.474 94 I HA 0.434 4.604 4.170 -0.000 0.000 0.294 94 I C 0.079 175.974 176.117 -0.369 0.000 1.005 94 I CA -0.930 60.106 61.300 -0.439 0.000 1.113 94 I CB 2.089 39.666 38.000 -0.704 0.000 1.289 94 I HN 0.343 nan 8.210 nan 0.000 0.436 95 K N 5.635 125.937 120.400 -0.162 0.000 2.316 95 K HA 0.222 4.542 4.320 -0.000 0.000 0.267 95 K C -0.380 176.222 176.600 0.004 0.000 1.025 95 K CA -0.596 55.656 56.287 -0.058 0.000 0.896 95 K CB 0.801 33.281 32.500 -0.033 0.000 1.124 95 K HN 0.517 nan 8.250 nan 0.000 0.451 96 N N 4.355 123.107 118.700 0.086 0.000 2.427 96 N HA -0.029 4.711 4.740 -0.000 0.000 0.269 96 N C 0.745 176.284 175.510 0.048 0.000 1.235 96 N CA 0.132 53.241 53.050 0.100 0.000 0.934 96 N CB 1.039 39.616 38.487 0.149 0.000 1.121 96 N HN 0.397 nan 8.380 nan 0.000 0.480 97 V N 3.476 123.406 119.914 0.027 0.000 2.626 97 V HA -0.174 3.946 4.120 -0.000 0.000 0.252 97 V C 2.032 178.131 176.094 0.009 0.000 1.067 97 V CA 1.610 63.916 62.300 0.011 0.000 1.081 97 V CB -0.580 31.243 31.823 0.001 0.000 0.686 97 V HN 0.666 nan 8.190 nan 0.000 0.468 98 T N 0.420 114.979 114.554 0.009 0.000 2.588 98 T HA -0.176 4.174 4.350 -0.000 0.000 0.261 98 T C 1.878 176.584 174.700 0.011 0.000 1.069 98 T CA 2.273 64.376 62.100 0.004 0.000 1.172 98 T CB -0.486 68.382 68.868 0.000 0.000 0.863 98 T HN 0.690 nan 8.240 nan 0.000 0.408 99 T N -0.663 113.902 114.554 0.019 0.000 3.129 99 T HA 0.119 4.469 4.350 -0.000 0.000 0.251 99 T C 0.918 175.634 174.700 0.026 0.000 1.117 99 T CA 0.258 62.370 62.100 0.020 0.000 1.034 99 T CB -0.286 68.595 68.868 0.021 0.000 0.968 99 T HN 0.348 nan 8.240 nan 0.000 0.526 100 N N 1.622 120.339 118.700 0.029 0.000 2.857 100 N HA -0.154 4.586 4.740 -0.000 0.000 0.242 100 N C -0.039 175.497 175.510 0.044 0.000 0.983 100 N CA 1.504 54.571 53.050 0.029 0.000 0.934 100 N CB -1.078 37.421 38.487 0.020 0.000 1.115 100 N HN 0.966 nan 8.380 nan 0.000 0.593 101 E N 1.106 121.344 120.200 0.064 0.000 2.338 101 E HA 0.286 4.636 4.350 -0.000 0.000 0.272 101 E C 0.237 176.923 176.600 0.145 0.000 1.029 101 E CA -0.041 56.416 56.400 0.095 0.000 0.872 101 E CB 0.916 30.672 29.700 0.094 0.000 1.015 101 E HN 0.261 nan 8.360 nan 0.000 0.417 102 T N 1.195 115.827 114.554 0.129 0.000 2.885 102 T HA 0.601 4.951 4.350 -0.000 0.000 0.285 102 T C -0.744 174.068 174.700 0.187 0.000 1.019 102 T CA -0.705 61.450 62.100 0.091 0.000 1.010 102 T CB 0.815 69.686 68.868 0.006 0.000 1.022 102 T HN 0.624 nan 8.240 nan 0.000 0.466 103 Y N -0.485 119.821 120.300 0.011 0.000 2.638 103 Y HA 0.706 5.256 4.550 -0.000 0.000 0.335 103 Y C -1.244 174.666 175.900 0.018 0.000 1.155 103 Y CA -1.477 56.631 58.100 0.012 0.000 1.046 103 Y CB 0.834 39.301 38.460 0.011 0.000 1.303 103 Y HN 0.544 nan 8.280 nan 0.000 0.460 104 N N 1.421 120.193 118.700 0.121 0.000 2.443 104 N HA 0.339 5.079 4.740 -0.000 0.000 0.295 104 N C -1.445 174.152 175.510 0.145 0.000 1.076 104 N CA -0.618 52.460 53.050 0.047 0.000 0.919 104 N CB 1.924 40.438 38.487 0.044 0.000 1.176 104 N HN 0.733 nan 8.380 nan 0.000 0.487 105 E N 0.648 120.907 120.200 0.098 0.000 2.191 105 E HA 0.574 4.924 4.350 -0.000 0.000 0.263 105 E C -1.089 175.586 176.600 0.126 0.000 0.881 105 E CA -0.752 55.740 56.400 0.154 0.000 0.757 105 E CB 1.208 31.010 29.700 0.170 0.000 1.147 105 E HN 0.613 nan 8.360 nan 0.000 0.414 106 A N 4.070 126.936 122.820 0.077 0.000 2.425 106 A HA 0.494 4.814 4.320 -0.000 0.000 0.249 106 A C -0.936 176.689 177.584 0.067 0.000 1.084 106 A CA -0.114 51.919 52.037 -0.007 0.000 0.781 106 A CB -0.108 18.868 19.000 -0.040 0.000 1.019 106 A HN 0.654 nan 8.150 nan 0.000 0.490 107 Y N -1.156 119.143 120.300 -0.001 0.000 2.576 107 Y HA 0.646 5.196 4.550 -0.000 0.000 0.346 107 Y C -0.202 175.685 175.900 -0.023 0.000 1.018 107 Y CA -1.215 56.886 58.100 0.001 0.000 1.050 107 Y CB 1.376 39.846 38.460 0.016 0.000 1.280 107 Y HN 0.485 nan 8.280 nan 0.000 0.474 108 D N 1.079 121.587 120.400 0.180 0.000 2.323 108 D HA 0.136 4.776 4.640 -0.000 0.000 0.218 108 D C -0.390 176.079 176.300 0.282 0.000 0.973 108 D CA 0.980 55.040 54.000 0.100 0.000 0.890 108 D CB 1.095 41.923 40.800 0.046 0.000 1.011 108 D HN 0.292 nan 8.370 nan 0.000 0.499 109 V N 1.557 121.675 119.914 0.341 0.000 2.638 109 V HA 0.329 4.449 4.120 -0.000 0.000 0.306 109 V C -1.052 175.107 176.094 0.108 0.000 1.052 109 V CA -0.891 61.584 62.300 0.291 0.000 0.885 109 V CB 2.873 34.809 31.823 0.189 0.000 0.999 109 V HN -0.079 nan 8.190 nan 0.000 0.424 110 L N 6.196 127.370 121.223 -0.082 0.000 2.341 110 L HA 0.708 5.048 4.340 -0.000 0.000 0.278 110 L C -0.817 176.008 176.870 -0.075 0.000 1.005 110 L CA 0.053 54.692 54.840 -0.334 0.000 0.818 110 L CB 1.481 43.006 42.059 -0.890 0.000 1.259 110 L HN 0.569 nan 8.230 nan 0.000 0.418 111 I N 6.158 126.685 120.570 -0.072 0.000 2.382 111 I HA 0.345 4.515 4.170 -0.000 0.000 0.286 111 I C -0.816 175.266 176.117 -0.058 0.000 1.002 111 I CA -0.465 60.822 61.300 -0.023 0.000 1.135 111 I CB 1.430 39.400 38.000 -0.051 0.000 1.288 111 I HN 0.397 nan 8.210 nan 0.000 0.448 112 L N 5.401 126.599 121.223 -0.041 0.000 2.257 112 L HA 0.386 4.726 4.340 -0.000 0.000 0.290 112 L C 0.442 177.279 176.870 -0.055 0.000 1.044 112 L CA -0.084 54.725 54.840 -0.050 0.000 0.810 112 L CB 1.403 43.438 42.059 -0.040 0.000 1.193 112 L HN 0.573 nan 8.230 nan 0.000 0.425 113 S N 4.298 119.962 115.700 -0.061 0.000 2.204 113 S HA 0.345 4.815 4.470 -0.000 0.000 0.178 113 S C -1.522 173.049 174.600 -0.049 0.000 1.493 113 S CA -0.894 57.264 58.200 -0.071 0.000 1.266 113 S CB 0.426 63.566 63.200 -0.100 0.000 1.232 113 S HN 0.482 nan 8.310 nan 0.000 0.406 114 P HA 0.281 nan 4.420 nan 0.000 0.245 114 P C 1.034 178.330 177.300 -0.007 0.000 1.206 114 P CA 0.747 63.837 63.100 -0.016 0.000 0.781 114 P CB -0.161 31.531 31.700 -0.013 0.000 0.994 115 G N 0.494 109.285 108.800 -0.015 0.000 2.584 115 G HA2 0.078 4.038 3.960 -0.000 0.000 0.229 115 G HA3 0.078 4.038 3.960 -0.000 0.000 0.229 115 G C -0.694 174.209 174.900 0.005 0.000 1.320 115 G CA -0.334 44.761 45.100 -0.007 0.000 0.891 115 G HN 0.533 nan 8.290 nan 0.000 0.573 116 A N -0.221 122.608 122.820 0.014 0.000 2.386 116 A HA 0.847 5.167 4.320 -0.000 0.000 0.311 116 A C 0.030 177.632 177.584 0.030 0.000 1.068 116 A CA 0.460 52.509 52.037 0.020 0.000 0.743 116 A CB 1.357 20.369 19.000 0.021 0.000 1.258 116 A HN 1.488 nan 8.150 nan 0.000 0.429 117 K N 1.603 122.020 120.400 0.029 0.000 2.156 117 K HA 0.709 5.029 4.320 -0.000 0.000 0.250 117 K C -3.018 173.602 176.600 0.033 0.000 0.955 117 K CA -1.987 54.321 56.287 0.034 0.000 0.855 117 K CB 1.212 33.729 32.500 0.029 0.000 1.101 117 K HN 0.246 nan 8.250 nan 0.000 0.434 118 P HA 0.039 nan 4.420 nan 0.000 0.267 118 P C -0.609 176.708 177.300 0.029 0.000 1.205 118 P CA 0.022 63.144 63.100 0.036 0.000 0.765 118 P CB 0.322 32.047 31.700 0.041 0.000 0.828 119 I N 3.170 123.757 120.570 0.028 0.000 2.517 119 I HA 0.028 4.198 4.170 -0.000 0.000 0.285 119 I C 0.153 176.282 176.117 0.020 0.000 1.106 119 I CA 0.083 61.397 61.300 0.023 0.000 1.402 119 I CB 0.371 38.386 38.000 0.024 0.000 1.399 119 I HN 0.015 nan 8.210 nan 0.000 0.535 120 V N 8.806 128.729 119.914 0.015 0.000 2.347 120 V HA 0.327 4.447 4.120 -0.000 0.000 0.280 120 V C -1.717 174.381 176.094 0.006 0.000 1.021 120 V CA -1.384 60.921 62.300 0.008 0.000 0.847 120 V CB 1.094 32.919 31.823 0.003 0.000 0.990 120 V HN 0.652 nan 8.190 nan 0.000 0.444 121 P HA 0.216 nan 4.420 nan 0.000 0.277 121 P C -0.117 177.183 177.300 0.001 0.000 1.240 121 P CA -0.379 62.725 63.100 0.006 0.000 0.798 121 P CB 1.203 32.909 31.700 0.009 0.000 0.979 122 S N 2.023 117.724 115.700 0.001 0.000 4.183 122 S HA 0.222 4.691 4.470 -0.000 0.000 0.195 122 S C 0.337 174.936 174.600 -0.002 0.000 1.421 122 S CA -0.621 57.578 58.200 -0.001 0.000 0.920 122 S CB -1.809 61.391 63.200 -0.000 0.000 1.525 122 S HN 0.244 nan 8.310 nan 0.000 0.447 123 I N 5.162 125.729 120.570 -0.004 0.000 2.395 123 I HA 0.308 4.477 4.170 -0.000 0.000 0.289 123 I C -1.836 174.276 176.117 -0.008 0.000 1.023 123 I CA -2.492 58.805 61.300 -0.004 0.000 1.350 123 I CB 1.142 39.139 38.000 -0.005 0.000 1.409 123 I HN 0.307 nan 8.210 nan 0.000 0.507 124 P HA 0.108 nan 4.420 nan 0.000 0.271 124 P C 0.630 177.923 177.300 -0.011 0.000 1.226 124 P CA 0.347 63.442 63.100 -0.008 0.000 0.765 124 P CB 1.035 32.732 31.700 -0.005 0.000 0.835 125 G N 3.303 112.094 108.800 -0.015 0.000 2.195 125 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.224 125 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.224 125 G C 0.761 175.644 174.900 -0.028 0.000 0.990 125 G CA 0.135 45.224 45.100 -0.019 0.000 0.639 125 G HN 0.526 nan 8.290 nan 0.000 0.514 126 I N 0.681 121.234 120.570 -0.029 0.000 2.394 126 I HA -0.006 4.164 4.170 -0.000 0.000 0.251 126 I C 2.403 178.490 176.117 -0.050 0.000 1.136 126 I CA 2.235 63.511 61.300 -0.040 0.000 1.425 126 I CB 0.082 38.062 38.000 -0.033 0.000 1.079 126 I HN 0.314 nan 8.210 nan 0.000 0.425 127 E N 0.717 120.894 120.200 -0.038 0.000 2.106 127 E HA -0.228 4.121 4.350 -0.000 0.000 0.192 127 E C 1.686 178.260 176.600 -0.044 0.000 0.984 127 E CA 1.272 57.649 56.400 -0.039 0.000 0.806 127 E CB -0.018 29.666 29.700 -0.026 0.000 0.750 127 E HN 0.525 nan 8.360 nan 0.000 0.458 128 E N 0.167 120.343 120.200 -0.039 0.000 2.489 128 E HA 0.179 4.529 4.350 -0.000 0.000 0.193 128 E C -0.209 176.360 176.600 -0.051 0.000 1.057 128 E CA 0.265 56.642 56.400 -0.037 0.000 0.866 128 E CB 0.559 30.244 29.700 -0.025 0.000 0.916 128 E HN 0.135 nan 8.360 nan 0.000 0.500 129 A N 1.411 124.190 122.820 -0.070 0.000 2.438 129 A HA 0.108 4.428 4.320 -0.000 0.000 0.280 129 A C 0.630 178.125 177.584 -0.147 0.000 1.160 129 A CA -0.153 51.827 52.037 -0.095 0.000 0.821 129 A CB 0.273 19.211 19.000 -0.102 0.000 1.101 129 A HN 0.077 nan 8.150 nan 0.000 0.515 130 K N 2.455 122.775 120.400 -0.132 0.000 2.186 130 K HA 0.112 4.431 4.320 -0.000 0.000 0.202 130 K C 1.033 177.443 176.600 -0.317 0.000 1.052 130 K CA 1.287 57.483 56.287 -0.151 0.000 0.965 130 K CB 0.283 32.758 32.500 -0.043 0.000 0.746 130 K HN 0.667 nan 8.250 nan 0.000 0.457 131 A N 1.631 124.237 122.820 -0.356 0.000 3.106 131 A HA 0.214 4.534 4.320 -0.000 0.000 0.306 131 A C -0.615 176.556 177.584 -0.688 0.000 1.192 131 A CA -0.409 51.245 52.037 -0.638 0.000 0.994 131 A CB 0.108 18.887 19.000 -0.369 0.000 1.107 131 A HN 0.097 nan 8.150 nan 0.000 0.585 132 L N 0.517 121.248 121.223 -0.821 0.000 2.313 132 L HA 0.807 5.146 4.340 -0.000 0.000 0.283 132 L C -1.858 174.565 176.870 -0.745 0.000 1.013 132 L CA -0.405 54.113 54.840 -0.536 0.000 0.816 132 L CB 0.557 42.446 42.059 -0.284 0.000 1.236 132 L HN 0.284 nan 8.230 nan 0.000 0.419 133 F N 2.039 121.933 119.950 -0.093 0.000 2.576 133 F HA 0.647 5.174 4.527 -0.000 0.000 0.313 133 F C 0.613 176.390 175.800 -0.039 0.000 1.078 133 F CA -0.581 57.377 58.000 -0.070 0.000 0.921 133 F CB 2.356 41.306 39.000 -0.083 0.000 1.232 133 F HN 0.543 nan 8.300 nan 0.000 0.459 134 T N -0.176 114.476 114.554 0.162 0.000 2.949 134 T HA 0.801 5.151 4.350 -0.000 0.000 0.287 134 T C -1.491 173.273 174.700 0.107 0.000 1.034 134 T CA -0.844 61.319 62.100 0.103 0.000 1.018 134 T CB 2.051 70.958 68.868 0.065 0.000 1.135 134 T HN 0.510 nan 8.240 nan 0.000 0.532 135 L N 0.728 121.998 121.223 0.078 0.000 2.446 135 L HA 0.621 4.961 4.340 -0.000 0.000 0.268 135 L C 0.480 177.399 176.870 0.081 0.000 0.975 135 L CA -0.315 54.568 54.840 0.071 0.000 0.848 135 L CB 1.559 43.646 42.059 0.047 0.000 1.225 135 L HN 0.906 nan 8.230 nan 0.000 0.410 136 R N 2.189 122.747 120.500 0.096 0.000 2.562 136 R HA 0.302 4.642 4.340 -0.000 0.000 0.191 136 R C -0.315 176.101 176.300 0.194 0.000 0.835 136 R CA 0.371 56.548 56.100 0.127 0.000 1.036 136 R CB 0.575 30.940 30.300 0.109 0.000 1.437 136 R HN 0.775 nan 8.270 nan 0.000 0.654 137 N N -1.560 117.212 118.700 0.119 0.000 2.966 137 N HA 0.143 4.883 4.740 -0.000 0.000 0.314 137 N C 0.765 176.196 175.510 -0.132 0.000 1.397 137 N CA -0.594 52.459 53.050 0.006 0.000 0.776 137 N CB 0.553 39.022 38.487 -0.030 0.000 1.576 137 N HN -0.212 nan 8.380 nan 0.000 0.592 138 V N -0.326 119.351 119.914 -0.396 0.000 2.255 138 V HA -0.102 4.018 4.120 -0.000 0.000 0.247 138 V C -0.973 175.079 176.094 -0.069 0.000 1.051 138 V CA 2.007 64.152 62.300 -0.258 0.000 1.018 138 V CB -1.746 29.846 31.823 -0.385 0.000 0.641 138 V HN 0.632 nan 8.190 nan 0.000 0.445 139 P HA -0.136 nan 4.420 nan 0.000 0.216 139 P C 1.174 178.499 177.300 0.041 0.000 1.150 139 P CA 1.567 64.680 63.100 0.022 0.000 0.843 139 P CB -0.096 31.616 31.700 0.020 0.000 0.787 140 D N -1.282 119.142 120.400 0.040 0.000 2.117 140 D HA -0.109 4.531 4.640 -0.000 0.000 0.197 140 D C 1.809 178.135 176.300 0.044 0.000 0.987 140 D CA 1.480 55.521 54.000 0.069 0.000 0.829 140 D CB -0.888 39.956 40.800 0.073 0.000 0.961 140 D HN 0.182 nan 8.370 nan 0.000 0.460 141 T N 1.297 115.873 114.554 0.037 0.000 2.737 141 T HA -0.124 4.226 4.350 -0.000 0.000 0.265 141 T C 1.368 176.102 174.700 0.057 0.000 1.038 141 T CA 1.161 63.291 62.100 0.050 0.000 1.144 141 T CB -0.248 68.688 68.868 0.113 0.000 0.866 141 T HN 0.055 nan 8.240 nan 0.000 0.434 142 D N 0.742 121.191 120.400 0.081 0.000 2.149 142 D HA -0.072 4.568 4.640 -0.000 0.000 0.198 142 D C 2.234 178.563 176.300 0.048 0.000 0.990 142 D CA 0.898 54.952 54.000 0.090 0.000 0.839 142 D CB -0.275 40.576 40.800 0.086 0.000 0.948 142 D HN 0.296 nan 8.370 nan 0.000 0.460 143 R N 0.397 120.928 120.500 0.050 0.000 2.073 143 R HA -0.067 4.273 4.340 -0.000 0.000 0.234 143 R C 2.470 178.738 176.300 -0.054 0.000 1.134 143 R CA 0.921 57.070 56.100 0.082 0.000 0.952 143 R CB -0.218 30.188 30.300 0.177 0.000 0.850 143 R HN 0.153 nan 8.270 nan 0.000 0.433 144 I N 0.563 120.960 120.570 -0.289 0.000 2.226 144 I HA -0.271 3.899 4.170 -0.000 0.000 0.245 144 I C 2.552 178.484 176.117 -0.308 0.000 1.100 144 I CA 1.308 62.201 61.300 -0.679 0.000 1.374 144 I CB -0.314 37.329 38.000 -0.595 0.000 1.057 144 I HN 0.216 nan 8.210 nan 0.000 0.413 145 K N 1.053 121.349 120.400 -0.173 0.000 2.057 145 K HA -0.112 4.208 4.320 -0.000 0.000 0.206 145 K C 2.283 178.839 176.600 -0.073 0.000 1.050 145 K CA 1.271 57.472 56.287 -0.142 0.000 0.935 145 K CB -0.090 32.301 32.500 -0.181 0.000 0.715 145 K HN 0.283 nan 8.250 nan 0.000 0.439 146 A N 0.345 123.154 122.820 -0.019 0.000 1.940 146 A HA -0.222 4.098 4.320 -0.000 0.000 0.219 146 A C 2.008 179.612 177.584 0.034 0.000 1.176 146 A CA 1.410 53.457 52.037 0.018 0.000 0.631 146 A CB -0.782 18.252 19.000 0.056 0.000 0.814 146 A HN 0.526 nan 8.150 nan 0.000 0.446 147 Y N 0.414 120.678 120.300 -0.060 0.000 2.163 147 Y HA -0.166 4.384 4.550 -0.000 0.000 0.288 147 Y C 2.011 177.891 175.900 -0.034 0.000 1.136 147 Y CA 1.816 59.910 58.100 -0.009 0.000 