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 1e5x_1_B DATA FIRST_RESID 17 DATA SEQUENCE PHRTEDNIRD EXXXXXXXXV NPFSAKYVPF NAAPGSTESY SLDEIVXXXX DATA SEQUENCE XXGLLDVEHD XEALKRFDGA YWRDLFDSRV GKSTWPYGSG VWSKKEWVLP DATA SEQUENCE EIDDDDIVSA FEGNSNLFWA ERFGKQFLGX NDLWVKHCGI SHTGSFKDLG DATA SEQUENCE XTVLVSQVNR LRKXKRPVVG VGCASTGDTS AALSAYCASA GIPSIVFLPA DATA SEQUENCE NKISXAQLVQ PIANGAFVLS IDTDFDGCXK LIREITAELP IYLANSLNSL DATA SEQUENCE RLEGQKTAAI EILQQFDWQV PDWVIVPGGN LGNIYAFYKG FKXCQELGLV DATA SEQUENCE DRIPRXVCAQ AANANPLYLH YKSGWKDFKP XXXXXXXXXX XXXXXXVSID DATA SEQUENCE RAVYALKKCN GIVEEATEEE LXDAXAQADS TGXFICPHTG VALTALFKLR DATA SEQUENCE NQGVIAPTDR TVVVSTAHGL KFTQSKIDYH SNAIPDXACR FSNPPVDVKA DATA SEQUENCE DFGAVXDVLK SYL 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 17 P HA 0.000 nan 4.420 nan 0.000 0.216 17 P C 0.000 177.440 177.300 0.233 0.000 1.155 17 P CA 0.000 63.173 63.100 0.121 0.000 0.800 17 P CB 0.000 31.775 31.700 0.125 0.000 0.726 18 H N 2.278 121.334 119.070 -0.024 0.000 2.472 18 H HA 0.553 4.533 4.556 -0.959 0.000 0.335 18 H C 0.993 176.297 175.328 -0.039 0.000 1.136 18 H CA -0.205 55.824 56.048 -0.031 0.000 1.264 18 H CB 1.440 31.191 29.762 -0