1.147 147 Y CB -0.235 38.243 38.460 0.031 0.000 0.987 147 Y HN 0.268 nan 8.280 nan 0.000 0.509 148 I N 0.214 120.796 120.570 0.021 0.000 2.163 148 I HA -0.344 3.826 4.170 -0.000 0.000 0.243 148 I C 1.855 177.910 176.117 -0.103 0.000 1.085 148 I CA 1.727 63.001 61.300 -0.043 0.000 1.347 148 I CB -0.443 37.531 38.000 -0.044 0.000 1.044 148 I HN 0.250 nan 8.210 nan 0.000 0.408 149 D N 0.603 120.949 120.400 -0.089 0.000 2.123 149 D HA -0.139 4.501 4.640 -0.000 0.000 0.200 149 D C 2.129 178.375 176.300 -0.091 0.000 0.976 149 D CA 1.257 55.210 54.000 -0.078 0.000 0.831 149 D CB -0.178 40.588 40.800 -0.058 0.000 0.974 149 D HN 0.453 nan 8.370 nan 0.000 0.469 150 E N 0.043 120.175 120.200 -0.112 0.000 2.122 150 E HA -0.014 4.336 4.350 -0.000 0.000 0.190 150 E C 1.634 178.130 176.600 -0.173 0.000 0.977 150 E CA 0.615 56.947 56.400 -0.113 0.000 0.820 150 E CB 0.293 29.947 29.700 -0.077 0.000 0.770 150 E HN 0.013 nan 8.360 nan 0.000 0.462 151 K N 0.212 120.421 120.400 -0.319 0.000 2.354 151 K HA 0.116 4.435 4.320 -0.000 0.000 0.194 151 K C -0.075 176.371 176.600 -0.257 0.000 1.045 151 K CA 0.161 56.221 56.287 -0.378 0.000 1.026 151 K CB 0.664 32.702 32.500 -0.770 0.000 0.866 151 K HN -0.105 nan 8.250 nan 0.000 0.530 152 K N 1.204 121.481 120.400 -0.205 0.000 3.244 152 K HA -0.103 4.217 4.320 -0.000 0.000 0.270 152 K C -2.468 174.103 176.600 -0.048 0.000 1.016 152 K CA 0.269 56.497 56.287 -0.099 0.000 0.754 152 K CB -2.277 30.183 32.500 -0.067 0.000 1.326 152 K HN 0.289 nan 8.250 nan 0.000 0.465 153 P HA 0.044 nan 4.420 nan 0.000 0.267 153 P C 0.600 177.938 177.300 0.064 0.000 1.200 153 P CA -0.026 63.123 63.100 0.081 0.000 0.772 153 P CB 0.640 32.457 31.700 0.194 0.000 0.855 154 R N 0.267 120.818 120.500 0.085 0.000 2.254 154 R HA 0.136 4.476 4.340 -0.000 0.000 0.193 154 R C 0.809 177.184 176.300 0.125 0.000 0.929 154 R CA 0.675 56.824 56.100 0.082 0.000 1.038 154 R CB -0.424 29.920 30.300 0.074 0.000 1.009 154 R HN 0.662 nan 8.270 nan 0.000 0.512 155 H N -0.421 118.678 119.070 0.047 0.000 2.771 155 H HA 0.663 5.219 4.556 -0.000 0.000 0.361 155 H C -1.611 173.751 175.328 0.058 0.000 1.108 155 H CA -0.644 55.430 56.048 0.043 0.000 1.201 155 H CB 2.270 32.051 29.762 0.032 0.000 1.681 155 H HN 0.049 nan 8.280 nan 0.000 0.534 156 A N 3.284 125.853 122.820 -0.419 0.000 2.401 156 A HA 0.580 4.900 4.320 -0.000 0.000 0.310 156 A C -0.742 176.692 177.584 -0.251 0.000 1.075 156 A CA -0.655 51.276 52.037 -0.176 0.000 0.746 156 A CB 1.546 20.488 19.000 -0.096 0.000 1.277 156 A HN 0.623 nan 8.150 nan 0.000 0.425 157 T N 1.279 115.826 114.554 -0.011 0.000 2.797 157 T HA 0.554 4.904 4.350 -0.000 0.000 0.279 157 T C -0.693 174.013 174.700 0.010 0.000 0.991 157 T CA -0.313 61.802 62.100 0.026 0.000 0.979 157 T CB 1.307 70.238 68.868 0.104 0.000 0.943 157 T HN 0.481 nan 8.240 nan 0.000 0.444 158 V N 4.608 124.520 119.914 -0.003 0.000 2.409 158 V HA 0.478 4.598 4.120 -0.000 0.000 0.291 158 V C -0.241 175.859 176.094 0.010 0.000 1.020 158 V CA -0.793 61.508 62.300 0.002 0.000 0.848 158 V CB 1.361 33.178 31.823 -0.010 0.000 0.990 158 V HN 0.796 nan 8.190 nan 0.000 0.430 159 I N 4.414 124.996 120.570 0.019 0.000 2.321 159 I HA 0.731 4.901 4.170 -0.000 0.000 0.291 159 I C 0.656 176.793 176.117 0.033 0.000 0.998 159 I CA -0.016 61.298 61.300 0.023 0.000 1.227 159 I CB 1.435 39.449 38.000 0.022 0.000 1.368 159 I HN 0.867 nan 8.210 nan 0.000 0.466 160 G N 3.650 112.476 108.800 0.042 0.000 3.444 160 G HA2 -0.015 3.945 3.960 -0.000 0.000 0.685 160 G HA3 -0.015 3.945 3.960 -0.000 0.000 0.685 160 G C 0.092 175.036 174.900 0.073 0.000 1.145 160 G CA -0.485 44.651 45.100 0.062 0.000 0.973 160 G HN 0.998 nan 8.290 nan 0.000 0.525 161 G N 0.884 109.747 108.800 0.105 0.000 3.518 161 G HA2 0.626 4.586 3.960 -0.000 0.000 0.273 161 G HA3 0.626 4.586 3.960 -0.000 0.000 0.273 161 G C 1.072 176.065 174.900 0.154 0.000 1.199 161 G CA 0.960 46.138 45.100 0.129 0.000 0.899 161 G HN 1.326 nan 8.290 nan 0.000 0.533 162 G N -0.466 108.425 108.800 0.151 0.000 2.583 162 G HA2 0.282 4.242 3.960 -0.000 0.000 0.275 162 G HA3 0.282 4.242 3.960 -0.000 0.000 0.275 162 G C 0.705 175.761 174.900 0.258 0.000 1.342 162 G CA -0.677 44.551 45.100 0.214 0.000 1.030 162 G HN 0.162 nan 8.290 nan 0.000 0.520 163 F N -1.002 118.967 119.950 0.032 0.000 2.171 163 F HA -0.068 4.459 4.527 -0.000 0.000 0.300 163 F C 2.417 178.215 175.800 -0.004 0.000 1.090 163 F CA 0.509 58.520 58.000 0.017 0.000 1.293 163 F CB 0.139 39.151 39.000 0.020 0.000 1.013 163 F HN 0.214 nan 8.300 nan 0.000 0.486 164 I N 0.033 120.709 120.570 0.176 0.000 2.406 164 I HA -0.108 4.061 4.170 -0.000 0.000 0.249 164 I C 2.419 178.547 176.117 0.019 0.000 1.122 164 I CA 1.491 62.835 61.300 0.073 0.000 1.431 164 I CB -1.187 36.856 38.000 0.072 0.000 1.087 164 I HN 0.135 nan 8.210 nan 0.000 0.424 165 G N 0.850 109.674 108.800 0.041 0.000 2.446 165 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.217 165 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.217 165 G C 1.722 176.610 174.900 -0.021 0.000 1.168 165 G CA 1.210 46.321 45.100 0.017 0.000 0.771 165 G HN 0.340 nan 8.290 nan 0.000 0.551 166 V N 0.792 120.690 119.914 -0.026 0.000 2.287 166 V HA -0.100 4.020 4.120 -0.000 0.000 0.248 166 V C 1.728 177.720 176.094 -0.169 0.000 1.053 166 V CA 1.499 63.746 62.300 -0.087 0.000 1.027 166 V CB -0.534 31.217 31.823 -0.120 0.000 0.646 166 V HN 0.455 nan 8.190 nan 0.000 0.447 170 E N 1.301 121.322 120.200 -0.299 0.000 2.058 170 E HA -0.241 4.109 4.350 -0.000 0.000 0.194 170 E C 1.687 178.151 176.600 -0.227 0.000 0.997 170 E CA 1.976 58.055 56.400 -0.535 0.000 0.801 170 E CB -0.042 29.162 29.700 -0.826 0.000 0.746 170 E HN 0.663 nan 8.360 nan 0.000 0.450 171 N N 0.269 118.846 118.700 -0.205 0.000 2.331 171 N HA -0.099 4.641 4.740 -0.000 0.000 0.180 171 N C 2.001 177.465 175.510 -0.077 0.000 1.019 171 N CA 0.684 53.654 53.050 -0.133 0.000 0.881 171 N CB 0.022 38.391 38.487 -0.197 0.000 0.972 171 N HN 0.268 nan 8.380 nan 0.000 0.435 172 L N 0.825 122.006 121.223 -0.070 0.000 2.044 172 L HA -0.041 4.299 4.340 -0.000 0.000 0.205 172 L C 2.425 179.295 176.870 0.002 0.000 1.075 172 L CA 0.724 55.538 54.840 -0.042 0.000 0.747 172 L CB -0.247 41.782 42.059 -0.051 0.000 0.903 172 L HN -0.013 nan 8.230 nan 0.000 0.435 173 R N 0.324 120.855 120.500 0.052 0.000 2.103 173 R HA -0.238 4.102 4.340 -0.000 0.000 0.242 173 R C 2.068 178.429 176.300 0.102 0.000 1.142 173 R CA 1.478 57.648 56.100 0.118 0.000 0.960 173 R CB -0.670 29.802 30.300 0.286 0.000 0.858 173 R HN 0.337 nan 8.270 nan 0.000 0.439 174 E N 0.685 120.936 120.200 0.086 0.000 2.097 174 E HA -0.175 4.175 4.350 -0.000 0.000 0.196 174 E C 1.611 178.232 176.600 0.035 0.000 1.000 174 E CA 1.357 57.796 56.400 0.066 0.000 0.804 174 E CB 0.053 29.775 29.700 0.038 0.000 0.740 174 E HN 0.049 nan 8.360 nan 0.000 0.454 175 R N -1.144 119.362 120.500 0.011 0.000 2.313 175 R HA 0.145 4.485 4.340 -0.000 0.000 0.199 175 R C 1.022 177.325 176.300 0.004 0.000 0.958 175 R CA 0.783 56.879 56.100 -0.005 0.000 1.047 175 R CB 0.127 30.409 30.300 -0.030 0.000 0.955 175 R HN 0.333 nan 8.270 nan 0.000 0.481 176 G N 1.363 110.174 108.800 0.020 0.000 2.130 176 G HA2 -0.234 3.725 3.960 -0.000 0.000 0.216 176 G HA3 -0.234 3.725 3.960 -0.000 0.000 0.216 176 G C 0.037 174.947 174.900 0.017 0.000 0.999 176 G CA -0.247 44.866 45.100 0.021 0.000 0.686 176 G HN 0.255 nan 8.290 nan 0.000 0.515 177 I N 1.063 121.640 120.570 0.011 0.000 2.359 177 I HA 0.346 4.516 4.170 -0.000 0.000 0.294 177 I C 0.246 176.353 176.117 -0.017 0.000 0.987 177 I CA -1.016 60.283 61.300 -0.002 0.000 1.225 177 I CB 1.193 39.184 38.000 -0.016 0.000 1.366 177 I HN -0.044 nan 8.210 nan 0.000 0.466 178 E N 5.465 125.654 120.200 -0.018 0.000 2.360 178 E HA 0.295 4.645 4.350 -0.000 0.000 0.269 178 E C -0.741 175.705 176.600 -0.255 0.000 1.022 178 E CA -0.142 56.238 56.400 -0.033 0.000 0.887 178 E CB 1.629 31.394 29.700 0.108 0.000 0.990 178 E HN 0.212 nan 8.360 nan 0.000 0.426 179 V N 2.640 122.436 119.914 -0.196 0.000 2.656 179 V HA 0.341 4.461 4.120 -0.000 0.000 0.307 179 V C -0.087 175.920 176.094 -0.145 0.000 1.051 179 V CA -0.777 61.367 62.300 -0.260 0.000 0.893 179 V CB 2.299 34.066 31.823 -0.093 0.000 0.999 179 V HN 0.599 nan 8.190 nan 0.000 0.426 180 T N 5.527 119.995 114.554 -0.143 0.000 2.792 180 T HA 0.608 4.957 4.350 -0.000 0.000 0.280 180 T C -0.760 173.924 174.700 -0.026 0.000 0.990 180 T CA -0.284 61.822 62.100 0.010 0.000 0.960 180 T CB 1.406 70.379 68.868 0.174 0.000 0.939 180 T HN 0.451 nan 8.240 nan 0.000 0.439 181 L N 4.973 126.163 121.223 -0.055 0.000 2.296 181 L HA 0.699 5.039 4.340 -0.000 0.000 0.286 181 L C -1.028 175.776 176.870 -0.110 0.000 1.023 181 L CA -0.497 54.304 54.840 -0.065 0.000 0.812 181 L CB 1.143 43.166 42.059 -0.059 0.000 1.223 181 L HN 0.431 nan 8.230 nan 0.000 0.421 182 V N 4.971 124.850 119.914 -0.058 0.000 2.357 182 V HA 0.574 4.694 4.120 -0.000 0.000 0.284 182 V C -0.075 176.013 176.094 -0.011 0.000 1.018 182 V CA -0.491 61.776 62.300 -0.054 0.000 0.841 182 V CB 1.107 32.920 31.823 -0.016 0.000 0.991 182 V HN 0.868 nan 8.190 nan 0.000 0.437 186 N N 0.128 118.864 118.700 0.059 0.000 2.295 186 N HA 0.251 4.991 4.740 -0.000 0.000 0.221 186 N C -0.073 175.220 175.510 -0.361 0.000 1.129 186 N CA 0.667 53.679 53.050 -0.063 0.000 0.836 186 N CB 0.153 38.639 38.487 -0.002 0.000 1.040 186 N HN 0.868 nan 8.380 nan 0.000 0.494 187 Q N -1.785 117.869 119.800 -0.244 0.000 2.527 187 Q HA 0.415 4.755 4.340 -0.000 0.000 0.280 187 Q C -0.921 175.234 176.000 0.258 0.000 0.977 187 Q CA -1.188 54.556 55.803 -0.099 0.000 0.837 187 Q CB 1.257 30.072 28.738 0.129 0.000 1.454 187 Q HN -0.064 nan 8.270 nan 0.000 0.387 191 P HA -0.035 nan 4.420 nan 0.000 0.218 191 P C 0.719 178.077 177.300 0.095 0.000 1.148 191 P CA 0.911 64.044 63.100 0.056 0.000 0.822 191 P CB -0.004 31.672 31.700 -0.039 0.000 0.784 192 I N -3.565 117.098 120.570 0.155 0.000 2.612 192 I HA 0.342 4.512 4.170 -0.000 0.000 0.295 192 I C 0.018 176.201 176.117 0.110 0.000 1.011 192 I CA -0.759 60.616 61.300 0.125 0.000 1.326 192 I CB 0.769 38.845 38.000 0.126 0.000 1.427 192 I HN -0.314 nan 8.210 nan 0.000 0.537 193 D N 2.624 123.091 120.400 0.112 0.000 2.377 193 D HA 0.020 4.660 4.640 -0.000 0.000 0.245 193 D C 0.422 176.818 176.300 0.159 0.000 1.196 193 D CA -0.008 54.086 54.000 0.157 0.000 0.962 193 D CB 0.790 41.705 40.800 0.192 0.000 1.127 193 D HN 0.733 nan 8.370 nan 0.000 0.471 194 Y N 0.926 121.277 120.300 0.085 0.000 2.128 194 Y HA -0.215 4.335 4.550 -0.000 0.000 0.284 194 Y C 1.450 177.289 175.900 -0.101 0.000 1.154 194 Y CA 1.469 59.578 58.100 0.015 0.000 1.149 194 Y CB 0.003 38.519 38.460 0.093 0.000 0.976 194 Y HN 0.391 nan 8.280 nan 0.000 0.505 198 A N -0.326 122.046 122.820 -0.746 0.000 1.948 198 A HA -0.058 4.262 4.320 -0.000 0.000 0.220 198 A C 1.878 179.211 177.584 -0.419 0.000 1.177 198 A CA 2.091 53.738 52.037 -0.651 0.000 0.636 198 A CB -0.867 17.702 19.000 -0.718 0.000 0.815 198 A HN 0.746 nan 8.150 nan 0.000 0.449 199 Y N -0.579 119.567 120.300 -0.256 0.000 2.220 199 Y HA -0.124 4.426 4.550 -0.000 0.000 0.291 199 Y C 2.593 178.493 175.900 0.000 0.000 1.129 199 Y CA 1.287 59.336 58.100 -0.084 0.000 1.161 199 Y CB -0.425 37.995 38.460 -0.067 0.000 0.997 199 Y HN 0.096 nan 8.280 nan 0.000 0.522 200 V N -0.030 119.913 119.914 0.049 0.000 2.287 200 V HA -0.361 3.759 4.120 -0.000 0.000 0.248 200 V C 1.930 178.138 176.094 0.189 0.000 1.053 200 V CA 2.370 64.709 62.300 0.065 0.000 1.027 200 V CB -0.894 30.912 31.823 -0.028 0.000 0.646 200 V HN 0.545 nan 8.190 nan 0.000 0.447 201 H N -0.018 119.117 119.070 0.109 0.000 2.319 201 H HA -0.193 4.363 4.556 -0.000 0.000 0.297 201 H C 2.463 177.857 175.328 0.109 0.000 1.097 201 H CA 1.628 57.757 56.048 0.135 0.000 1.285 201 H CB -0.032 29.799 29.762 0.115 0.000 1.368 201 H HN 0.508 nan 8.280 nan 0.000 0.495 202 E N 0.397 120.707 120.200 0.184 0.000 2.086 202 E HA -0.160 4.190 4.350 -0.000 0.000 0.200 202 E C 0.768 177.418 176.600 0.083 0.000 1.012 202 E CA 0.838 57.288 56.400 0.084 0.000 0.812 202 E CB -0.074 29.637 29.700 0.019 0.000 0.743 202 E HN 0.535 nan 8.360 nan 0.000 0.453 206 N N 1.107 119.758 118.700 -0.081 0.000 2.396 206 N HA -0.058 4.682 4.740 -0.000 0.000 0.180 206 N C 0.683 175.977 175.510 -0.360 0.000 1.028 206 N CA 1.204 54.134 53.050 -0.200 0.000 0.893 206 N CB -0.034 38.306 38.487 -0.246 0.000 0.967 206 N HN 0.297 nan 8.380 nan 0.000 0.440 207 H N -0.218 118.636 119.070 -0.359 0.000 2.538 207 H HA 0.097 4.653 4.556 -0.000 0.000 0.286 207 H C -0.270 174.867 175.328 -0.318 0.000 1.035 207 H CA -0.084 55.659 56.048 -0.509 0.000 1.169 207 H CB 0.048 29.027 29.762 -1.304 0.000 1.417 207 H HN 0.004 nan 8.280 nan 0.000 0.567 208 D N -0.469 119.858 120.400 -0.122 0.000 2.907 208 D HA -0.163 4.477 4.640 -0.000 0.000 0.226 208 D C -0.959 175.331 176.300 -0.017 0.000 1.141 208 D CA 0.279 54.244 54.000 -0.059 0.000 0.779 208 D CB -1.167 39.604 40.800 -0.048 0.000 1.095 208 D HN 0.124 nan 8.370 nan 0.000 0.430 209 V N 1.053 120.964 119.914 -0.006 0.000 2.432 209 V HA 0.226 4.345 4.120 -0.000 0.000 0.275 209 V C 0.808 176.901 176.094 -0.001 0.000 1.043 209 V CA -0.413 61.903 62.300 0.028 0.000 0.925 209 V CB 1.652 33.532 31.823 0.094 0.000 0.985 209 V HN 0.189 nan 8.190 nan 0.000 0.466 210 E N 5.031 125.227 120.200 -0.007 0.000 2.223 210 E HA 0.337 4.687 4.350 -0.000 0.000 0.282 210 E C -1.179 175.354 176.600 -0.111 0.000 1.046 210 E CA -0.443 55.935 56.400 -0.037 0.000 0.857 210 E CB 0.679 30.379 29.700 -0.000 0.000 1.055 210 E HN 0.574 nan 8.360 nan 0.000 0.409 211 L N 4.865 125.967 121.223 -0.202 0.000 2.272 211 L HA 0.375 4.715 4.340 -0.000 0.000 0.289 211 L C -0.693 175.844 176.870 -0.555 0.000 1.032 211 L CA -0.961 53.600 54.840 -0.466 0.000 0.810 211 L CB 1.615 43.298 42.059 -0.626 0.000 1.205 211 L HN 0.330 nan 8.230 nan 0.000 0.422 212 V N 4.056 123.635 119.914 -0.559 0.000 2.326 212 V HA 0.397 4.517 4.120 -0.000 0.000 0.281 212 V C -0.286 175.565 176.094 -0.406 0.000 1.015 212 V CA -0.365 61.719 62.300 -0.359 0.000 0.823 212 V CB 0.979 32.706 31.823 -0.159 0.000 1.009 212 V HN 0.370 nan 8.190 nan 0.000 0.436 213 F N 1.531 121.467 119.950 -0.023 0.000 2.440 213 F HA 0.481 5.008 4.527 -0.000 0.000 0.328 213 F C 1.177 176.984 175.800 0.011 0.000 1.070 213 F CA -1.376 56.618 58.000 -0.010 0.000 1.011 213 F CB 0.848 39.838 39.000 -0.016 0.000 1.226 213 F HN 0.592 nan 8.300 nan 0.000 0.491 214 E N 0.143 120.496 120.200 0.255 0.000 2.360 214 E HA -0.250 4.100 4.350 -0.000 0.000 0.238 214 E C -1.189 175.466 176.600 0.091 0.000 1.186 214 E CA 0.576 57.060 56.400 0.141 0.000 0.719 214 E CB -0.988 28.782 29.700 0.117 0.000 1.236 214 E HN 0.379 nan 8.360 nan 0.000 0.386 215 D N -1.176 119.272 120.400 0.080 0.000 2.819 215 D HA 0.589 5.228 4.640 -0.000 0.000 0.232 215 D C -0.080 176.244 176.300 0.040 0.000 1.160 215 D CA -0.066 53.962 54.000 0.045 0.000 0.858 215 D CB 1.861 42.676 40.800 0.024 0.000 1.610 215 D HN 0.117 nan 8.370 nan 0.000 0.481 216 G N 0.074 108.892 108.800 0.030 0.000 2.658 216 G HA2 0.495 4.454 3.960 -0.000 0.000 0.292 216 G HA3 0.495 4.454 3.960 -0.000 0.000 0.292 216 G C -0.910 174.001 174.900 0.018 0.000 1.320 216 G CA -0.449 44.667 45.100 0.027 0.000 0.933 216 G HN 0.309 nan 8.290 nan 0.000 0.476 217 V N 1.501 121.424 119.914 0.015 0.000 2.439 217 V HA 0.096 4.216 4.120 -0.000 0.000 0.271 217 V C 0.905 177.004 176.094 0.008 0.000 1.040 217 V CA 0.118 62.424 62.300 0.010 0.000 1.002 217 V CB 1.295 33.123 31.823 0.009 0.000 1.000 217 V HN 0.908 nan 8.190 nan 0.000 0.477 218 D N 3.406 123.810 120.400 0.006 0.000 2.216 218 D HA 0.171 4.811 4.640 -0.000 0.000 0.208 218 D C 0.502 176.803 176.300 0.002 0.000 0.960 218 D CA 1.160 55.163 54.000 0.005 0.000 0.861 218 D CB 0.958 41.760 40.800 0.005 0.000 0.985 218 D HN 0.671 nan 8.370 nan 0.000 0.493 219 A N -0.113 122.707 122.820 0.000 0.000 2.606 219 A HA 0.587 4.907 4.320 -0.000 0.000 0.293 219 A C -1.566 176.015 177.584 -0.005 0.000 1.082 219 A CA -0.592 51.444 52.037 -0.003 0.000 0.685 219 A CB 1.089 20.087 19.000 -0.003 0.000 1.284 219 A HN 0.093 nan 8.150 nan 0.000 0.408 220 L N 2.278 123.496 121.223 -0.008 0.000 2.301 220 L HA 0.375 4.715 4.340 -0.000 0.000 0.278 220 L C -0.183 176.680 176.870 -0.011 0.000 1.022 220 L CA -0.193 54.641 54.840 -0.011 0.000 0.854 220 L CB 0.952 42.999 42.059 -0.019 0.000 1.226 220 L HN 0.799 nan 8.230 nan 0.000 0.429 221 E N 3.186 123.382 120.200 -0.008 0.000 2.250 221 E HA 0.306 4.656 4.350 -0.000 0.000 0.265 221 E C -0.323 176.274 176.600 -0.005 0.000 1.033 221 E CA -0.787 55.609 56.400 -0.007 0.000 0.888 221 E CB 1.049 30.746 29.700 -0.005 0.000 1.151 221 E HN 0.319 nan 8.360 nan 0.000 0.412 222 E N 1.722 121.920 120.200 -0.004 0.000 2.513 222 E HA -0.247 4.103 4.350 -0.000 0.000 0.257 222 E C -0.655 175.945 176.600 0.000 0.000 1.098 222 E CA 0.443 56.842 56.400 -0.001 0.000 0.752 222 E CB -1.959 27.742 29.700 0.001 0.000 1.324 222 E HN 0.777 nan 8.360 nan 0.000 0.403 223 N N -1.608 117.088 118.700 -0.006 0.000 2.747 223 N HA -0.257 4.482 4.740 -0.000 0.000 0.249 223 N C 0.844 176.343 175.510 -0.017 0.000 1.107 223 N CA 2.022 55.066 53.050 -0.011 0.000 0.707 223 N CB -1.475 37.011 38.487 -0.002 0.000 1.054 223 N HN 0.889 nan 8.380 nan 0.000 0.555 224 G N -1.659 107.131 108.800 -0.017 0.000 2.175 224 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.244 224 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.244 224 G C 0.870 175.771 174.900 0.002 0.000 0.982 224 G CA 0.880 45.967 45.100 -0.021 0.000 0.641 224 G HN 0.984 nan 8.290 nan 0.000 0.527 225 A N -0.913 121.914 122.820 0.012 0.000 2.132 225 A HA 0.662 4.982 4.320 -0.000 0.000 0.213 225 A C 0.947 178.539 177.584 0.014 0.000 1.154 225 A CA 1.439 53.491 52.037 0.025 0.000 0.753 225 A CB 0.476 19.492 19.000 0.027 0.000 0.826 225 A HN 1.065 nan 8.150 nan 0.000 0.469 226 V N 0.861 120.777 119.914 0.004 0.000 2.483 226 V HA 0.345 4.465 4.120 -0.000 0.000 0.297 226 V C -0.917 175.176 176.094 -0.001 0.000 1.027 226 V CA -0.557 61.741 62.300 -0.003 0.000 0.855 226 V CB 1.795 33.614 31.823 -0.007 0.000 0.995 226 V HN 0.028 nan 8.190 nan 0.000 0.424 227 V N 5.989 125.903 119.914 -0.000 0.000 2.347 227 V HA 0.485 4.605 4.120 -0.000 0.000 0.280 227 V C 0.223 176.316 176.094 -0.002 0.000 1.021 227 V CA -0.612 61.690 62.300 0.003 0.000 0.847 227 V CB 1.429 33.261 31.823 0.014 0.000 0.990 227 V HN 0.828 nan 8.190 nan 0.000 0.444 228 R N 5.122 125.621 120.500 -0.002 0.000 2.265 228 R HA 0.634 4.974 4.340 -0.000 0.000 0.319 228 R C -0.902 175.398 176.300 0.000 0.000 1.006 228 R CA -0.540 55.559 56.100 -0.003 0.000 0.880 228 R CB 0.813 31.111 30.300 -0.003 0.000 1.077 228 R HN 0.681 nan 8.270 nan 0.000 0.454 229 L N 4.237 125.460 121.223 0.000 0.000 2.416 229 L HA 0.301 4.641 4.340 -0.000 0.000 0.262 229 L C 1.392 178.265 176.870 0.006 0.000 1.093 229 L CA -0.592 54.250 54.840 0.004 0.000 0.801 229 L CB 1.205 43.265 42.059 0.002 0.000 1.191 229 L HN 0.702 nan 8.230 nan 0.000 0.459 230 K N 0.405 120.811 120.400 0.010 0.000 2.057 230 K HA -0.158 4.162 4.320 -0.000 0.000 0.207 230 K C 2.142 178.748 176.600 0.011 0.000 1.049 230 K CA 1.680 57.974 56.287 0.011 0.000 0.931 230 K CB -0.094 32.415 32.500 0.015 0.000 0.714 230 K HN 0.790 nan 8.250 nan 0.000 0.440 231 S N -0.745 114.963 115.700 0.012 0.000 2.387 231 S HA -0.145 4.325 4.470 -0.000 0.000 0.230 231 S C 1.674 176.278 174.600 0.007 0.000 1.035 231 S CA 1.376 59.583 58.200 0.011 0.000 1.014 231 S CB -0.333 62.874 63.200 0.013 0.000 0.836 231 S HN 0.507 nan 8.310 nan 0.000 0.466 232 G N -0.198 108.604 108.800 0.005 0.000 2.296 232 G HA2 -0.136 3.824 3.960 -0.000 0.000 0.188 232 G HA3 -0.136 3.824 3.960 -0.000 0.000 0.188 232 G C 0.135 175.034 174.900 -0.002 0.000 1.000 232 G CA -0.050 45.050 45.100 0.002 0.000 0.672 232 G HN 0.682 nan 8.290 nan 0.000 0.483 233 S N -0.253 115.446 115.700 -0.002 0.000 2.584 233 S HA 0.578 5.047 4.470 -0.000 0.000 0.270 233 S C 0.255 174.849 174.600 -0.010 0.000 1.346 233 S CA -0.025 58.171 58.200 -0.007 0.000 1.018 233 S CB 2.325 65.520 63.200 -0.008 0.000 0.899 233 S HN 0.704 nan 8.310 nan 0.000 0.542 234 V N 2.124 122.029 119.914 -0.016 0.000 2.769 234 V HA 0.518 4.638 4.120 -0.000 0.000 0.312 234 V C -0.559 175.516 176.094 -0.032 0.000 1.061 234 V CA -0.659 61.629 62.300 -0.020 0.000 0.931 234 V CB 1.676 33.487 31.823 -0.020 0.000 1.010 234 V HN 0.734 nan 8.190 nan 0.000 0.433 235 I N 3.699 124.249 120.570 -0.033 0.000 2.439 235 I HA 0.407 4.577 4.170 -0.000 0.000 0.285 235 I C -0.369 175.707 176.117 -0.067 0.000 1.021 235 I CA -0.465 60.800 61.300 -0.057 0.000 1.091 235 I CB 1.852 39.843 38.000 -0.015 0.000 1.242 235 I HN 0.559 nan 8.210 nan 0.000 0.439 236 Q N 4.046 123.774 119.800 -0.120 0.000 2.279 236 Q HA 0.463 4.803 4.340 -0.000 0.000 0.256 236 Q C -0.256 175.663 176.000 -0.136 0.000 0.937 236 Q CA 0.127 55.872 55.803 -0.097 0.000 0.933 236 Q CB 1.920 30.604 28.738 -0.089 0.000 1.189 236 Q HN 0.598 nan 8.270 nan 0.000 0.417 237 T N 1.407 115.962 114.554 0.001 0.000 2.841 237 T HA 0.325 4.675 4.350 -0.000 0.000 0.296 237 T C -1.339 173.446 174.700 0.142 0.000 1.166 237 T CA -0.753 61.434 62.100 0.144 0.000 1.007 237 T CB 1.355 70.378 68.868 0.257 0.000 1.253 237 T HN 0.457 nan 8.240 nan 0.000 0.511 241 I N 3.671 124.287 120.570 0.078 0.000 2.362 241 I HA 0.424 4.594 4.170 -0.000 0.000 0.289 241 I C -0.219 175.928 176.117 0.051 0.000 0.994 241 I CA -0.445 60.907 61.300 0.086 0.000 1.158 241 I CB 1.787 39.817 38.000 0.051 0.000 1.315 241 I HN 0.466 nan 8.210 nan 0.000 0.451 242 L N 5.540 126.794 121.223 0.052 0.000 2.276 242 L HA 0.585 4.925 4.340 -0.000 0.000 0.286 242 L C 0.326 177.220 176.870 0.041 0.000 1.061 242 L CA -0.275 54.587 54.840 0.036 0.000 0.807 242 L CB 1.510 43.585 42.059 0.025 0.000 1.177 242 L HN 0.806 nan 8.230 nan 0.000 0.429 243 A N 5.320 128.163 122.820 0.039 0.000 3.453 243 A HA 0.333 4.653 4.320 -0.000 0.000 0.262 243 A C 0.172 177.786 177.584 0.050 0.000 1.026 243 A CA -0.409 51.654 52.037 0.044 0.000 0.938 243 A CB -0.156 18.869 19.000 0.041 0.000 1.246 243 A HN 0.780 nan 8.150 nan 0.000 0.546 244 I N -2.571 118.026 120.570 0.045 0.000 3.884 244 I HA 0.628 4.798 4.170 -0.000 0.000 0.330 244 I C 0.621 176.766 176.117 0.046 0.000 1.451 244 I CA 0.227 61.555 61.300 0.047 0.000 1.165 244 I CB 0.122 38.146 38.000 0.039 0.000 1.097 244 I HN 0.654 nan 8.210 nan 0.000 0.404 245 G N 1.046 109.875 108.800 0.047 0.000 2.462 245 G HA2 0.160 4.120 3.960 -0.000 0.000 0.685 245 G HA3 0.160 4.120 3.960 -0.000 0.000 0.685 245 G C -0.882 174.040 174.900 0.037 0.000 1.295 245 G CA -0.458 44.668 45.100 0.043 0.000 0.941 245 G HN 0.872 nan 8.290 nan 0.000 0.554 246 V N -2.837 117.097 119.914 0.033 0.000 3.102 246 V HA 0.982 5.102 4.120 -0.000 0.000 0.312 246 V C -0.330 175.779 176.094 0.025 0.000 1.135 246 V CA -0.086 62.232 62.300 0.030 0.000 1.022 246 V CB 1.697 33.539 31.823 0.030 0.000 1.056 246 V HN 1.643 nan 8.190 nan 0.000 0.436 247 Q N 0.846 120.660 119.800 0.023 0.000 2.372 247 Q HA 0.692 5.032 4.340 -0.000 0.000 0.273 247 Q C -3.094 172.917 176.000 0.018 0.000 1.078 247 Q CA -2.189 53.626 55.803 0.020 0.000 0.806 247 Q CB 2.139 30.887 28.738 0.018 0.000 1.332 247 Q HN 0.514 nan 8.270 nan 0.000 0.435 248 P HA -0.065 nan 4.420 nan 0.000 0.266 248 P C -0.602 176.705 177.300 0.012 0.000 1.195 248 P CA 0.149 63.258 63.100 0.014 0.000 0.768 248 P CB 0.459 32.167 31.700 0.014 0.000 0.838 249 E N 1.534 121.740 120.200 0.010 0.000 1.972 249 E HA 0.052 4.402 4.350 -0.000 0.000 0.292 249 E C 0.183 176.785 176.600 0.003 0.000 1.193 249 E CA 0.303 56.708 56.400 0.008 0.000 1.228 249 E CB -0.315 29.390 29.700 0.009 0.000 1.167 249 E HN 0.386 nan 8.360 nan 0.000 0.479 250 S N -0.969 114.734 115.700 0.004 0.000 2.663 250 S HA -0.022 4.448 4.470 -0.000 0.000 0.243 250 S C 1.662 176.262 174.600 0.000 0.000 1.009 250 S CA 0.023 58.223 58.200 0.001 0.000 0.988 250 S CB 0.288 63.490 63.200 0.004 0.000 0.896 250 S HN 0.260 nan 8.310 nan 0.000 0.502 251 S N 2.548 118.248 115.700 0.001 0.000 2.387 251 S HA -0.124 4.346 4.470 -0.000 0.000 0.230 251 S C 1.724 176.323 174.600 -0.002 0.000 1.035 251 S CA 1.011 59.211 58.200 0.000 0.000 1.014 251 S CB -0.923 62.277 63.200 0.001 0.000 0.836 251 S HN 0.561 nan 8.310 nan 0.000 0.466 252 L N 1.211 122.431 121.223 -0.005 0.000 2.046 252 L HA -0.062 4.277 4.340 -0.000 0.000 0.208 252 L C 3.255 180.121 176.870 -0.006 0.000 1.077 252 L CA 1.270 56.106 54.840 -0.008 0.000 0.747 252 L CB -0.926 41.124 42.059 -0.015 0.000 0.896 252 L HN 0.517 nan 8.230 nan 0.000 0.432 253 A N -0.096 122.720 122.820 -0.006 0.000 1.873 253 A HA -0.246 4.073 4.320 -0.000 0.000 0.215 253 A C 2.373 179.956 177.584 -0.001 0.000 1.186 253 A CA 1.845 53.879 52.037 -0.005 0.000 0.616 253 A CB -0.426 18.571 19.000 -0.005 0.000 0.823 253 A HN 0.274 nan 8.150 nan 0.000 0.442 254 K N -0.835 119.564 120.400 -0.000 0.000 2.009 254 K HA -0.146 4.174 4.320 -0.000 0.000 0.210 254 K C 2.059 178.660 176.600 0.002 0.000 1.049 254 K CA 1.477 57.765 56.287 0.001 0.000 0.929 254 K CB -0.563 31.938 32.500 0.002 0.000 0.714 254 K HN 0.422 nan 8.250 nan 0.000 0.440 255 G N -0.000 108.801 108.800 0.002 0.000 2.450 255 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.220 255 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.220 255 G C 1.381 176.285 174.900 0.006 0.000 1.130 255 G CA 0.930 46.032 45.100 0.003 0.000 0.760 255 G HN 0.435 nan 8.290 nan 0.000 0.557 256 A N -0.365 122.460 122.820 0.008 0.000 2.208 256 A HA 0.467 4.786 4.320 -0.000 0.000 0.209 256 A C 1.957 179.548 177.584 0.012 0.000 1.161 256 A CA 1.266 53.312 52.037 0.015 0.000 0.782 256 A CB -0.416 18.596 19.000 0.019 0.000 0.816 256 A HN 1.615 nan 8.150 nan 0.000 0.477 257 G N -0.813 107.991 108.800 0.006 0.000 2.160 257 G HA2 -0.200 3.759 3.960 -0.000 0.000 0.244 257 G HA3 -0.200 3.759 3.960 -0.000 0.000 0.244 257 G C -0.012 174.888 174.900 0.000 0.000 1.022 257 G CA 0.274 45.376 45.100 0.004 0.000 0.741 257 G HN 0.430 nan 8.290 nan 0.000 0.508 258 L N 0.284 121.506 121.223 -0.002 0.000 2.395 258 L HA 0.626 4.966 4.340 -0.000 0.000 0.269 258 L C 1.319 178.185 176.870 -0.008 0.000 1.133 258 L CA -0.343 54.492 54.840 -0.008 0.000 0.812 258 L CB 1.113 43.165 42.059 -0.011 0.000 1.125 258 L HN 0.371 nan 8.230 nan 0.000 0.452 259 A N 4.165 126.978 122.820 -0.012 0.000 2.498 259 A HA 0.427 4.747 4.320 -0.000 0.000 0.239 259 A C -0.294 177.288 177.584 -0.004 0.000 1.068 259 A CA -0.098 51.934 52.037 -0.009 0.000 0.766 259 A CB 0.007 19.000 19.000 -0.012 0.000 1.003 259 A HN 0.609 nan 8.150 nan 0.000 0.497 260 L N 2.286 123.509 121.223 -0.001 0.000 2.331 260 L HA 0.638 4.977 4.340 -0.000 0.000 0.275 260 L C 1.025 177.898 176.870 0.006 0.000 1.022 260 L CA -0.551 54.291 54.840 0.004 0.000 0.812 260 L CB 1.892 43.953 42.059 0.004 0.000 1.257 260 L HN 0.874 nan 8.230 nan 0.000 0.435 261 G N 0.530 109.336 108.800 0.011 0.000 2.857 261 G HA2 0.508 4.468 3.960 -0.000 0.000 0.217 261 G HA3 0.508 4.468 3.960 -0.000 0.000 0.217 261 G C -0.197 174.711 174.900 0.014 0.000 1.357 261 G CA -0.510 44.598 45.100 0.013 0.000 1.033 261 G HN 0.501 nan 8.290 nan 0.000 0.571 262 V N -2.074 117.850 119.914 0.016 0.000 2.694 262 V HA 0.269 4.389 4.120 -0.000 0.000 0.306 262 V C 0.951 177.055 176.094 0.017 0.000 1.054 262 V CA 0.482 62.792 62.300 0.016 0.000 1.161 262 V CB 0.014 31.847 31.823 0.017 0.000 0.916 262 V HN 0.894 nan 8.190 nan 0.000 0.490 263 R N 2.816 123.324 120.500 0.014 0.000 3.770 263 R HA -0.163 4.176 4.340 -0.000 0.000 0.305 263 R C 1.280 177.588 176.300 0.014 0.000 1.184 263 R CA 0.841 56.950 56.100 0.015 0.000 0.823 263 R CB -1.943 28.367 30.300 0.017 0.000 1.285 263 R HN 2.260 nan 8.270 nan 0.000 0.499 264 G N -0.715 108.093 108.800 0.013 0.000 2.148 264 G HA2 -0.390 3.570 3.960 -0.000 0.000 0.254 264 G HA3 -0.390 3.570 3.960 -0.000 0.000 0.254 264 G C 0.322 175.229 174.900 0.013 0.000 0.981 264 G CA 0.665 45.772 45.100 0.011 0.000 0.670 264 G HN 0.747 nan 8.290 nan 0.000 0.528 265 T N -0.853 113.711 114.554 0.017 0.000 2.856 265 T HA 0.558 4.907 4.350 -0.000 0.000 0.306 265 T C 0.914 175.625 174.700 0.018 0.000 1.062 265 T CA -0.320 61.792 62.100 0.020 0.000 1.083 265 T CB 1.382 70.267 68.868 0.028 0.000 0.984 265 T HN 0.517 nan 8.240 nan 0.000 0.542 266 I N 1.638 122.219 120.570 0.019 0.000 2.556 266 I HA 0.184 4.354 4.170 -0.000 0.000 0.284 266 I C 0.980 177.111 176.117 0.025 0.000 1.114 266 I CA -0.301 61.009 61.300 0.017 0.000 1.418 266 I CB 0.559 38.568 38.000 0.015 0.000 1.394 266 I HN 0.605 nan 8.210 nan 0.000 0.552 267 K N 6.740 127.149 120.400 0.015 0.000 2.234 267 K HA 0.530 4.850 4.320 -0.000 0.000 0.282 267 K C -0.874 175.734 176.600 0.013 0.000 1.039 267 K CA -0.445 55.851 56.287 0.015 0.000 0.928 267 K CB 1.135 33.637 32.500 0.004 0.000 1.039 267 K HN 0.538 nan 8.250 nan 0.000 0.470 268 V N 1.219 121.147 119.914 0.023 0.000 3.007 268 V HA 0.476 4.595 4.120 -0.000 0.000 0.311 268 V C -0.539 175.545 176.094 -0.017 0.000 1.120 268 V CA -1.199 61.112 62.300 0.020 0.000 0.980 268 V CB 1.641 33.521 31.823 0.096 0.000 1.033 268 V HN 0.956 nan 8.190 nan 0.000 0.429 269 N N 1.574 120.248 118.700 -0.043 0.000 2.443 269 N HA 0.243 4.983 4.740 -0.000 0.000 0.294 269 N C 0.583 176.012 175.510 -0.135 0.000 1.289 269 N CA 0.199 53.209 53.050 -0.066 0.000 0.966 269 N CB -0.068 38.386 38.487 -0.056 0.000 1.122 269 N HN 0.714 nan 8.380 nan 0.000 0.569 270 E N -0.898 119.228 120.200 -0.123 0.000 2.333 270 E HA -0.072 4.278 4.350 -0.000 0.000 0.198 270 E C 0.345 176.769 176.600 -0.293 0.000 1.007 270 E CA 1.290 57.589 56.400 -0.169 0.000 0.845 270 E CB -0.206 29.444 29.700 -0.082 0.000 0.766 270 E HN 0.582 nan 8.360 nan 0.000 0.507 271 K N -0.650 119.625 120.400 -0.207 0.000 2.455 271 K HA 0.219 4.539 4.320 -0.000 0.000 0.206 271 K C -0.615 176.036 176.600 0.085 0.000 1.027 271 K CA -0.235 55.996 56.287 -0.094 0.000 1.113 271 K CB 0.182 32.734 32.500 0.087 0.000 0.850 271 K HN 0.011 nan 8.250 nan 0.000 0.503 272 F N -0.022 120.000 119.950 0.119 0.000 2.914 272 F HA -0.314 4.213 4.527 -0.000 0.000 0.304 272 F C 0.065 175.946 175.800 0.134 0.000 0.712 272 F CA 0.282 58.355 58.000 0.120 0.000 1.211 272 F CB -1.816 37.254 39.000 0.116 0.000 1.515 272 F HN 0.203 nan 8.300 nan 0.000 0.350 273 Q N 1.102 120.972 119.800 0.116 0.000 2.304 273 Q HA 0.346 4.686 4.340 -0.000 0.000 0.260 273 Q C 1.022 176.944 176.000 -0.130 0.000 0.965 273 Q CA 0.394 56.079 55.803 -0.197 0.000 0.898 273 Q CB 1.374 29.971 28.738 -0.234 0.000 1.196 273 Q HN 0.375 nan 8.270 nan 0.000 0.402 274 T N -1.707 112.745 114.554 -0.168 0.000 2.889 274 T HA 0.056 4.406 4.350 -0.000 0.000 0.340 274 T C 1.363 175.998 174.700 -0.108 0.000 1.145 274 T CA 0.001 62.044 62.100 -0.095 0.000 0.986 274 T CB 0.366 69.188 68.868 -0.078 0.000 1.461 274 T HN 0.605 nan 8.240 nan 0.000 0.541 275 S N -1.423 114.233 115.700 -0.075 0.000 2.522 275 S HA 0.061 4.531 4.470 -0.000 0.000 0.227 275 S C 0.247 174.796 174.600 -0.085 0.000 0.986 275 S CA 0.186 58.344 58.200 -0.070 0.000 0.929 275 S CB -0.664 62.511 63.200 -0.043 0.000 0.769 275 S HN 0.831 nan 8.310 nan 0.000 0.529 276 D N 2.396 122.738 120.400 -0.097 0.000 2.232 276 D HA 0.338 4.978 4.640 -0.000 0.000 0.242 276 D C -1.434 174.732 176.300 -0.225 0.000 1.093 276 D CA -2.432 51.501 54.000 -0.111 0.000 0.845 276 D CB 1.612 42.398 40.800 -0.023 0.000 1.124 276 D HN -0.088 nan 8.370 nan 0.000 0.467 277 P HA -0.179 nan 4.420 nan 0.000 0.219 277 P C 0.388 177.399 177.300 -0.481 0.000 1.146 277 P CA 1.211 64.037 63.100 -0.457 0.000 0.808 277 P CB 0.172 31.540 31.700 -0.553 0.000 0.779 278 H N -1.279 117.754 119.070 -0.062 0.000 2.551 278 H HA 0.305 4.861 4.556 -0.000 0.000 0.271 278 H C 1.030 176.368 175.328 0.016 0.000 0.984 278 H CA 0.011 56.092 56.048 0.054 0.000 1.164 278 H CB 0.450 30.332 29.762 0.199 0.000 1.437 278 H HN 0.223 nan 8.280 nan 0.000 0.550 279 I N 1.338 121.853 120.570 -0.092 0.000 2.406 279 I HA 0.203 4.373 4.170 -0.000 0.000 0.290 279 I C -0.812 175.152 176.117 -0.256 0.000 0.999 279 I CA -0.751 60.489 61.300 -0.099 0.000 1.124 279 I CB 1.287 39.246 38.000 -0.069 0.000 1.289 279 I HN -0.131 nan 8.210 nan 0.000 0.441 280 Y N 4.089 124.380 120.300 -0.016 0.000 2.528 280 Y HA 0.803 5.353 4.550 -0.000 0.000 0.335 280 Y C 0.246 176.136 175.900 -0.017 0.000 1.093 280 Y CA -0.830 57.278 58.100 0.013 0.000 1.134 280 Y CB 2.045 40.520 38.460 0.025 0.000 1.253 280 Y HN 0.578 nan 8.280 nan 0.000 0.478 281 A N 2.397 125.321 122.820 0.174 0.000 2.520 281 A HA 0.879 5.198 4.320 -0.000 0.000 0.298 281 A C -1.230 176.368 177.584 0.023 0.000 1.051 281 A CA -0.571 51.504 52.037 0.063 0.000 0.690 281 A CB 1.059 20.084 19.000 0.041 0.000 1.281 281 A HN 0.760 nan 8.150 nan 0.000 0.402 282 I N -1.478 119.034 120.570 -0.096 0.000 3.354 282 I HA 0.971 5.141 4.170 -0.000 0.000 0.316 282 I C 0.422 176.449 176.117 -0.151 0.000 1.182 282 I CA -0.500 60.665 61.300 -0.225 0.000 0.942 282 I CB 1.817 39.531 38.000 -0.477 0.000 1.299 282 I HN 2.056 nan 8.210 nan 0.000 0.473 283 G N 1.736 110.434 108.800 -0.169 0.000 2.587 283 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.212 283 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.212 283 G C -0.256 174.616 174.900 -0.046 0.000 1.327 283 G CA 0.366 45.399 45.100 -0.111 0.000 0.898 283 G HN 0.816 nan 8.290 nan 0.000 0.551 284 D N 0.275 120.657 120.400 -0.030 0.000 2.265 284 D HA 0.102 4.742 4.640 -0.000 0.000 0.208 284 D C 2.584 178.888 176.300 0.007 0.000 0.977 284 D CA 2.030 56.029 54.000 -0.002 0.000 0.871 284 D CB -0.419 40.381 40.800 -0.000 0.000 0.925 284 D HN 0.945 nan 8.370 nan 0.000 0.485 285 A N 0.362 123.181 122.820 -0.002 0.000 2.167 285 A HA 0.104 4.424 4.320 -0.000 0.000 0.214 285 A C 1.243 178.837 177.584 0.018 0.000 1.151 285 A CA 0.016 52.056 52.037 0.006 0.000 0.735 285 A CB -0.570 18.428 19.000 -0.003 0.000 0.802 285 A HN 0.390 nan 8.150 nan 0.000 0.467 286 I N -3.492 117.095 120.570 0.027 0.000 2.793 286 I HA 0.492 4.662 4.170 -0.000 0.000 0.313 286 I C -0.018 176.138 176.117 0.065 0.000 0.998 286 I CA -0.897 60.434 61.300 0.051 0.000 1.140 286 I CB 1.217 39.267 38.000 0.083 0.000 1.327 286 I HN 0.091 nan 8.210 nan 0.000 0.491 287 E N 3.958 124.199 120.200 0.069 0.000 2.194 287 E HA 0.427 4.777 4.350 -0.000 0.000 0.284 287 E C -0.989 175.673 176.600 0.104 0.000 1.035 287 E CA -0.715 55.728 56.400 0.071 0.000 0.836 287 E CB 1.329 31.059 29.700 0.050 0.000 1.070 287 E HN 0.624 nan 8.360 nan 0.000 0.401 288 V N 1.368 121.358 119.914 0.127 0.000 2.919 288 V HA 0.553 4.673 4.120 -0.000 0.000 0.316 288 V C -0.493 175.685 176.094 0.140 0.000 1.077 288 V CA -1.135 61.279 62.300 0.189 0.000 0.977 288 V CB 1.724 33.724 31.823 0.294 0.000 1.039 288 V HN 0.552 nan 8.190 nan 0.000 0.441 289 K N 2.502 122.983 120.400 0.136 0.000 2.174 289 K HA 0.286 4.606 4.320 -0.000 0.000 0.275 289 K C -0.454 176.200 176.600 0.091 0.000 1.015 289 K CA -0.407 55.928 56.287 0.080 0.000 0.933 289 K CB 0.837 33.361 32.500 0.041 0.000 1.025 289 K HN 1.022 nan 8.250 nan 0.000 0.463 290 D N 2.607 123.048 120.400 0.069 0.000 2.350 290 D HA -0.070 4.570 4.640 -0.000 0.000 0.249 290 D C 0.697 177.049 176.300 0.086 0.000 1.119 290 D CA -0.252 53.801 54.000 0.088 0.000 0.886 290 D CB 0.718 41.558 40.800 0.068 0.000 1.195 290 D HN 0.476 nan 8.370 nan 0.000 0.437 291 F N 2.777 122.717 119.950 -0.017 0.000 2.126 291 F HA -0.231 4.296 4.527 -0.000 0.000 0.299 291 F C 1.809 177.606 175.800 -0.005 0.000 1.096 291 F CA 1.362 59.342 58.000 -0.034 0.000 1.255 291 F CB 0.036 39.002 39.000 -0.057 0.000 0.997 291 F HN 0.232 nan 8.300 nan 0.000 0.479 292 V N -0.249 119.741 119.914 0.126 0.000 2.323 292 V HA -0.241 3.879 4.120 -0.000 0.000 0.244 292 V C 2.278 178.382 176.094 0.017 0.000 1.041 292 V CA 2.358 64.716 62.300 0.097 0.000 1.025 292 V CB -1.030 30.916 31.823 0.203 0.000 0.656 292 V HN 0.612 nan 8.190 nan 0.000 0.451 293 T N -4.030 110.531 114.554 0.011 0.000 2.985 293 T HA 0.184 4.534 4.350 -0.000 0.000 0.254 293 T C 0.594 175.273 174.700 -0.034 0.000 1.021 293 T CA 0.432 62.528 62.100 -0.006 0.000 0.957 293 T CB 0.129 68.993 68.868 -0.007 0.000 1.047 293 T HN 0.529 nan 8.240 nan 0.000 0.511 294 E N 0.959 121.132 120.200 -0.044 0.000 2.513 294 E HA -0.130 4.220 4.350 -0.000 0.000 0.257 294 E C -0.860 175.730 176.600 -0.017 0.000 1.098 294 E CA 0.430 56.804 56.400 -0.043 0.000 0.752 294 E CB -2.278 27.379 29.700 -0.073 0.000 1.324 294 E HN 0.489 nan 8.360 nan 0.000 0.403 295 T N 1.176 115.728 114.554 -0.003 0.000 2.806 295 T HA 0.257 4.606 4.350 -0.000 0.000 0.290 295 T C 0.112 174.823 174.700 0.017 0.000 0.966 295 T CA -0.626 61.475 62.100 0.003 0.000 1.060 295 T CB 0.937 69.805 68.868 -0.000 0.000 0.927 295 T HN 0.060 nan 8.240 nan 0.000 0.485 296 E N 1.963 122.173 120.200 0.017 0.000 2.415 296 E HA 0.409 4.759 4.350 -0.000 0.000 0.263 296 E C 0.383 177.002 176.600 0.032 0.000 0.995 296 E CA 0.180 56.597 56.400 0.029 0.000 0.915 296 E CB 0.650 30.363 29.700 0.021 0.000 0.951 296 E HN 0.535 nan 8.360 nan 0.000 0.449 300 P HA 0.445 nan 4.420 nan 0.000 0.247 300 P C -0.929 176.385 177.300 0.022 0.000 1.756 300 P CA 0.065 63.178 63.100 0.023 0.000 1.117 300 P CB 0.287 31.997 31.700 0.016 0.000 1.869 301 L N 0.982 122.231 121.223 0.044 0.000 2.350 301 L HA 0.635 4.974 4.340 -0.000 0.000 0.260 301 L C 1.411 178.324 176.870 0.071 0.000 1.015 301 L CA -1.027 53.848 54.840 0.060 0.000 0.821 301 L CB 1.784 43.893 42.059 0.083 0.000 1.370 301 L HN -0.021 nan 8.230 nan 0.000 0.416 302 A N 0.577 123.442 122.820 0.076 0.000 1.970 302 A HA -0.122 4.198 4.320 -0.000 0.000 0.216 302 A C 1.726 179.345 177.584 0.058 0.000 1.170 302 A CA 0.743 52.803 52.037 0.038 0.000 0.645 302 A CB -0.507 18.506 19.000 0.022 0.000 0.816 302 A HN 0.957 nan 8.150 nan 0.000 0.447 303 W N 1.365 122.657 121.300 -0.013 0.000 2.354 303 W HA -0.092 4.568 4.660 -0.000 0.000 0.315 303 W C -1.103 175.424 176.519 0.014 0.000 1.206 303 W CA 2.516 59.859 57.345 -0.003 0.000 1.290 303 W CB -0.974 28.488 29.460 0.004 0.000 1.152 303 W HN 0.243 nan 8.180 nan 0.000 0.489 304 P HA -0.248 nan 4.420 nan 0.000 0.215 304 P C 1.559 178.798 177.300 -0.101 0.000 1.157 304 P CA 3.222 66.462 63.100 0.233 0.000 0.874 304 P CB -0.567 31.338 31.700 0.342 0.000 0.790 305 A N -0.339 122.423 122.820 -0.096 0.000 1.865 305 A HA -0.274 4.046 4.320 -0.000 0.000 0.217 305 A C 2.256 179.674 177.584 -0.276 0.000 1.191 305 A CA 2.012 53.940 52.037 -0.182 0.000 0.623 305 A CB -1.608 17.316 19.000 -0.127 0.000 0.826 305 A HN 0.159 nan 8.150 nan 0.000 0.444 306 N N -0.785 117.738 118.700 -0.295 0.000 2.069 306 N HA -0.211 4.529 4.740 -0.000 0.000 0.191 306 N C 2.029 177.274 175.510 -0.441 0.000 1.031 306 N CA 1.763 54.603 53.050 -0.350 0.000 0.852 306 N CB -0.261 38.017 38.487 -0.349 0.000 1.018 306 N HN 0.462 nan 8.380 nan 0.000 0.423 307 R N 1.724 121.845 120.500 -0.631 0.000 2.083 307 R HA -0.094 4.246 4.340 -0.000 0.000 0.237 307 R C 2.146 178.227 176.300 -0.365 0.000 1.137 307 R CA 1.631 57.380 56.100 -0.585 0.000 0.951 307 R CB -0.555 29.213 30.300 -0.886 0.000 0.851 307 R HN 0.323 nan 8.270 nan 0.000 0.434 308 Q N -1.027 118.507 119.800 -0.443 0.000 2.061 308 Q HA -0.062 4.278 4.340 -0.000 0.000 0.204 308 Q C 2.100 177.709 176.000 -0.652 0.000 0.984 308 Q CA 1.650 57.047 55.803 -0.678 0.000 0.846 308 Q CB -0.441 27.787 28.738 -0.851 0.000 0.902 308 Q HN 0.601 nan 8.270 nan 0.000 0.421 309 G N 1.035 109.547 108.800 -0.481 0.000 2.446 309 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.217 309 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.217 309 G C 0.950 175.670 174.900 -0.300 0.000 1.168 309 G CA 0.527 45.400 45.100 -0.379 0.000 0.771 309 G HN 0.133 nan 8.290 nan 0.000 0.551 313 A N 0.221 122.972 122.820 -0.114 0.000 1.917 313 A HA -0.193 4.127 4.320 -0.000 0.000 0.219 313 A C 1.756 179.366 177.584 0.044 0.000 1.182 313 A CA 2.263 54.264 52.037 -0.062 0.000 0.633 313 A CB -0.778 18.159 19.000 -0.105 0.000 0.819 313 A HN 0.641 nan 8.150 nan 0.000 0.448 314 D N -0.140 120.292 120.400 0.055 0.000 2.097 314 D HA -0.098 4.542 4.640 -0.000 0.000 0.197 314 D C 1.952 178.366 176.300 0.191 0.000 0.984 314 D CA 1.264 55.373 54.000 0.182 0.000 0.826 314 D CB -0.329 40.552 40.800 0.134 0.000 0.973 314 D HN 0.525 nan 8.370 nan 0.000 0.460 315 I N 1.207 121.844 120.570 0.111 0.000 2.163 315 I HA -0.264 3.906 4.170 -0.000 0.000 0.243 315 I C 2.515 178.633 176.117 0.000 0.000 1.085 315 I CA 0.850 62.196 61.300 0.076 0.000 1.347 315 I CB -0.198 37.867 38.000 0.109 0.000 1.044 315 I HN -0.046 nan 8.210 nan 0.000 0.408 316 I N -0.085 120.443 120.570 -0.070 0.000 2.335 316 I HA -0.311 3.859 4.170 -0.000 0.000 0.251 316 I C 1.583 177.631 176.117 -0.115 0.000 1.129 316 I CA 1.509 62.727 61.300 -0.137 0.000 1.402 316 I CB -0.464 37.435 38.000 -0.167 0.000 1.069 316 I HN 0.291 nan 8.210 nan 0.000 0.424 317 H N 0.140 119.163 119.070 -0.079 0.000 2.538 317 H HA 0.218 4.774 4.556 -0.000 0.000 0.286 317 H C 1.434 176.562 175.328 -0.334 0.000 1.035 317 H CA 0.516 56.482 56.048 -0.137 0.000 1.169 317 H CB 0.004 29.742 29.762 -0.040 0.000 1.417 317 H HN 0.350 nan 8.280 nan 0.000 0.567 318 G N 0.364 109.076 108.800 -0.147 0.000 2.184 318 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.264 318 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.264 318 G C 0.039 174.844 174.900 -0.158 0.000 0.975 318 G CA 0.055 45.061 45.100 -0.158 0.000 0.642 318 G HN 0.531 nan 8.290 nan 0.000 0.536 319 H N 1.639 120.750 119.070 0.068 0.000 3.216 319 H HA 0.317 4.873 4.556 -0.000 0.000 0.263 319 H C 1.587 176.948 175.328 0.054 0.000 1.601 319 H CA 1.053 57.133 56.048 0.054 0.000 1.509 319 H CB -0.215 29.575 29.762 0.047 0.000 1.759 319 H HN 0.435 nan 8.280 nan 0.000 0.533 320 T N -2.264 112.362 114.554 0.120 0.000 3.134 320 T HA 0.009 4.359 4.350 -0.000 0.000 0.260 320 T C 1.022 175.773 174.700 0.084 0.000 1.027 320 T CA -0.440 61.717 62.100 0.094 0.000 0.913 320 T CB 0.346 69.252 68.868 0.064 0.000 1.046 320 T HN 0.130 nan 8.240 nan 0.000 0.553 321 D N 2.369 122.824 120.400 0.092 0.000 2.087 321 D HA -0.063 4.577 4.640 -0.000 0.000 0.192 321 D C 0.985 177.328 176.300 0.071 0.000 0.993 321 D CA 1.188 55.231 54.000 0.073 0.000 0.828 321 D CB -0.278 40.564 40.800 0.071 0.000 0.968 321 D HN 0.477 nan 8.370 nan 0.000 0.448 322 S N 0.365 116.116 115.700 0.084 0.000 2.400 322 S HA 0.365 4.835 4.470 -0.000 0.000 0.295 322 S C -0.158 174.512 174.600 0.116 0.000 1.113 322 S CA -0.527 57.728 58.200 0.092 0.000 1.064 322 S CB -0.322 62.932 63.200 0.090 0.000 0.990 322 S HN 0.031 nan 8.310 nan 0.000 0.502 323 L N 4.009 125.295 121.223 0.105 0.000 2.334 323 L HA 0.503 4.843 4.340 -0.000 0.000 0.270 323 L C -0.319 176.648 176.870 0.162 0.000 1.018 323 L CA -1.280 53.627 54.840 0.112 0.000 0.811 323 L CB 0.829 42.915 42.059 0.045 0.000 1.271 323 L HN 0.559 nan 8.230 nan 0.000 0.443 324 Y N 1.894 122.203 120.300 0.016 0.000 2.632 324 Y HA -0.043 4.506 4.550 -0.000 0.000 0.329 324 Y C 1.066 177.012 175.900 0.077 0.000 1.174 324 Y CA 0.081 58.231 58.100 0.084 0.000 1.469 324 Y CB 0.505 39.013 38.460 0.080 0.000 1.242 324 Y HN 0.396 nan 8.280 nan 0.000 0.540 325 K N 4.263 124.519 120.400 -0.239 0.000 2.404 325 K HA 0.272 4.591 4.320 -0.000 0.000 0.194 325 K C 0.667 177.197 176.600 -0.117 0.000 1.023 325 K CA 0.723 56.957 56.287 -0.087 0.000 1.094 325 K CB -0.267 32.293 32.500 0.100 0.000 0.841 325 K HN 0.971 nan 8.250 nan 0.000 0.523 326 G N 0.842 109.357 108.800 -0.475 0.000 2.663 326 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.686 326 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.686 326 G C -0.782 174.034 174.900 -0.141 0.000 1.288 326 G CA -0.913 44.084 45.100 -0.172 0.000 0.836 326 G HN 0.004 nan 8.290 nan 0.000 0.584 327 T N 0.992 115.603 114.554 0.095 0.000 2.829 327 T HA 0.531 4.881 4.350 -0.000 0.000 0.282 327 T C 1.667 176.429 174.700 0.103 0.000 0.990 327 T CA -0.358 61.826 62.100 0.141 0.000 1.028 327 T CB 1.727 70.739 68.868 0.240 0.000 0.951 327 T HN 0.561 nan 8.240 nan 0.000 0.460 328 L N 2.132 123.357 121.223 0.004 0.000 2.307 328 L HA 0.219 4.559 4.340 -0.000 0.000 0.211 328 L C 1.654 178.512 176.870 -0.019 0.000 1.099 328 L CA 0.716 55.541 54.840 -0.025 0.000 0.816 328 L CB -0.187 41.761 42.059 -0.185 0.000 0.952 328 L HN 1.071 nan 8.230 nan 0.000 0.455 329 G N 0.733 109.519 108.800 -0.023 0.000 2.204 329 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.244 329 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.244 329 G C 0.161 175.016 174.900 -0.074 0.000 1.062 329 G CA 0.272 45.355 45.100 -0.028 0.000 0.798 329 G HN 0.266 nan 8.290 nan 0.000 0.496 330 T N 1.460 115.949 114.554 -0.109 0.000 2.817 330 T HA 0.505 4.855 4.350 -0.000 0.000 0.295 330 T C 0.659 175.306 174.700 -0.089 0.000 0.958 330 T CA 0.809 62.836 62.100 -0.122 0.000 1.157 330 T CB 1.071 69.819 68.868 -0.200 0.000 0.898 330 T HN 1.407 nan 8.240 nan 0.000 0.536 331 S N 2.205 117.867 115.700 -0.064 0.000 2.548 331 S HA 0.766 5.236 4.470 -0.000 0.000 0.286 331 S C -0.841 173.839 174.600 0.134 0.000 1.098 331 S CA -0.888 57.298 58.200 -0.023 0.000 0.930 331 S CB 1.986 65.039 63.200 -0.245 0.000 1.070 331 S HN 0.548 nan 8.310 nan 0.000 0.480 332 V N 1.102 121.141 119.914 0.209 0.000 2.735 332 V HA 0.934 5.054 4.120 -0.000 0.000 0.310 332 V C -0.785 175.468 176.094 0.265 0.000 1.061 332 V CA -0.278 62.148 62.300 0.209 0.000 0.913 332 V CB 1.739 33.614 31.823 0.087 0.000 1.005 332 V HN 1.594 nan 8.190 nan 0.000 0.428 333 A N 5.322 128.204 122.820 0.103 0.000 2.422 333 A HA 0.714 5.034 4.320 -0.000 0.000 0.302 333 A C -0.977 176.543 177.584 -0.106 0.000 1.041 333 A CA -0.776 51.212 52.037 -0.082 0.000 0.708 333 A CB 1.646 20.285 19.000 -0.602 0.000 1.257 333 A HN 0.822 nan 8.150 nan 0.000 0.414 334 K N 2.170 122.528 120.400 -0.069 0.000 2.253 334 K HA 0.556 4.876 4.320 -0.000 0.000 0.277 334 K C -1.396 175.111 176.600 -0.156 0.000 1.053 334 K CA -0.253 55.989 56.287 -0.076 0.000 0.892 334 K CB 0.875 33.371 32.500 -0.007 0.000 1.102 334 K HN 0.414 nan 8.250 nan 0.000 0.469 335 V N 7.579 127.392 119.914 -0.169 0.000 2.284 335 V HA 0.234 4.354 4.120 -0.000 0.000 0.274 335 V C 0.008 176.029 176.094 -0.122 0.000 1.023 335 V CA -0.587 61.583 62.300 -0.217 0.000 0.808 335 V CB -0.679 31.067 31.823 -0.129 0.000 1.035 335 V HN 0.963 nan 8.190 nan 0.000 0.445 336 F N 1.596 121.442 119.950 -0.173 0.000 2.640 336 F HA -0.387 4.140 4.527 -0.000 0.000 0.227 336 F C 1.967 177.687 175.800 -0.133 0.000 1.481 336 F CA 2.151 59.989 58.000 -0.271 0.000 1.964 336 F CB -0.969 37.578 39.000 -0.756 0.000 0.564 336 F HN 0.678 nan 8.300 nan 0.000 0.224 337 D N 0.836 121.337 120.400 0.168 0.000 2.355 337 D HA 0.132 4.772 4.640 -0.000 0.000 0.218 337 D C 0.403 176.720 176.300 0.028 0.000 1.004 337 D CA 0.547 54.632 54.000 0.141 0.000 0.880 337 D CB -0.033 40.919 40.800 0.255 0.000 0.911 337 D HN 0.216 nan 8.370 nan 0.000 0.528 338 L N 1.054 122.241 121.223 -0.059 0.000 2.317 338 L HA 0.380 4.720 4.340 -0.000 0.000 0.281 338 L C -0.478 176.315 176.870 -0.129 0.000 1.024 338 L CA -0.171 54.556 54.840 -0.188 0.000 0.810 338 L CB 2.056 43.867 42.059 -0.413 0.000 1.240 338 L HN -0.253 nan 8.230 nan 0.000 0.427 339 T N 3.745 118.231 114.554 -0.112 0.000 2.829 339 T HA 0.657 5.007 4.350 -0.000 0.000 0.282 339 T C -0.757 173.885 174.700 -0.096 0.000 0.990 339 T CA -0.400 61.648 62.100 -0.087 0.000 1.028 339 T CB 1.373 70.210 68.868 -0.052 0.000 0.951 339 T HN 0.319 nan 8.240 nan 0.000 0.460 340 V N 2.219 122.079 119.914 -0.090 0.000 2.531 340 V HA 0.841 4.961 4.120 -0.000 0.000 0.301 340 V C -0.219 175.886 176.094 0.017 0.000 1.034 340 V CA -0.800 61.457 62.300 -0.071 0.000 0.865 340 V CB 1.483 33.219 31.823 -0.145 0.000 0.995 340 V HN 1.110 nan 8.190 nan 0.000 0.424 341 A N 3.093 125.943 122.820 0.049 0.000 2.454 341 A HA 0.970 5.289 4.320 -0.000 0.000 0.302 341 A C -0.536 177.101 177.584 0.088 0.000 1.079 341 A CA -0.623 51.467 52.037 0.089 0.000 0.731 341 A CB 2.414 21.432 19.000 0.030 0.000 1.299 341 A HN 0.766 nan 8.150 nan 0.000 0.413 342 T N -0.406 114.199 114.554 0.084 0.000 2.894 342 T HA 0.741 5.091 4.350 -0.000 0.000 0.309 342 T C -1.205 173.491 174.700 -0.006 0.000 1.208 342 T CA 0.113 62.239 62.100 0.045 0.000 1.016 342 T CB 1.871 70.783 68.868 0.073 0.000 1.192 342 T HN 1.420 nan 8.240 nan 0.000 0.491 343 T N 1.373 115.917 114.554 -0.016 0.000 3.012 343 T HA 0.643 4.993 4.350 -0.000 0.000 0.330 343 T C 0.282 174.976 174.700 -0.011 0.000 1.321 343 T CA 1.230 63.308 62.100 -0.037 0.000 1.067 343 T CB 0.639 69.468 68.868 -0.066 0.000 1.235 343 T HN 1.838 nan 8.240 nan 0.000 0.479 344 G N 2.648 111.447 108.800 -0.003 0.000 2.539 344 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.256 344 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.256 344 G C -0.951 173.967 174.900 0.030 0.000 1.233 344 G CA -0.082 45.043 45.100 0.041 0.000 0.936 344 G HN 0.936 nan 8.290 nan 0.000 0.571 345 L N 1.601 122.850 121.223 0.043 0.000 2.334 345 L HA 0.504 4.844 4.340 -0.000 0.000 0.275 345 L C 0.534 177.382 176.870 -0.036 0.000 1.036 345 L CA -0.839 53.999 54.840 -0.004 0.000 0.807 345 L CB 1.635 43.677 42.059 -0.028 0.000 1.231 345 L HN 0.922 nan 8.230 nan 0.000 0.438 346 N N -0.041 118.623 118.700 -0.059 0.000 2.502 346 N HA 0.165 4.905 4.740 -0.000 0.000 0.280 346 N C 0.329 175.739 175.510 -0.167 0.000 1.223 346 N CA -0.766 52.240 53.050 -0.073 0.000 0.966 346 N CB 0.647 39.125 38.487 -0.014 0.000 1.203 346 N HN 0.492 nan 8.380 nan 0.000 0.565 347 E N -0.055 120.033 120.200 -0.187 0.000 2.085 347 E HA -0.204 4.146 4.350 -0.000 0.000 0.194 347 E C 1.085 177.595 176.600 -0.149 0.000 0.994 347 E CA 1.367 57.581 56.400 -0.311 0.000 0.801 347 E CB -0.094 29.534 29.700 -0.121 0.000 0.743 347 E HN 0.562 nan 8.360 nan 0.000 0.453 348 K N 0.350 120.719 120.400 -0.051 0.000 2.063 348 K HA -0.155 4.165 4.320 -0.000 0.000 0.208 348 K C 2.132 178.711 176.600 -0.036 0.000 1.048 348 K CA 1.191 57.467 56.287 -0.019 0.000 0.928 348 K CB -0.149 32.358 32.500 0.011 0.000 0.713 348 K HN 0.152 nan 8.250 nan 0.000 0.442 349 I N 0.935 121.470 120.570 -0.058 0.000 2.286 349 I HA -0.239 3.931 4.170 -0.000 0.000 0.245 349 I C 2.133 178.199 176.117 -0.084 0.000 1.104 349 I CA 1.006 62.270 61.300 -0.060 0.000 1.397 349 I CB -0.166 37.801 38.000 -0.056 0.000 1.072 349 I HN 0.085 nan 8.210 nan 0.000 0.417 350 L N 0.497 121.632 121.223 -0.147 0.000 2.083 350 L HA -0.203 4.137 4.340 -0.000 0.000 0.209 350 L C 2.498 179.356 176.870 -0.020 0.000 1.083 350 L CA 1.422 56.166 54.840 -0.159 0.000 0.752 350 L CB -0.524 41.334 42.059 -0.336 0.000 0.899 350 L HN 0.192 nan 8.230 nan 0.000 0.433 351 K N -0.073 120.347 120.400 0.035 0.000 2.057 351 K HA -0.205 4.115 4.320 -0.000 0.000 0.207 351 K C 2.168 178.775 176.600 0.010 0.000 1.049 351 K CA 1.152 57.479 56.287 0.066 0.000 0.931 351 K CB -0.259 32.280 32.500 0.064 0.000 0.714 351 K HN 0.176 nan 8.250 nan 0.000 0.440 352 R N 1.232 121.726 120.500 -0.009 0.000 2.249 352 R HA -0.099 4.241 4.340 -0.000 0.000 0.230 352 R C 1.253 177.541 176.300 -0.020 0.000 1.121 352 R CA 1.064 57.155 56.100 -0.015 0.000 0.997 352 R CB 0.013 30.302 30.300 -0.017 0.000 0.867 352 R HN 0.189 nan 8.270 nan 0.000 0.465 353 L N 0.090 121.296 121.223 -0.029 0.000 2.766 353 L HA 0.232 4.572 4.340 -0.000 0.000 0.242 353 L C -0.401 176.450 176.870 -0.032 0.000 1.136 353 L CA -0.115 54.703 54.840 -0.036 0.000 0.933 353 L CB 0.091 42.116 42.059 -0.057 0.000 1.241 353 L HN 0.237 nan 8.230 nan 0.000 0.522 354 N N 0.768 119.455 118.700 -0.020 0.000 2.740 354 N HA -0.194 4.546 4.740 -0.000 0.000 0.248 354 N C -0.407 175.089 175.510 -0.024 0.000 1.062 354 N CA 0.167 53.207 53.050 -0.017 0.000 0.704 354 N CB -1.274 37.202 38.487 -0.018 0.000 0.968 354 N HN 0.299 nan 8.380 nan 0.000 0.547 355 I N 1.235 121.788 120.570 -0.029 0.000 2.312 355 I HA 0.294 4.463 4.170 -0.000 0.000 0.290 355 I C -1.803 174.316 176.117 0.003 0.000 1.008 355 I CA -2.023 59.240 61.300 -0.062 0.000 1.226 355 I CB 0.966 38.835 38.000 -0.218 0.000 1.371 355 I HN -0.135 nan 8.210 nan 0.000 0.468 356 P HA 0.071 nan 4.420 nan 0.000 0.267 356 P C -1.455 175.876 177.300 0.052 0.000 1.209 356 P CA 0.388 63.460 63.100 -0.046 0.000 0.763 356 P CB 0.220 31.905 31.700 -0.026 0.000 0.816 357 Y N -0.253 120.026 120.300 -0.035 0.000 2.644 357 Y HA 0.782 5.331 4.550 -0.000 0.000 0.338 357 Y C -0.661 175.151 175.900 -0.147 0.000 1.119 357 Y CA -1.328 56.757 58.100 -0.026 0.000 1.060 357 Y CB 1.315 39.764 38.460 -0.019 0.000 1.294 357 Y HN 0.122 nan 8.280 nan 0.000 0.472 358 E N 1.243 121.341 120.200 -0.170 0.000 2.312 358 E HA 0.591 4.940 4.350 -0.000 0.000 0.267 358 E C -1.196 175.187 176.600 -0.362 0.000 0.894 358 E CA -0.853 55.322 56.400 -0.375 0.000 0.773 358 E CB 2.814 32.101 29.700 -0.690 0.000 1.241 358 E HN 0.802 nan 8.360 nan 0.000 0.432 359 V N -1.145 118.745 119.914 -0.039 0.000 3.001 359 V HA 0.829 4.949 4.120 -0.000 0.000 0.314 359 V C -0.748 175.482 176.094 0.226 0.000 1.099 359 V CA -0.754 61.607 62.300 0.103 0.000 0.989 359 V CB 2.099 34.007 31.823 0.141 0.000 1.040 359 V HN 0.362 nan 8.190 nan 0.000 0.434 360 V N 2.315 122.368 119.914 0.233 0.000 2.841 360 V HA 0.701 4.821 4.120 -0.000 0.000 0.310 360 V C -1.452 174.651 176.094 0.016 0.000 1.090 360 V CA -0.327 62.101 62.300 0.214 0.000 0.930 360 V CB 2.373 34.348 31.823 0.253 0.000 1.014 360 V HN 1.165 nan 8.190 nan 0.000 0.425 361 H N 3.627 122.791 119.070 0.156 0.000 2.646 361 H HA 0.711 5.267 4.556 -0.000 0.000 0.328 361 H C -0.738 174.641 175.328 0.084 0.000 0.998 361 H CA -0.407 55.713 56.048 0.120 0.000 1.225 361 H CB 1.867 31.715 29.762 0.143 0.000 1.457 361 H HN 0.454 nan 8.280 nan 0.000 0.505 362 V N 3.625 123.619 119.914 0.134 0.000 2.487 362 V HA 0.260 4.380 4.120 -0.000 0.000 0.298 362 V C -0.353 175.772 176.094 0.052 0.000 1.028 362 V CA -0.859 61.492 62.300 0.085 0.000 0.860 362 V CB 1.818 33.669 31.823 0.047 0.000 0.991 362 V HN 0.728 nan 8.190 nan 0.000 0.427 363 Q N 3.345 123.174 119.800 0.047 0.000 2.290 363 Q HA 0.787 5.127 4.340 -0.000 0.000 0.259 363 Q C -0.667 175.342 176.000 0.015 0.000 0.941 363 Q CA -0.345 55.466 55.803 0.013 0.000 0.912 363 Q CB 1.785 30.531 28.738 0.013 0.000 1.244 363 Q HN 0.948 nan 8.270 nan 0.000 0.441 364 A N 4.024 126.842 122.820 -0.003 0.000 2.532 364 A HA 0.586 4.906 4.320 -0.000 0.000 0.290 364 A C -1.115 176.457 177.584 -0.021 0.000 1.143 364 A CA -0.971 51.066 52.037 -0.000 0.000 0.728 364 A CB 1.417 20.420 19.000 0.005 0.000 1.317 364 A HN 0.839 nan 8.150 nan 0.000 0.414 365 N N 0.756 119.440 118.700 -0.026 0.000 2.530 365 N HA 0.169 4.908 4.740 -0.000 0.000 0.277 365 N C 1.530 176.993 175.510 -0.078 0.000 1.168 365 N CA 0.663 53.673 53.050 -0.068 0.000 0.979 365 N CB 1.543 39.983 38.487 -0.078 0.000 1.141 365 N HN 0.729 nan 8.380 nan 0.000 0.459 366 S N 0.813 116.432 115.700 -0.135 0.000 2.383 366 S HA -0.141 4.329 4.470 -0.000 0.000 0.229 366 S C 0.743 175.323 174.600 -0.034 0.000 1.030 366 S CA 1.015 59.154 58.200 -0.101 0.000 1.002 366 S CB -0.475 62.645 63.200 -0.133 0.000 0.829 366 S HN 0.853 nan 8.310 nan 0.000 0.467 367 H N -1.303 117.762 119.070 -0.009 0.000 2.984 367 H HA 0.679 5.235 4.556 -0.000 0.000 0.277 367 H C -0.566 174.723 175.328 -0.065 0.000 1.502 367 H CA -0.935 55.095 56.048 -0.031 0.000 1.195 367 H CB 0.886 30.597 29.762 -0.085 0.000 1.866 367 H HN 0.193 nan 8.280 nan 0.000 0.594 368 A N 0.242 123.168 122.820 0.178 0.000 2.567 368 A HA 0.208 4.528 4.320 -0.000 0.000 0.240 368 A C 1.529 179.035 177.584 -0.129 0.000 1.053 368 A CA 0.607 52.556 52.037 -0.148 0.000 0.755 368 A CB -0.487 18.128 19.000 -0.641 0.000 0.978 368 A HN 0.840 nan 8.150 nan 0.000 0.507 369 G N 1.235 109.954 108.800 -0.135 0.000 2.448 369 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.219 369 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.219 369 G C 1.021 175.948 174.900 0.045 0.000 1.127 369 G CA 1.471 46.562 45.100 -0.015 0.000 0.766 369 G HN 1.067 nan 8.290 nan 0.000 0.552 370 Y N -1.850 118.547 120.300 0.162 0.000 2.546 370 Y HA 0.425 4.974 4.550 -0.000 0.000 0.287 370 Y C 0.657 176.645 175.900 0.146 0.000 1.158 370 Y CA -1.647 56.529 58.100 0.127 0.000 1.307 370 Y CB -0.645 37.882 38.460 0.111 0.000 1.036 370 Y HN 0.109 nan 8.280 nan 0.000 0.532 371 Y N 3.305 123.541 120.300 -0.107 0.000 2.320 371 Y HA 0.504 5.054 4.550 -0.000 0.000 0.334 371 Y C -2.388 173.563 175.900 0.084 0.000 1.055 371 Y CA -3.494 54.581 58.100 -0.042 0.000 1.143 371 Y CB 1.015 39.321 38.460 -0.257 0.000 1.193 371 Y HN -0.111 nan 8.280 nan 0.000 0.477 372 P HA -0.088 nan 4.420 nan 0.000 0.266 372 P C -0.754 176.631 177.300 0.142 0.000 1.186 372 P CA 0.920 63.942 63.100 -0.131 0.000 0.767 372 P CB 0.352 31.878 31.700 -0.290 0.000 0.820 373 N N -1.975 116.786 118.700 0.100 0.000 2.776 373 N HA -0.184 4.556 4.740 -0.000 0.000 0.249 373 N C -0.247 175.298 175.510 0.059 0.000 1.111 373 N CA 1.124 54.238 53.050 0.107 0.000 0.711 373 N CB -1.943 36.619 38.487 0.124 0.000 1.065 373 N HN 0.572 nan 8.380 nan 0.000 0.556 374 A N 0.155 122.937 122.820 -0.063 0.000 2.450 374 A HA 0.511 4.831 4.320 -0.000 0.000 0.255 374 A C 0.729 178.181 177.584 -0.221 0.000 1.096 374 A CA 0.544 52.296 52.037 -0.475 0.000 0.778 374 A CB 0.709 19.507 19.000 -0.336 0.000 1.031 374 A HN 0.208 nan 8.150 nan 0.000 0.494 375 T N 3.626 118.044 114.554 -0.227 0.000 2.893 375 T HA 0.673 5.023 4.350 -0.000 0.000 0.291 375 T C -2.927 171.716 174.700 -0.094 0.000 1.028 375 T CA -1.834 60.205 62.100 -0.102 0.000 0.995 375 T CB 1.456 70.291 68.868 -0.056 0.000 1.051 375 T HN 0.500 nan 8.240 nan 0.000 0.470 376 P HA 0.333 nan 4.420 nan 0.000 0.271 376 P C -1.142 176.120 177.300 -0.064 0.000 1.218 376 P CA -0.275 62.795 63.100 -0.049 0.000 0.780 376 P CB 0.757 32.442 31.700 -0.025 0.000 0.901 377 V N 4.215 124.090 119.914 -0.065 0.000 2.540 377 V HA 0.347 4.467 4.120 -0.000 0.000 0.302 377 V C 0.206 176.252 176.094 -0.080 0.000 1.035 377 V CA -0.795 61.461 62.300 -0.074 0.000 0.873 377 V CB 1.994 33.785 31.823 -0.053 0.000 0.992 377 V HN 0.476 nan 8.190 nan 0.000 0.428 378 L N 6.112 127.263 121.223 -0.119 0.000 2.296 378 L HA 0.662 5.002 4.340 -0.000 0.000 0.286 378 L C -1.099 175.729 176.870 -0.071 0.000 1.023 378 L CA -0.460 54.312 54.840 -0.113 0.000 0.812 378 L CB 1.351 43.264 42.059 -0.243 0.000 1.223 378 L HN 0.589 nan 8.230 nan 0.000 0.421 379 I N 5.105 125.657 120.570 -0.030 0.000 2.406 379 I HA 0.375 4.545 4.170 -0.000 0.000 0.290 379 I C -0.443 175.660 176.117 -0.023 0.000 0.999 379 I CA -0.632 60.653 61.300 -0.026 0.000 1.124 379 I CB 1.951 39.935 38.000 -0.027 0.000 1.289 379 I HN 0.489 nan 8.210 nan 0.000 0.441 380 K N 6.576 126.947 120.400 -0.048 0.000 2.235 380 K HA 0.614 4.934 4.320 -0.000 0.000 0.266 380 K C -1.722 174.840 176.600 -0.062 0.000 0.980 380 K CA -0.647 55.550 56.287 -0.150 0.000 0.849 380 K CB 1.716 34.102 32.500 -0.190 0.000 1.098 380 K HN 0.486 nan 8.250 nan 0.000 0.445 381 L N 6.128 127.341 121.223 -0.017 0.000 2.341 381 L HA 0.515 4.854 4.340 -0.000 0.000 0.278 381 L C -1.307 175.697 176.870 0.223 0.000 1.005 381 L CA -0.458 54.435 54.840 0.089 0.000 0.818 381 L CB 1.453 43.557 42.059 0.076 0.000 1.259 381 L HN 0.623 nan 8.230 nan 0.000 0.418 382 I N 5.933 126.627 120.570 0.207 0.000 2.354 382 I HA 0.559 4.729 4.170 -0.000 0.000 0.292 382 I C -0.751 175.572 176.117 0.343 0.000 0.989 382 I CA -0.495 60.931 61.300 0.211 0.000 1.188 382 I CB 1.095 39.132 38.000 0.062 0.000 1.342 382 I HN 0.577 nan 8.210 nan 0.000 0.457 383 F N 3.365 123.431 119.950 0.193 0.000 2.711 383 F HA 0.478 5.005 4.527 -0.000 0.000 0.313 383 F C -0.944 174.929 175.800 0.121 0.000 1.141 383 F CA -1.207 56.801 58.000 0.014 0.000 0.941 383 F CB 1.113 40.087 39.000 -0.044 0.000 1.349 383 F HN 0.289 nan 8.300 nan 0.000 0.464 384 N N 2.060 120.769 118.700 0.014 0.000 2.422 384 N HA 0.086 4.826 4.740 -0.000 0.000 0.264 384 N C 0.498 176.122 175.510 0.190 0.000 1.063 384 N CA -0.079 53.041 53.050 0.116 0.000 0.959 384 N CB 1.523 40.017 38.487 0.011 0.000 1.087 384 N HN 0.916 nan 8.380 nan 0.000 0.483 385 K N 3.042 123.508 120.400 0.111 0.000 2.209 385 K HA -0.131 4.189 4.320 -0.000 0.000 0.204 385 K C 0.259 176.937 176.600 0.130 0.000 1.048 385 K CA 1.314 57.696 56.287 0.157 0.000 0.940 385 K CB 0.342 32.877 32.500 0.057 0.000 0.729 385 K HN 0.568 nan 8.250 nan 0.000 0.451 386 D N -0.292 120.161 120.400 0.089 0.000 2.106 386 D HA -0.104 4.536 4.640 -0.000 0.000 0.203 386 D C 2.022 178.354 176.300 0.054 0.000 0.977 386 D CA 1.695 55.732 54.000 0.060 0.000 0.844 386 D CB -0.325 40.503 40.800 0.047 0.000 1.002 386 D HN 0.263 nan 8.370 nan 0.000 0.461 387 S N -0.685 115.045 115.700 0.050 0.000 2.446 387 S HA 0.191 4.661 4.470 -0.000 0.000 0.225 387 S C 1.931 176.540 174.600 0.014 0.000 1.016 387 S CA 1.047 59.260 58.200 0.022 0.000 0.943 387 S CB 0.228 63.430 63.200 0.004 0.000 0.786 387 S HN 0.387 nan 8.310 nan 0.000 0.508 388 G N 1.580 110.409 108.800 0.048 0.000 2.184 388 G HA2 -0.348 3.612 3.960 -0.000 0.000 0.264 388 G HA3 -0.348 3.612 3.960 -0.000 0.000 0.264 388 G C 0.062 174.939 174.900 -0.039 0.000 0.975 388 G CA 0.416 45.533 45.100 0.029 0.000 0.642 388 G HN 0.775 nan 8.290 nan 0.000 0.536 389 K N 0.595 120.936 120.400 -0.098 0.000 2.550 389 K HA 0.236 4.556 4.320 -0.000 0.000 0.280 389 K C 0.499 176.916 176.600 -0.306 0.000 0.987 389 K CA 0.066 56.231 56.287 -0.205 0.000 1.048 389 K CB -0.016 32.315 32.500 -0.282 0.000 0.879 389 K HN 0.331 nan 8.250 nan 0.000 0.491 390 I N 5.588 126.039 120.570 -0.198 0.000 2.342 390 I HA 0.039 4.209 4.170 -0.000 0.000 0.291 390 I C 0.118 176.171 176.117 -0.107 0.000 1.010 390 I CA -0.477 60.755 61.300 -0.113 0.000 1.308 390 I CB 0.761 38.743 38.000 -0.030 0.000 1.400 390 I HN 0.697 nan 8.210 nan 0.000 0.488 391 Y N 4.301 124.658 120.300 0.095 0.000 2.476 391 Y HA 0.390 4.940 4.550 -0.000 0.000 0.283 391 Y C 1.339 177.255 175.900 0.026 0.000 1.109 391 Y CA -0.109 58.022 58.100 0.051 0.000 1.246 391 Y CB 0.254 38.726 38.460 0.020 0.000 1.068 391 Y HN 0.634 nan 8.280 nan 0.000 0.552 392 G N -1.220 107.679 108.800 0.165 0.000 2.328 392 G HA2 0.601 4.561 3.960 -0.000 0.000 0.295 392 G HA3 0.601 4.561 3.960 -0.000 0.000 0.295 392 G C -1.970 172.962 174.900 0.054 0.000 1.413 392 G CA -0.231 44.917 45.100 0.081 0.000 0.817 392 G HN 0.244 nan 8.290 nan 0.000 0.546 393 A N -0.426 122.407 122.820 0.022 0.000 2.549 393 A HA 0.894 5.214 4.320 -0.000 0.000 0.297 393 A C -0.903 176.684 177.584 0.005 0.000 1.061 393 A CA -0.510 51.533 52.037 0.009 0.000 0.690 393 A CB 1.948 20.944 19.000 -0.007 0.000 1.287 393 A HN 0.717 nan 8.150 nan 0.000 0.402 394 Q N 0.192 119.993 119.800 0.002 0.000 2.347 394 Q HA 0.710 5.050 4.340 -0.000 0.000 0.271 394 Q C -1.244 174.752 176.000 -0.007 0.000 1.064 394 Q CA -0.598 55.212 55.803 0.011 0.000 0.800 394 Q CB 2.813 31.569 28.738 0.029 0.000 1.304 394 Q HN 0.702 nan 8.270 nan 0.000 0.438 395 T N 2.138 116.686 114.554 -0.010 0.000 2.912 395 T HA 0.748 5.098 4.350 -0.000 0.000 0.299 395 T C -1.414 173.255 174.700 -0.053 0.000 1.052 395 T CA -0.693 61.386 62.100 -0.035 0.000 0.996 395 T CB 1.105 69.953 68.868 -0.033 0.000 1.070 395 T HN 0.490 nan 8.240 nan 0.000 0.465 396 L N -0.518 120.649 121.223 -0.093 0.000 2.518 396 L HA 1.065 5.405 4.340 -0.000 0.000 0.257 396 L C -0.431 176.353 176.870 -0.143 0.000 0.980 396 L CA -0.458 54.307 54.840 -0.124 0.000 0.837 396 L CB 1.668 43.634 42.059 -0.155 0.000 1.410 396 L HN 1.017 nan 8.230 nan 0.000 0.410 397 G N 0.993 109.710 108.800 -0.138 0.000 2.321 397 G HA2 0.263 4.223 3.960 -0.000 0.000 0.298 397 G HA3 0.263 4.223 3.960 -0.000 0.000 0.298 397 G C -0.531 174.311 174.900 -0.097 0.000 1.385 397 G CA -0.500 44.531 45.100 -0.115 0.000 0.856 397 G HN 0.695 nan 8.290 nan 0.000 0.584 398 R N -0.716 119.749 120.500 -0.059 0.000 2.161 398 R HA 0.205 4.545 4.340 -0.000 0.000 0.213 398 R C -0.024 176.268 176.300 -0.014 0.000 1.055 398 R CA 1.095 57.178 56.100 -0.028 0.000 0.996 398 R CB 0.248 30.558 30.300 0.017 0.000 0.901 398 R HN 0.515 nan 8.270 nan 0.000 0.456 399 D N -2.551 117.838 120.400 -0.018 0.000 2.602 399 D HA 0.300 4.940 4.640 -0.000 0.000 0.236 399 D C -0.093 176.205 176.300 -0.004 0.000 1.209 399 D CA 0.325 54.325 54.000 0.000 0.000 0.831 399 D CB 1.575 42.389 40.800 0.024 0.000 1.478 399 D HN 0.069 nan 8.370 nan 0.000 0.438 400 G N 0.266 109.076 108.800 0.016 0.000 2.160 400 G HA2 -0.242 3.717 3.960 -0.000 0.000 0.251 400 G HA3 -0.242 3.717 3.960 -0.000 0.000 0.251 400 G C 0.914 175.813 174.900 -0.002 0.000 1.008 400 G CA 0.583 45.695 45.100 0.020 0.000 0.724 400 G HN 0.457 nan 8.290 nan 0.000 0.514 401 V N 1.181 121.087 119.914 -0.013 0.000 2.426 401 V HA -0.044 4.076 4.120 -0.000 0.000 0.242 401 V C 2.813 178.895 176.094 -0.020 0.000 1.036 401 V CA 2.308 64.593 62.300 -0.024 0.000 1.044 401 V CB -0.290 31.512 31.823 -0.035 0.000 0.688 401 V HN 0.639 nan 8.190 nan 0.000 0.462 402 D N 1.303 121.694 120.400 -0.014 0.000 2.116 402 D HA -0.319 4.321 4.640 -0.000 0.000 0.193 402 D C 1.962 178.248 176.300 -0.023 0.000 0.998 402 D CA 1.968 55.958 54.000 -0.016 0.000 0.836 402 D CB -0.479 40.314 40.800 -0.011 0.000 0.951 402 D HN 0.455 nan 8.370 nan 0.000 0.449 403 K N 0.389 120.780 120.400 -0.015 0.000 2.044 403 K HA -0.175 4.145 4.320 -0.000 0.000 0.210 403 K C 1.055 177.638 176.600 -0.028 0.000 1.049 403 K CA 0.856 57.133 56.287 -0.018 0.000 0.927 403 K CB 0.126 32.626 32.500 -0.000 0.000 0.713 403 K HN -0.058 nan 8.250 nan 0.000 0.443 407 V N 2.041 121.909 119.914 -0.077 0.000 2.255 407 V HA -0.199 3.921 4.120 -0.000 0.000 0.247 407 V C 2.500 178.542 176.094 -0.086 0.000 1.051 407 V CA 1.730 63.984 62.300 -0.076 0.000 1.018 407 V CB -0.477 31.309 31.823 -0.062 0.000 0.641 407 V HN 0.234 nan 8.190 nan 0.000 0.445 408 I N 0.228 120.749 120.570 -0.082 0.000 2.286 408 I HA -0.212 3.957 4.170 -0.000 0.000 0.248 408 I C 2.613 178.670 176.117 -0.100 0.000 1.115 408 I CA 1.307 62.558 61.300 -0.083 0.000 1.392 408 I CB -0.550 37.409 38.000 -0.068 0.000 1.065 408 I HN 0.294 nan 8.210 nan 0.000 0.418 409 A N 0.367 123.115 122.820 -0.120 0.000 1.902 409 A HA -0.190 4.130 4.320 -0.000 0.000 0.217 409 A C 2.385 179.851 177.584 -0.198 0.000 1.181 409 A CA 2.347 54.284 52.037 -0.167 0.000 0.623 409 A CB -1.024 17.857 19.000 -0.198 0.000 0.818 409 A HN 0.355 nan 8.150 nan 0.000 0.443 410 T N 0.293 114.747 114.554 -0.166 0.000 2.746 410 T HA -0.024 4.325 4.350 -0.000 0.000 0.267 410 T C 2.229 176.850 174.700 -0.132 0.000 1.039 410 T CA 1.568 63.576 62.100 -0.154 0.000 1.142 410 T CB -0.450 68.349 68.868 -0.116 0.000 0.866 410 T HN 0.598 nan 8.240 nan 0.000 0.444 411 A N 1.221 123.976 122.820 -0.109 0.000 1.883 411 A HA -0.055 4.265 4.320 -0.000 0.000 0.217 411 A C 2.281 179.818 177.584 -0.079 0.000 1.186 411 A CA 1.343 53.328 52.037 -0.087 0.000 0.624 411 A CB -0.835 18.115 19.000 -0.082 0.000 0.822 411 A HN 0.521 nan 8.150 nan 0.000 0.444 412 I N -0.519 119.995 120.570 -0.093 0.000 2.163 412 I HA -0.291 3.878 4.170 -0.000 0.000 0.243 412 I C 2.421 178.474 176.117 -0.106 0.000 1.085 412 I CA 1.723 62.989 61.300 -0.058 0.000 1.347 412 I CB -0.295 37.667 38.000 -0.064 0.000 1.044 412 I HN 0.275 nan 8.210 nan 0.000 0.408 413 K N 0.643 120.840 120.400 -0.340 0.000 2.283 413 K HA -0.050 4.270 4.320 -0.000 0.000 0.202 413 K C 1.736 178.238 176.600 -0.163 0.000 1.048 413 K CA 1.162 57.108 56.287 -0.568 0.000 0.948 413 K CB -0.076 32.059 32.500 -0.609 0.000 0.742 413 K HN 0.316 nan 8.250 nan 0.000 0.458 414 A N 0.919 123.690 122.820 -0.080 0.000 2.307 414 A HA 0.045 4.365 4.320 -0.000 0.000 0.218 414 A C -0.061 177.542 177.584 0.032 0.000 1.228 414 A CA 0.005 52.033 52.037 -0.015 0.000 0.857 414 A CB -0.382 18.596 19.000 -0.037 0.000 0.897 414 A HN 0.481 nan 8.150 nan 0.000 0.495 415 N N -1.093 117.655 118.700 0.080 0.000 2.747 415 N HA -0.134 4.606 4.740 -0.000 0.000 0.249 415 N C -0.646 174.878 175.510 0.023 0.000 1.107 415 N CA 0.561 53.662 53.050 0.085 0.000 0.707 415 N CB -1.437 37.100 38.487 0.085 0.000 1.054 415 N HN 0.552 nan 8.380 nan 0.000 0.555 416 L N 0.363 121.585 121.223 -0.003 0.000 2.371 416 L HA 0.346 4.686 4.340 -0.000 0.000 0.272 416 L C 1.514 178.359 176.870 -0.043 0.000 1.124 416 L CA -0.464 54.358 54.840 -0.030 0.000 0.816 416 L CB 0.684 42.714 42.059 -0.048 0.000 1.129 416 L HN 0.176 nan 8.230 nan 0.000 0.448 417 T N -1.706 112.816 114.554 -0.053 0.000 2.824 417 T HA 0.210 4.560 4.350 -0.000 0.000 0.277 417 T C 1.310 175.946 174.700 -0.106 0.000 0.975 417 T CA -0.377 61.681 62.100 -0.071 0.000 0.966 417 T CB 1.465 70.298 68.868 -0.058 0.000 1.054 417 T HN 0.444 nan 8.240 nan 0.000 0.533 418 V N -0.330 119.496 119.914 -0.147 0.000 2.867 418 V HA -0.015 4.105 4.120 -0.000 0.000 0.260 418 V C 2.167 178.145 176.094 -0.195 0.000 1.099 418 V CA 1.191 63.356 62.300 -0.225 0.000 1.122 418 V CB -1.454 30.115 31.823 -0.423 0.000 0.708 418 V HN 0.799 nan 8.190 nan 0.000 0.490 419 L N 0.081 121.224 121.223 -0.134 0.000 2.376 419 L HA 0.010 4.350 4.340 -0.000 0.000 0.219 419 L C 2.123 178.932 176.870 -0.101 0.000 1.133 419 L CA 1.201 55.983 54.840 -0.096 0.000 0.816 419 L CB -0.615 41.414 42.059 -0.048 0.000 0.933 419 L HN 0.327 nan 8.230 nan 0.000 0.449 420 D N -0.126 120.211 120.400 -0.105 0.000 2.327 420 D HA 0.005 4.645 4.640 -0.000 0.000 0.205 420 D C 2.383 178.603 176.300 -0.134 0.000 0.989 420 D CA 0.493 54.434 54.000 -0.097 0.000 0.873 420 D CB 0.308 41.064 40.800 -0.072 0.000 0.955 420 D HN 0.288 nan 8.370 nan 0.000 0.515 421 L N 1.035 122.156 121.223 -0.170 0.000 2.079 421 L HA -0.129 4.211 4.340 -0.000 0.000 0.210 421 L C -0.522 176.188 176.870 -0.267 0.000 1.081 421 L CA 1.373 56.096 54.840 -0.196 0.000 0.752 421 L CB -1.564 40.371 42.059 -0.207 0.000 0.896 421 L HN 0.013 nan 8.230 nan 0.000 0.433 422 P HA -0.134 nan 4.420 nan 0.000 0.226 422 P C 0.717 177.850 177.300 -0.279 0.000 1.153 422 P CA 1.195 63.936 63.100 -0.599 0.000 0.777 422 P CB 0.016 31.133 31.700 -0.972 0.000 0.794 423 D N -1.350 118.948 120.400 -0.169 0.000 2.339 423 D HA 0.046 4.686 4.640 -0.000 0.000 0.217 423 D C 0.125 176.383 176.300 -0.069 0.000 1.050 423 D CA 0.049 53.999 54.000 -0.084 0.000 0.856 423 D CB -0.460 40.305 40.800 -0.058 0.000 0.922 423 D HN 0.061 nan 8.370 nan 0.000 0.518 424 L N 1.789 122.958 121.223 -0.089 0.000 2.385 424 L HA 0.192 4.532 4.340 -0.000 0.000 0.281 424 L C 0.531 177.375 176.870 -0.043 0.000 1.106 424 L CA -0.206 54.595 54.840 -0.065 0.000 0.856 424 L CB 0.713 42.727 42.059 -0.075 0.000 1.186 424 L HN 0.043 nan 8.230 nan 0.000 0.453 425 E N 5.340 125.525 120.200 -0.026 0.000 2.003 425 E HA 0.306 4.655 4.350 -0.000 0.000 0.279 425 E C -0.871 175.726 176.600 -0.004 0.000 1.132 425 E CA -0.360 56.036 56.400 -0.007 0.000 0.888 425 E CB 0.461 30.161 29.700 -0.001 0.000 1.056 425 E HN 0.497 nan 8.360 nan 0.000 0.399 426 L N 2.501 123.729 121.223 0.007 0.000 2.358 426 L HA 0.381 4.721 4.340 -0.000 0.000 0.268 426 L C 0.379 177.275 176.870 0.043 0.000 1.032 426 L CA -1.217 53.631 54.840 0.012 0.000 0.805 426 L CB 1.760 43.825 42.059 0.010 0.000 1.253 426 L HN 0.377 nan 8.230 nan 0.000 0.452 427 S N 0.305 116.021 115.700 0.026 0.000 2.516 427 S HA 0.096 4.566 4.470 -0.000 0.000 0.282 427 S C -0.758 173.916 174.600 0.123 0.000 1.286 427 S CA -0.006 58.213 58.200 0.031 0.000 1.066 427 S CB -0.229 62.938 63.200 -0.055 0.000 0.884 427 S HN 0.397 nan 8.310 nan 0.000 0.491 428 Y N 2.724 123.033 120.300 0.014 0.000 2.356 428 Y HA 0.566 5.115 4.550 -0.000 0.000 0.334 428 Y C -0.332 175.600 175.900 0.053 0.000 0.958 428 Y CA -0.615 57.509 58.100 0.039 0.000 1.196 428 Y CB 0.263 38.748 38.460 0.041 0.000 1.137 428 Y HN 0.715 nan 8.280 nan 0.000 0.485 429 A N 7.041 129.535 122.820 -0.543 0.000 2.486 429 A HA 0.542 4.861 4.320 -0.000 0.000 0.300 429 A C -2.461 174.751 177.584 -0.619 0.000 1.048 429 A CA -1.961 49.690 52.037 -0.642 0.000 0.696 429 A CB 1.548 20.457 19.000 -0.151 0.000 1.278 429 A HN 0.553 nan 8.150 nan 0.000 0.405 430 P HA -0.172 nan 4.420 nan 0.000 0.218 430 P C -1.535 175.243 177.300 -0.870 0.000 1.154 430 P CA 2.075 64.882 63.100 -0.488 0.000 0.872 430 P CB -0.722 30.837 31.700 -0.235 0.000 0.790 431 P HA -0.076 nan 4.420 nan 0.000 0.233 431 P C 0.587 177.177 177.300 -1.184 0.000 1.167 431 P CA 1.321 63.396 63.100 -1.709 0.000 0.770 431 P CB -0.347 30.354 31.700 -1.664 0.000 0.837 432 Y N -2.720 117.376 120.300 -0.339 0.000 2.467 432 Y HA 0.400 4.950 4.550 -0.000 0.000 0.259 432 Y C 1.286 177.197 175.900 0.019 0.000 1.084 432 Y CA 0.031 58.062 58.100 -0.115 0.000 1.275 432 Y CB 0.484 38.874 38.460 -0.117 0.000 1.208 432 Y HN -0.163 nan 8.280 nan 0.000 0.511 433 S N -1.711 114.100 115.700 0.184 0.000 2.694 433 S HA 0.670 5.140 4.470 -0.000 0.000 0.273 433 S C -1.129 173.672 174.600 0.335 0.000 1.180 433 S CA -0.584 57.760 58.200 0.240 0.000 0.864 433 S CB 0.747 64.094 63.200 0.244 0.000 1.198 433 S HN -0.072 nan 8.310 nan 0.000 0.499 434 S N 0.468 116.315 115.700 0.246 0.000 2.689 434 S HA 0.714 5.184 4.470 -0.000 0.000 0.306 434 S C 1.243 175.685 174.600 -0.264 0.000 1.104 434 S CA -0.070 58.191 58.200 0.101 0.000 0.973 434 S CB 1.348 64.563 63.200 0.024 0.000 1.121 434 S HN 1.017 nan 8.310 nan 0.000 0.523 435 A N 0.897 123.279 122.820 -0.730 0.000 1.978 435 A HA -0.051 4.269 4.320 -0.000 0.000 0.220 435 A C 0.562 177.999 177.584 -0.245 0.000 1.170 435 A CA 1.440 53.035 52.037 -0.736 0.000 0.636 435 A CB -0.306 18.361 19.000 -0.555 0.000 0.810 435 A HN 0.643 nan 8.150 nan 0.000 0.448 436 K N 0.932 121.261 120.400 -0.117 0.000 2.389 436 K HA 0.300 4.620 4.320 -0.000 0.000 0.261 436 K C -1.324 175.283 176.600 0.013 0.000 1.014 436 K CA -0.475 55.814 56.287 0.003 0.000 0.920 436 K CB 1.249 33.799 32.500 0.082 0.000 1.149 436 K HN 0.352 nan 8.250 nan 0.000 0.444 437 D N 2.874 123.284 120.400 0.017 0.000 2.419 437 D HA -0.012 4.628 4.640 -0.000 0.000 0.236 437 D C -1.442 174.866 176.300 0.014 0.000 1.165 437 D CA -1.365 52.651 54.000 0.025 0.000 0.882 437 D CB 0.916 41.729 40.800 0.021 0.000 1.201 437 D HN 0.173 nan 8.370 nan 0.000 0.443 438 P HA -0.195 nan 4.420 nan 0.000 0.217 438 P C 1.173 178.460 177.300 -0.022 0.000 1.148 438 P CA 0.706 63.806 63.100 -0.001 0.000 0.834 438 P CB 0.171 31.867 31.700 -0.007 0.000 0.783 439 V N -1.105 118.788 119.914 -0.036 0.000 2.358 439 V HA -0.193 3.927 4.120 -0.000 0.000 0.246 439 V C 1.202 177.230 176.094 -0.110 0.000 1.047 439 V CA 1.293 63.553 62.300 -0.067 0.000 1.035 439 V CB -1.323 30.460 31.823 -0.066 0.000 0.658 439 V HN 0.203 nan 8.190 nan 0.000 0.452 443 G N -0.231 108.456 108.800 -0.188 0.000 2.446 443 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.217 443 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.217 443 G C 1.130 175.881 174.900 -0.249 0.000 1.168 443 G CA 1.875 46.810 45.100 -0.275 0.000 0.771 443 G HN 0.566 nan 8.290 nan 0.000 0.551 444 Y N 1.293 121.525 120.300 -0.112 0.000 2.163 444 Y HA 0.074 4.624 4.550 -0.000 0.000 0.288 444 Y C 3.166 178.981 175.900 -0.142 0.000 1.136 444 Y CA 0.527 58.563 58.100 -0.107 0.000 1.147 444 Y CB -0.809 37.595 38.460 -0.093 0.000 0.987 444 Y HN 0.261 nan 8.280 nan 0.000 0.509 445 A N 0.142 122.966 122.820 0.005 0.000 1.883 445 A HA -0.198 4.122 4.320 -0.000 0.000 0.217 445 A C 2.487 180.021 177.584 -0.083 0.000 1.186 445 A CA 2.280 54.264 52.037 -0.089 0.000 0.624 445 A CB -1.319 17.647 19.000 -0.057 0.000 0.822 445 A HN 0.410 nan 8.150 nan 0.000 0.444 446 A N -0.836 121.872 122.820 -0.187 0.000 1.898 446 A HA -0.042 4.277 4.320 -0.000 0.000 0.216 446 A C 2.433 179.831 177.584 -0.310 0.000 1.181 446 A CA 2.000 53.756 52.037 -0.469 0.000 0.620 446 A CB -0.863 17.546 19.000 -0.985 0.000 0.819 446 A HN 0.456 nan 8.150 nan 0.000 0.442 447 S N 0.713 116.309 115.700 -0.173 0.000 2.382 447 S HA -0.155 4.315 4.470 -0.000 0.000 0.228 447 S C 1.834 176.503 174.600 0.114 0.000 1.027 447 S CA 1.326 59.510 58.200 -0.027 0.000 0.991 447 S CB -0.452 62.766 63.200 0.030 0.000 0.823 447 S HN 0.658 nan 8.310 nan 0.000 0.469 448 N N 1.486 120.270 118.700 0.139 0.000 2.223 448 N HA 0.033 4.773 4.740 -0.000 0.000 0.185 448 N C 1.560 177.207 175.510 0.229 0.000 1.016 448 N CA 0.906 54.120 53.050 0.272 0.000 0.863 448 N CB -0.355 38.199 38.487 0.111 0.000 0.983 448 N HN 0.420 nan 8.380 nan 0.000 0.429 449 I N 0.016 120.684 120.570 0.164 0.000 2.233 449 I HA -0.153 4.017 4.170 -0.000 0.000 0.243 449 I C 1.969 178.198 176.117 0.186 0.000 1.093 449 I CA 0.549 61.973 61.300 0.207 0.000 1.380 449 I CB -0.171 38.026 38.000 0.329 0.000 1.067 449 I HN -0.116 nan 8.210 nan 0.000 0.413 450 V N 0.845 120.865 119.914 0.176 0.000 2.392 450 V HA -0.286 3.834 4.120 -0.000 0.000 0.249 450 V C 1.690 177.812 176.094 0.046 0.000 1.059 450 V CA 1.891 64.270 62.300 0.131 0.000 1.051 450 V CB -0.626 31.249 31.823 0.087 0.000 0.658 450 V HN 0.421 nan 8.190 nan 0.000 0.455 451 D N -0.431 119.979 120.400 0.017 0.000 2.348 451 D HA 0.148 4.788 4.640 -0.000 0.000 0.211 451 D C 1.790 177.915 176.300 -0.292 0.000 0.998 451 D CA 1.107 55.026 54.000 -0.135 0.000 0.873 451 D CB 0.482 41.205 40.800 -0.129 0.000 0.925 451 D HN 0.532 nan 8.370 nan 0.000 0.524 452 G N 0.675 109.395 108.800 -0.133 0.000 2.132 452 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.234 452 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.234 452 G C 0.707 175.542 174.900 -0.107 0.000 0.989 452 G CA 0.016 45.047 45.100 -0.114 0.000 0.676 452 G HN 0.252 nan 8.290 nan 0.000 0.522 453 F N -0.487 119.523 119.950 0.099 0.000 2.407 453 F HA 0.439 4.966 4.527 -0.000 0.000 0.299 453 F C 1.523 177.419 175.800 0.161 0.000 1.097 453 F CA 1.213 59.289 58.000 0.126 0.000 1.422 453 F CB 0.353 39.453 39.000 0.167 0.000 1.067 453 F HN 0.254 nan 8.300 nan 0.000 0.539 454 V N -0.605 119.497 119.914 0.313 0.000 2.969 454 V HA 0.390 4.510 4.120 -0.000 0.000 0.304 454 V C -1.762 174.436 176.094 0.172 0.000 1.192 454 V CA -0.816 61.641 62.300 0.263 0.000 0.962 454 V CB 2.218 34.264 31.823 0.372 0.000 1.045 454 V HN -0.133 nan 8.190 nan 0.000 0.428 455 D N 2.843 123.321 120.400 0.129 0.000 2.362 455 D HA 0.761 5.401 4.640 -0.000 0.000 0.247 455 D C -0.346 176.016 176.300 0.102 0.000 1.050 455 D CA 0.186 54.243 54.000 0.095 0.000 0.839 455 D CB 2.251 43.082 40.800 0.052 0.000 1.283 455 D HN 0.849 nan 8.370 nan 0.000 0.477 456 T N -0.582 114.039 114.554 0.111 0.000 2.924 456 T HA 0.740 5.090 4.350 -0.000 0.000 0.291 456 T C -0.048 174.722 174.700 0.116 0.000 1.045 456 T CA -0.814 61.363 62.100 0.128 0.000 1.015 456 T CB 1.268 70.226 68.868 0.149 0.000 1.103 456 T HN 0.263 nan 8.240 nan 0.000 0.496 457 V N -0.925 119.068 119.914 0.132 0.000 2.960 457 V HA 0.698 4.818 4.120 -0.000 0.000 0.315 457 V C -0.678 175.425 176.094 0.016 0.000 1.087 457 V CA -1.174 61.175 62.300 0.081 0.000 0.982 457 V CB 1.780 33.692 31.823 0.149 0.000 1.039 457 V HN 0.910 nan 8.190 nan 0.000 0.437 458 Q N 2.438 122.141 119.800 -0.163 0.000 2.221 458 Q HA 0.218 4.557 4.340 -0.000 0.000 0.242 458 Q C 1.199 176.989 176.000 -0.351 0.000 0.940 458 Q CA -0.363 55.242 55.803 -0.329 0.000 0.896 458 Q CB 1.337 29.590 28.738 -0.809 0.000 1.226 458 Q HN 1.097 nan 8.270 nan 0.000 0.463 459 W N 2.629 123.864 121.300 -0.109 0.000 2.313 459 W HA -0.269 4.391 4.660 -0.000 0.000 0.293 459 W C 0.896 177.445 176.519 0.051 0.000 1.216 459 W CA 1.935 59.306 57.345 0.044 0.000 1.223 459 W CB -0.933 28.540 29.460 0.022 0.000 1.138 459 W HN 0.854 nan 8.180 nan 0.000 0.535 460 H N -0.911 117.652 119.070 -0.846 0.000 2.539 460 H HA 0.276 4.832 4.556 -0.000 0.000 0.267 460 H C 1.419 176.560 175.328 -0.311 0.000 0.982 460 H CA 1.075 56.668 56.048 -0.759 0.000 1.146 460 H CB -0.687 28.294 29.762 -1.302 0.000 1.382 460 H HN 0.285 nan 8.280 nan 0.000 0.577 461 E N -0.159 119.868 120.200 -0.288 0.000 2.290 461 E HA 0.058 4.408 4.350 -0.000 0.000 0.197 461 E C 1.386 177.928 176.600 -0.096 0.000 0.948 461 E CA 0.278 56.594 56.400 -0.140 0.000 0.895 461 E CB 0.201 29.792 29.700 -0.181 0.000 0.865 461 E HN 0.276 nan 8.360 nan 0.000 0.486 462 I N 2.707 123.237 120.570 -0.066 0.000 2.118 462 I HA -0.297 3.873 4.170 -0.000 0.000 0.241 462 I C 1.584 177.654 176.117 -0.080 0.000 1.070 462 I CA 1.755 63.004 61.300 -0.086 0.000 1.327 462 I CB -0.190 37.790 38.000 -0.032 0.000 1.034 462 I HN 0.005 nan 8.210 nan 0.000 0.405 463 D N -0.066 120.355 120.400 0.035 0.000 2.123 463 D HA -0.249 4.391 4.640 -0.000 0.000 0.196 463 D C 2.337 178.626 176.300 -0.018 0.000 0.992 463 D CA 1.384 55.405 54.000 0.035 0.000 0.833 463 D CB -0.282 40.592 40.800 0.124 0.000 0.954 463 D HN 0.341 nan 8.370 nan 0.000 0.455 464 R N 0.323 120.809 120.500 -0.023 0.000 2.096 464 R HA -0.040 4.300 4.340 -0.000 0.000 0.235 464 R C 2.507 178.763 176.300 -0.073 0.000 1.127 464 R CA 0.623 56.701 56.100 -0.036 0.000 0.968 464 R CB -0.188 30.096 30.300 -0.027 0.000 0.861 464 R HN 0.143 nan 8.270 nan 0.000 0.440 465 I N -0.291 120.198 120.570 -0.135 0.000 2.286 465 I HA -0.256 3.913 4.170 -0.000 0.000 0.248 465 I C 1.982 177.975 176.117 -0.207 0.000 1.115 465 I CA 0.910 62.075 61.300 -0.226 0.000 1.392 465 I CB -0.049 37.668 38.000 -0.472 0.000 1.065 465 I HN 0.030 nan 8.210 nan 0.000 0.418 466 V N 0.520 120.325 119.914 -0.182 0.000 2.343 466 V HA -0.275 3.845 4.120 -0.000 0.000 0.247 466 V C 2.298 178.354 176.094 -0.064 0.000 1.051 466 V CA 1.871 64.099 62.300 -0.121 0.000 1.036 466 V CB -0.643 31.114 31.823 -0.110 0.000 0.654 466 V HN 0.425 nan 8.190 nan 0.000 0.451 467 E N 0.441 120.612 120.200 -0.048 0.000 2.118 467 E HA -0.200 4.150 4.350 -0.000 0.000 0.195 467 E C 1.587 178.177 176.600 -0.016 0.000 0.992 467 E CA 1.298 57.684 56.400 -0.023 0.000 0.804 467 E CB -0.164 29.527 29.700 -0.014 0.000 0.741 467 E HN 0.558 nan 8.360 nan 0.000 0.458 468 N N -0.899 117.787 118.700 -0.024 0.000 2.383 468 N HA 0.034 4.774 4.740 -0.000 0.000 0.192 468 N C 0.755 176.271 175.510 0.010 0.000 1.141 468 N CA 0.903 53.949 53.050 -0.007 0.000 0.851 468 N CB 1.364 39.845 38.487 -0.010 0.000 0.976 468 N HN 0.292 nan 8.380 nan 0.000 0.465 469 G N -0.925 107.881 108.800 0.010 0.000 2.211 469 G HA2 -0.179 3.780 3.960 -0.000 0.000 0.201 469 G HA3 -0.179 3.780 3.960 -0.000 0.000 0.201 469 G C 0.501 175.451 174.900 0.083 0.000 0.997 469 G CA -0.289 44.838 45.100 0.046 0.000 0.652 469 G HN 0.553 nan 8.290 nan 0.000 0.500 470 G N -0.212 108.616 108.800 0.046 0.000 2.391 470 G HA2 0.353 4.312 3.960 -0.000 0.000 0.234 470 G HA3 0.353 4.312 3.960 -0.000 0.000 0.234 470 G C -0.327 174.674 174.900 0.168 0.000 1.284 470 G CA 0.186 45.354 45.100 0.113 0.000 0.873 470 G HN 0.763 nan 8.290 nan 0.000 0.549 471 Y N 2.802 123.207 120.300 0.175 0.000 2.434 471 Y HA 0.435 4.985 4.550 -0.000 0.000 0.341 471 Y C -0.166 175.815 175.900 0.135 0.000 0.965 471 Y CA -1.021 57.147 58.100 0.114 0.000 1.205 471 Y CB 1.139 39.656 38.460 0.094 0.000 1.121 471 Y HN 0.441 nan 8.280 nan 0.000 0.507 472 L N 7.816 128.972 121.223 -0.112 0.000 2.257 472 L HA 0.525 4.865 4.340 -0.000 0.000 0.290 472 L C -1.170 175.642 176.870 -0.098 0.000 1.044 472 L CA -0.150 54.673 54.840 -0.028 0.000 0.810 472 L CB 0.318 42.329 42.059 -0.080 0.000 1.193 472 L HN 0.529 nan 8.230 nan 0.000 0.425 473 I N 4.643 125.231 120.570 0.030 0.000 2.339 473 I HA 0.275 4.444 4.170 -0.000 0.000 0.290 473 I C -0.539 175.578 176.117 -0.000 0.000 0.994 473 I CA -0.587 60.724 61.300 0.019 0.000 1.191 473 I CB 1.529 39.582 38.000 0.088 0.000 1.343 473 I HN 0.532 nan 8.210 nan 0.000 0.458 474 D N 6.417 126.796 120.400 -0.035 0.000 2.359 474 D HA 0.146 4.785 4.640 -0.000 0.000 0.230 474 D C 0.648 176.932 176.300 -0.027 0.000 1.118 474 D CA -0.301 53.673 54.000 -0.042 0.000 0.844 474 D CB 1.883 42.628 40.800 -0.091 0.000 1.059 474 D HN 0.385 nan 8.370 nan 0.000 0.493 475 V N 2.104 122.013 119.914 -0.008 0.000 3.577 475 V HA 0.318 4.438 4.120 -0.000 0.000 0.294 475 V C 0.913 177.004 176.094 -0.005 0.000 1.317 475 V CA -0.295 62.002 62.300 -0.005 0.000 1.169 475 V CB -0.690 31.134 31.823 0.002 0.000 1.011 475 V HN 0.256 nan 8.190 nan 0.000 0.426 476 R N 1.190 121.682 120.500 -0.013 0.000 2.637 476 R HA 0.325 4.664 4.340 -0.000 0.000 0.269 476 R C 0.238 176.526 176.300 -0.019 0.000 1.089 476 R CA -0.477 55.616 56.100 -0.012 0.000 1.177 476 R CB 0.494 30.778 30.300 -0.028 0.000 1.091 476 R HN 0.399 nan 8.270 nan 0.000 0.540 477 E N 1.876 122.070 120.200 -0.011 0.000 2.398 477 E HA -0.008 4.341 4.350 -0.000 0.000 0.263 477 E C -1.631 174.956 176.600 -0.022 0.000 1.046 477 E CA -1.435 54.958 56.400 -0.012 0.000 0.908 477 E CB 0.553 30.252 29.700 -0.003 0.000 0.963 477 E HN 0.356 nan 8.360 nan 0.000 0.431 478 P HA -0.173 nan 4.420 nan 0.000 0.217 478 P C 0.464 177.749 177.300 -0.025 0.000 1.148 478 P CA 1.414 64.498 63.100 -0.026 0.000 0.834 478 P CB 0.264 31.953 31.700 -0.018 0.000 0.783 479 N N -0.301 118.390 118.700 -0.015 0.000 2.188 479 N HA -0.136 4.604 4.740 -0.000 0.000 0.184 479 N C 1.446 176.950 175.510 -0.011 0.000 1.018 479 N CA 0.990 54.035 53.050 -0.008 0.000 0.858 479 N CB -0.844 37.643 38.487 0.001 0.000 0.989 479 N HN 0.324 nan 8.380 nan 0.000 0.426 480 E N -0.035 120.154 120.200 -0.018 0.000 2.333 480 E HA -0.102 4.248 4.350 -0.000 0.000 0.198 480 E C 0.945 177.504 176.600 -0.069 0.000 1.007 480 E CA 0.474 56.861 56.400 -0.022 0.000 0.845 480 E CB -0.089 29.601 29.700 -0.017 0.000 0.766 480 E HN 0.289 nan 8.360 nan 0.000 0.507 481 L N 0.719 121.890 121.223 -0.087 0.000 2.395 481 L HA -0.072 4.268 4.340 -0.000 0.000 0.218 481 L C 1.886 178.698 176.870 -0.096 0.000 1.130 481 L CA 1.224 55.977 54.840 -0.145 0.000 0.826 481 L CB -0.050 41.935 42.059 -0.124 0.000 0.941 481 L HN -0.095 nan 8.230 nan 0.000 0.451 482 K N -0.433 119.954 120.400 -0.022 0.000 2.360 482 K HA -0.151 4.169 4.320 -0.000 0.000 0.201 482 K C 1.679 178.347 176.600 0.114 0.000 1.046 482 K CA 0.848 57.162 56.287 0.046 0.000 0.945 482 K CB -0.049 32.475 32.500 0.040 0.000 0.750 482 K HN 0.467 nan 8.250 nan 0.000 0.464 483 Q N -0.011 119.828 119.800 0.065 0.000 2.482 483 Q HA 0.083 4.423 4.340 -0.000 0.000 0.209 483 Q C 0.561 176.616 176.000 0.091 0.000 0.961 483 Q CA 0.258 56.151 55.803 0.150 0.000 0.945 483 Q CB 0.407 29.232 28.738 0.145 0.000 1.012 483 Q HN 0.353 nan 8.270 nan 0.000 0.515 487 K N 3.047 123.400 120.400 -0.077 0.000 2.511 487 K HA 0.249 4.569 4.320 -0.000 0.000 0.280 487 K C 1.120 177.665 176.600 -0.091 0.000 1.008 487 K CA 1.847 58.100 56.287 -0.057 0.000 1.050 487 K CB 0.260 32.755 32.500 -0.008 0.000 0.889 487 K HN 0.975 nan 8.250 nan 0.000 0.484 488 G N 2.028 110.770 108.800 -0.097 0.000 2.195 488 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.246 488 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.246 488 G C -0.096 174.698 174.900 -0.177 0.000 0.984 488 G CA 0.180 45.205 45.100 -0.125 0.000 0.633 488 G HN 0.624 nan 8.290 nan 0.000 0.525 489 S N 0.165 115.767 115.700 -0.164 0.000 2.560 489 S HA 0.544 5.014 4.470 -0.000 0.000 0.284 489 S C 0.126 174.619 174.600 -0.179 0.000 1.327 489 S CA 0.314 58.410 58.200 -0.175 0.000 1.055 489 S CB 1.326 64.431 63.200 -0.159 0.000 0.868 489 S HN 0.415 nan 8.310 nan 0.000 0.506 490 I N 2.847 123.301 120.570 -0.194 0.000 2.433 490 I HA 0.260 4.430 4.170 -0.000 0.000 0.292 490 I C 0.328 176.399 176.117 -0.077 0.000 1.001 490 I CA -0.113 61.102 61.300 -0.142 0.000 1.119 490 I CB 1.552 39.438 38.000 -0.190 0.000 1.289 490 I HN 0.590 nan 8.210 nan 0.000 0.438 491 N N 7.358 126.024 118.700 -0.056 0.000 2.414 491 N HA 0.500 5.239 4.740 -0.000 0.000 0.256 491 N C -1.258 174.242 175.510 -0.018 0.000 1.029 491 N CA -0.256 52.769 53.050 -0.043 0.000 0.948 491 N CB 0.679 39.136 38.487 -0.050 0.000 1.102 491 N HN 0.454 nan 8.380 nan 0.000 0.496 492 I N 4.722 125.284 120.570 -0.013 0.000 2.503 492 I HA 0.283 4.453 4.170 -0.000 0.000 0.282 492 I C -2.465 173.644 176.117 -0.013 0.000 1.059 492 I CA -2.085 59.211 61.300 -0.007 0.000 1.081 492 I CB 2.098 40.099 38.000 0.002 0.000 1.210 492 I HN 0.316 nan 8.210 nan 0.000 0.450 493 P HA 0.063 nan 4.420 nan 0.000 0.268 493 P C 1.112 178.404 177.300 -0.014 0.000 1.204 493 P CA -0.112 62.981 63.100 -0.012 0.000 0.768 493 P CB 1.002 32.695 31.700 -0.010 0.000 0.842 494 L N 2.449 123.665 121.223 -0.012 0.000 2.034 494 L HA -0.309 4.031 4.340 -0.000 0.000 0.217 494 L C 1.230 178.088 176.870 -0.019 0.000 1.077 494 L CA 2.223 57.053 54.840 -0.016 0.000 0.769 494 L CB -0.411 41.642 42.059 -0.010 0.000 0.890 494 L HN 0.393 nan 8.230 nan 0.000 0.435 495 D N -0.323 120.069 120.400 -0.013 0.000 2.117 495 D HA -0.192 4.448 4.640 -0.000 0.000 0.197 495 D C 2.071 178.362 176.300 -0.014 0.000 0.987 495 D CA 1.262 55.254 54.000 -0.013 0.000 0.829 495 D CB -0.004 40.791 40.800 -0.008 0.000 0.961 495 D HN 0.457 nan 8.370 nan 0.000 0.460 496 E N -0.310 119.882 120.200 -0.013 0.000 2.427 496 E HA -0.069 4.281 4.350 -0.000 0.000 0.196 496 E C 1.827 178.416 176.600 -0.018 0.000 1.028 496 E CA -0.122 56.270 56.400 -0.013 0.000 0.864 496 E CB 0.087 29.781 29.700 -0.010 0.000 0.813 496 E HN 0.178 nan 8.360 nan 0.000 0.514 497 L N 1.427 122.635 121.223 -0.025 0.000 2.046 497 L HA -0.182 4.158 4.340 -0.000 0.000 0.208 497 L C 2.327 179.174 176.870 -0.039 0.000 1.077 497 L CA 1.799 56.617 54.840 -0.037 0.000 0.747 497 L CB -0.258 41.773 42.059 -0.048 0.000 0.896 497 L HN -0.087 nan 8.230 nan 0.000 0.432 498 R N -0.572 119.909 120.500 -0.032 0.000 2.096 498 R HA -0.165 4.175 4.340 -0.000 0.000 0.235 498 R C 1.631 177.922 176.300 -0.014 0.000 1.127 498 R CA 1.781 57.867 56.100 -0.024 0.000 0.968 498 R CB -0.246 30.042 30.300 -0.020 0.000 0.861 498 R HN 0.505 nan 8.270 nan 0.000 0.440 499 D N -0.524 119.869 120.400 -0.013 0.000 2.269 499 D HA -0.090 4.550 4.640 -0.000 0.000 0.208 499 D C 0.704 177.001 176.300 -0.006 0.000 0.963 499 D CA 1.025 55.021 54.000 -0.007 0.000 0.864 499 D CB 0.093 40.889 40.800 -0.006 0.000 0.936 499 D HN 0.180 nan 8.370 nan 0.000 0.505 500 R N -0.056 120.437 120.500 -0.011 0.000 2.662 500 R HA 0.338 4.678 4.340 -0.000 0.000 0.396 500 R C 1.155 177.444 176.300 -0.018 0.000 1.096 500 R CA -0.154 55.941 56.100 -0.010 0.000 1.081 500 R CB 0.228 30.523 30.300 -0.008 0.000 1.382 500 R HN 0.093 nan 8.270 nan 0.000 0.580 501 L N 0.859 122.071 121.223 -0.017 0.000 2.187 501 L HA -0.193 4.147 4.340 -0.000 0.000 0.213 501 L C 2.385 179.261 176.870 0.011 0.000 1.100 501 L CA 1.460 56.285 54.840 -0.024 0.000 0.765 501 L CB -0.123 41.947 42.059 0.019 0.000 0.904 501 L HN 0.382 nan 8.230 nan 0.000 0.437 502 E N 0.269 120.481 120.200 0.019 0.000 2.160 502 E HA -0.248 4.102 4.350 -0.000 0.000 0.195 502 E C 1.536 178.143 176.600 0.013 0.000 0.991 502 E CA 1.187 57.603 56.400 0.026 0.000 0.810 502 E CB 0.130 29.840 29.700 0.017 0.000 0.742 502 E HN 0.586 nan 8.360 nan 0.000 0.466 503 E N -0.094 120.105 120.200 -0.000 0.000 2.502 503 E HA 0.001 4.351 4.350 -0.000 0.000 0.194 503 E C -0.223 176.355 176.600 -0.038 0.000 1.062 503 E CA -0.109 56.290 56.400 -0.002 0.000 0.867 503 E CB 0.704 30.415 29.700 0.018 0.000 0.888 503 E HN 0.014 nan 8.360 nan 0.000 0.510 504 V N 3.615 123.488 119.914 -0.069 0.000 2.385 504 V HA 0.161 4.280 4.120 -0.000 0.000 0.269 504 V C -2.158 173.880 176.094 -0.093 0.000 1.043 504 V CA -1.862 60.344 62.300 -0.157 0.000 0.906 504 V CB 0.545 32.183 31.823 -0.308 0.000 0.995 504 V HN -0.012 nan 8.190 nan 0.000 0.467 505 P HA 0.192 nan 4.420 nan 0.000 0.275 505 P C 0.632 177.931 177.300 -0.001 0.000 1.227 505 P CA -0.176 62.824 63.100 -0.167 0.000 0.781 505 P CB 1.015 32.498 31.700 -0.362 0.000 0.906 506 V N 0.677 120.603 119.914 0.021 0.000 3.506 506 V HA -0.042 4.078 4.120 -0.000 0.000 0.263 506 V C 1.176 177.259 176.094 -0.019 0.000 1.203 506 V CA 1.161 63.464 62.300 0.005 0.000 1.133 506 V CB -1.026 30.749 31.823 -0.080 0.000 0.802 506 V HN 0.541 nan 8.190 nan 0.000 0.459 507 D N -0.443 119.943 120.400 -0.024 0.000 2.328 507 D HA 0.111 4.751 4.640 -0.000 0.000 0.221 507 D C 0.446 176.749 176.300 0.005 0.000 1.072 507 D CA 0.121 54.113 54.000 -0.013 0.000 0.850 507 D CB 0.207 40.999 40.800 -0.012 0.000 0.922 507 D HN 0.345 nan 8.370 nan 0.000 0.516 508 K N -0.199 120.203 120.400 0.003 0.000 2.435 508 K HA 0.338 4.658 4.320 -0.000 0.000 0.251 508 K C -1.486 175.157 176.600 0.071 0.000 0.954 508 K CA -0.860 55.455 56.287 0.047 0.000 0.820 508 K CB 1.716 34.242 32.500 0.043 0.000 1.292 508 K HN -0.224 nan 8.250 nan 0.000 0.436 509 D N 2.073 122.549 120.400 0.127 0.000 2.339 509 D HA 0.121 4.761 4.640 -0.000 0.000 0.256 509 D C -0.321 176.058 176.300 0.131 0.000 1.214 509 D CA -0.024 54.037 54.000 0.101 0.000 0.877 509 D CB 0.403 41.328 40.800 0.208 0.000 1.111 509 D HN 0.140 nan 8.370 nan 0.000 0.478 510 I N 3.159 123.713 120.570 -0.027 0.000 2.365 510 I HA 0.206 4.376 4.170 -0.000 0.000 0.291 510 I C -0.339 175.671 176.117 -0.179 0.000 1.004 510 I CA -0.565 60.754 61.300 0.033 0.000 1.311 510 I CB -0.083 37.917 38.000 -0.000 0.000 1.401 510 I HN 0.304 nan 8.210 nan 0.000 0.491 511 Y N 5.505 125.862 120.300 0.096 0.000 2.376 511 Y HA 0.538 5.088 4.550 -0.000 0.000 0.340 511 Y C 0.187 176.115 175.900 0.047 0.000 0.965 511 Y CA -0.758 57.378 58.100 0.061 0.000 1.078 511 Y CB 1.980 40.465 38.460 0.043 0.000 1.193 511 Y HN 0.263 nan 8.280 nan 0.000 0.452 512 I N 2.493 123.150 120.570 0.145 0.000 2.474 512 I HA 0.421 4.591 4.170 -0.000 0.000 0.294 512 I C -0.155 176.025 176.117 0.104 0.000 1.005 512 I CA -0.460 60.897 61.300 0.095 0.000 1.113 512 I CB 1.900 39.934 38.000 0.056 0.000 1.289 512 I HN 0.538 nan 8.210 nan 0.000 0.436 513 T N 5.168 119.768 114.554 0.076 0.000 2.893 513 T HA 0.661 5.011 4.350 -0.000 0.000 0.293 513 T C -0.262 174.479 174.700 0.070 0.000 1.027 513 T CA -0.325 61.824 62.100 0.081 0.000 0.988 513 T CB 1.058 69.964 68.868 0.062 0.000 1.043 513 T HN 0.912 nan 8.240 nan 0.000 0.461 514 C N 3.281 122.639 119.300 0.097 0.000 3.680 514 C HA 0.695 5.155 4.460 -0.000 0.000 0.341 514 C C 1.626 176.699 174.990 0.137 0.000 3.788 514 C CA -0.361 58.710 59.018 0.088 0.000 1.552 514 C CB 0.601 28.388 27.740 0.079 0.000 4.276 514 C HN 0.761 nan 8.230 nan 0.000 0.531 515 Q N -0.116 119.762 119.800 0.130 0.000 2.049 515 Q HA 0.264 4.604 4.340 -0.000 0.000 0.198 515 Q C 1.464 177.561 176.000 0.161 0.000 0.971 515 Q CA 2.093 57.998 55.803 0.171 0.000 0.833 515 Q CB -0.258 28.560 28.738 0.133 0.000 0.896 515 Q HN 0.793 nan 8.270 nan 0.000 0.434 516 L N -1.920 119.381 121.223 0.129 0.000 2.781 516 L HA 0.481 4.820 4.340 -0.000 0.000 0.245 516 L C 0.688 177.634 176.870 0.126 0.000 1.118 516 L CA 0.026 54.938 54.840 0.119 0.000 0.918 516 L CB 0.836 42.954 42.059 0.098 0.000 1.246 516 L HN 0.314 nan 8.230 nan 0.000 0.526 520 G N 0.766 109.626 108.800 0.100 0.000 2.418 520 G HA2 -0.349 3.611 3.960 -0.000 0.000 0.217 520 G HA3 -0.349 3.611 3.960 -0.000 0.000 0.217 520 G C 1.097 176.071 174.900 0.124 0.000 1.158 520 G CA 1.344 46.504 45.100 0.100 0.000 0.771 520 G HN 0.306 nan 8.290 nan 0.000 0.545 521 Y N 1.423 121.751 120.300 0.048 0.000 2.145 521 Y HA -0.131 4.419 4.550 -0.000 0.000 0.286 521 Y C 2.733 178.647 175.900 0.024 0.000 1.145 521 Y CA 1.666 59.793 58.100 0.045 0.000 1.148 521 Y CB -0.543 37.949 38.460 0.053 0.000 0.981 521 Y HN 0.031 nan 8.280 nan 0.000 0.507 522 V N 0.958 120.717 119.914 -0.259 0.000 2.343 522 V HA -0.334 3.786 4.120 -0.000 0.000 0.247 522 V C 2.775 178.737 176.094 -0.220 0.000 1.051 522 V CA 1.917 64.010 62.300 -0.344 0.000 1.036 522 V CB -1.708 30.028 31.823 -0.145 0.000 0.654 522 V HN 0.603 nan 8.190 nan 0.000 0.451 523 A N 0.010 122.762 122.820 -0.112 0.000 1.902 523 A HA -0.147 4.173 4.320 -0.000 0.000 0.217 523 A C 2.451 179.980 177.584 -0.092 0.000 1.181 523 A CA 2.183 54.169 52.037 -0.085 0.000 0.623 523 A CB -0.839 18.134 19.000 -0.044 0.000 0.818 523 A HN 0.584 nan 8.150 nan 0.000 0.443 524 A N -0.286 122.490 122.820 -0.073 0.000 1.883 524 A HA -0.090 4.230 4.320 -0.000 0.000 0.217 524 A C 1.706 179.250 177.584 -0.065 0.000 1.186 524 A CA 0.962 52.975 52.037 -0.040 0.000 0.624 524 A CB -0.403 18.622 19.000 0.042 0.000 0.822 524 A HN 0.429 nan 8.150 nan 0.000 0.444 530 K N 1.089 121.555 120.400 0.110 0.000 2.505 530 K HA 0.231 4.551 4.320 -0.000 0.000 0.192 530 K C 1.048 177.657 176.600 0.014 0.000 1.025 530 K CA 0.765 57.123 56.287 0.118 0.000 1.086 530 K CB 0.595 33.256 32.500 0.269 0.000 0.840 530 K HN 0.311 nan 8.250 nan 0.000 0.514 531 G N 1.283 110.092 108.800 0.015 0.000 2.136 531 G HA2 -0.281 3.678 3.960 -0.000 0.000 0.242 531 G HA3 -0.281 3.678 3.960 -0.000 0.000 0.242 531 G C -0.257 174.553 174.900 -0.150 0.000 0.989 531 G CA -0.098 44.953 45.100 -0.081 0.000 0.682 531 G HN 0.261 nan 8.290 nan 0.000 0.522 532 Y N 0.012 120.295 120.300 -0.028 0.000 2.300 532 Y HA 0.533 5.083 4.550 -0.000 0.000 0.328 532 Y C 0.997 176.872 175.900 -0.041 0.000 1.270 532 Y CA -0.297 57.780 58.100 -0.038 0.000 1.352 532 Y CB 0.820 39.254 38.460 -0.043 0.000 1.286 532 Y HN 0.045 nan 8.280 nan 0.000 0.536 533 K N 2.306 122.770 120.400 0.106 0.000 2.281 533 K HA 0.565 4.885 4.320 -0.000 0.000 0.272 533 K C -1.737 174.852 176.600 -0.018 0.000 1.048 533 K CA -0.360 55.942 56.287 0.025 0.000 0.898 533 K CB 0.851 33.347 32.500 -0.006 0.000 1.128 533 K HN 0.572 nan 8.250 nan 0.000 0.460 534 V N 4.326 124.213 119.914 -0.045 0.000 2.925 534 V HA 0.525 4.645 4.120 -0.000 0.000 0.311 534 V C -1.604 174.406 176.094 -0.140 0.000 1.104 534 V CA -0.745 61.489 62.300 -0.110 0.000 0.954 534 V CB 2.209 34.007 31.823 -0.043 0.000 1.022 534 V HN 0.799 nan 8.190 nan 0.000 0.427 535 K N 3.443 123.699 120.400 -0.240 0.000 2.426 535 K HA 0.498 4.817 4.320 -0.000 0.000 0.251 535 K C -1.235 175.368 176.600 0.006 0.000 0.941 535 K CA -0.866 55.347 56.287 -0.123 0.000 0.808 535 K CB 2.123 34.510 32.500 -0.189 0.000 1.265 535 K HN 0.648 nan 8.250 nan 0.000 0.432 536 N N 0.747 119.504 118.700 0.096 0.000 2.443 536 N HA 0.200 4.940 4.740 -0.000 0.000 0.295 536 N C -1.134 174.476 175.510 0.167 0.000 1.076 536 N CA -0.548 52.586 53.050 0.141 0.000 0.919 536 N CB 1.377 39.968 38.487 0.174 0.000 1.176 536 N HN 0.234 nan 8.380 nan 0.000 0.487 537 V N 2.827 122.841 119.914 0.167 0.000 2.356 537 V HA 0.069 4.189 4.120 -0.000 0.000 0.258 537 V C 0.190 176.384 176.094 0.167 0.000 1.065 537 V CA -0.726 61.672 62.300 0.163 0.000 0.935 537 V CB 0.095 32.003 31.823 0.142 0.000 1.061 537 V HN 0.699 nan 8.190 nan 0.000 0.484 538 D N 4.454 124.960 120.400 0.177 0.000 2.487 538 D HA 0.321 4.961 4.640 -0.000 0.000 0.243 538 D C 1.291 177.703 176.300 0.187 0.000 1.154 538 D CA 1.818 55.943 54.000 0.209 0.000 0.876 538 D CB 0.737 41.696 40.800 0.265 0.000 1.161 538 D HN 0.849 nan 8.370 nan 0.000 0.478 539 G N 2.171 111.078 108.800 0.178 0.000 2.225 539 G HA2 -0.096 3.863 3.960 -0.000 0.000 0.254 539 G HA3 -0.096 3.863 3.960 -0.000 0.000 0.254 539 G C 0.999 175.974 174.900 0.125 0.000 0.988 539 G CA 0.400 45.576 45.100 0.126 0.000 0.625 539 G HN 1.632 nan 8.290 nan 0.000 0.527 540 G N -0.854 108.035 108.800 0.148 0.000 2.641 540 G HA2 -0.011 3.948 3.960 -0.000 0.000 0.254 540 G HA3 -0.011 3.948 3.960 -0.000 0.000 0.254 540 G C 0.592 175.603 174.900 0.185 0.000 1.315 540 G CA 0.597 45.795 45.100 0.163 0.000 0.907 540 G HN 1.501 nan 8.290 nan 0.000 0.572 541 F N 1.435 121.426 119.950 0.068 0.000 2.259 541 F HA 0.093 4.620 4.527 -0.000 0.000 0.298 541 F C 2.589 178.449 175.800 0.101 0.000 1.088 541 F CA 2.194 60.236 58.000 0.070 0.000 1.358 541 F CB -0.247 38.760 39.000 0.012 0.000 1.040 541 F HN 0.571 nan 8.300 nan 0.000 0.505 542 K N 0.884 121.302 120.400 0.031 0.000 2.015 542 K HA -0.245 4.074 4.320 -0.000 0.000 0.216 542 K C 1.987 178.507 176.600 -0.134 0.000 1.052 542 K CA 2.205 58.473 56.287 -0.032 0.000 0.937 542 K CB -1.157 31.405 32.500 0.103 0.000 0.719 542 K HN 0.338 nan 8.250 nan 0.000 0.446 543 L N 0.098 121.292 121.223 -0.049 0.000 1.989 543 L HA -0.155 4.185 4.340 -0.000 0.000 0.211 543 L C 2.210 178.906 176.870 -0.290 0.000 1.071 543 L CA 2.094 56.857 54.840 -0.128 0.000 0.749 543 L CB -1.131 40.871 42.059 -0.095 0.000 0.890 543 L HN 0.445 nan 8.230 nan 0.000 0.431 544 Y N 0.109 120.235 120.300 -0.289 0.000 2.102 544 Y HA -0.258 4.292 4.550 -0.000 0.000 0.280 544 Y C 2.208 177.860 175.900 -0.413 0.000 1.178 544 Y CA 2.264 60.212 58.100 -0.252 0.000 1.146 544 Y CB -0.721 37.663 38.460 -0.127 0.000 0.968 544 Y HN 0.260 nan 8.280 nan 0.000 0.504 545 G N -2.224 106.246 108.800 -0.549 0.000 2.484 545 G HA2 -0.136 3.824 3.960 -0.000 0.000 0.218 545 G HA3 -0.136 3.824 3.960 -0.000 0.000 0.218 545 G C 1.507 176.150 174.900 -0.427 0.000 1.130 545 G CA 1.138 45.893 45.100 -0.575 0.000 0.784 545 G HN 0.431 nan 8.290 nan 0.000 0.543 546 T N -0.127 114.132 114.554 -0.491 0.000 2.937 546 T HA -0.013 4.337 4.350 -0.000 0.000 0.260 546 T C 2.257 176.619 174.700 -0.563 0.000 1.051 546 T CA 0.973 62.744 62.100 -0.549 0.000 1.141 546 T CB 0.105 68.448 68.868 -0.875 0.000 0.879 546 T HN 0.075 nan 8.240 nan 0.000 0.459 547 V N 0.322 119.857 119.914 -0.632 0.000 2.992 547 V HA 0.366 4.486 4.120 -0.000 0.000 0.250 547 V C 0.491 176.322 176.094 -0.438 0.000 1.090 547 V CA 0.840 62.739 62.300 -0.669 0.000 1.101 547 V CB 0.017 31.186 31.823 -1.089 0.000 0.743 547 V HN 0.394 nan 8.190 nan 0.000 0.468 548 L N 2.040 122.988 121.223 -0.459 0.000 2.783 548 L HA 0.353 4.693 4.340 -0.000 0.000 0.265 548 L C -1.674 175.050 176.870 -0.244 0.000 1.398 548 L CA -0.902 53.739 54.840 -0.332 0.000 0.802 548 L CB 1.264 43.041 42.059 -0.471 0.000 1.126 548 L HN 0.160 nan 8.230 nan 0.000 0.529 549 P HA -0.200 nan 4.420 nan 0.000 0.218 549 P C 1.179 178.495 177.300 0.028 0.000 1.149 549 P CA 1.184 64.247 63.100 -0.062 0.000 0.817 549 P CB 0.227 31.899 31.700 -0.047 0.000 0.785 550 E N 1.046 121.258 120.200 0.021 0.000 2.401 550 E HA -0.169 4.181 4.350 -0.000 0.000 0.199 550 E C 1.457 178.104 176.600 0.079 0.000 1.023 550 E CA 0.863 57.298 56.400 0.059 0.000 0.859 550 E CB -0.488 29.240 29.700 0.047 0.000 0.780 550 E HN 0.311 nan 8.360 nan 0.000 0.523 551 R N 0.311 120.857 120.500 0.077 0.000 2.362 551 R HA 0.360 4.700 4.340 -0.000 0.000 0.227 551 R C 0.501 176.917 176.300 0.194 0.000 0.905 551 R CA -0.250 55.933 56.100 0.138 0.000 1.067 551 R CB 0.439 30.842 30.300 0.170 0.000 1.078 551 R HN 0.140 nan 8.270 nan 0.000 0.516 552 I N 1.964 122.623 120.570 0.147 0.000 2.533 552 I HA 0.000 4.170 4.170 -0.000 0.000 0.284 552 I C 0.090 176.153 176.117 -0.090 0.000 1.109 552 I CA -0.033 61.307 61.300 0.067 0.000 1.412 552 I CB 1.131 39.084 38.000 -0.078 0.000 1.396 552 I HN -0.254 nan 8.210 nan 0.000 0.543 553 V N 7.889 127.732 119.914 -0.117 0.000 2.370 553 V HA 0.265 4.385 4.120 -0.000 0.000 0.279 553 V C -0.239 175.729 176.094 -0.210 0.000 1.029 553 V CA -0.375 61.869 62.300 -0.093 0.000 0.870 553 V CB 0.784 32.582 31.823 -0.041 0.000 0.984 553 V HN 0.426 nan 8.190 nan 0.000 0.451 554 Y N 0.000 120.314 120.300 0.023 0.000 2.660 554 Y HA 0.000 4.550 4.550 -0.000 0.000 0.201 554 Y CA 0.000 58.102 58.100 0.004 0.000 1.940 554 Y CB 0.000 38.473 38.460 0.021 0.000 1.050 554 Y HN 0.000 nan 8.280 nan 0.000 0.758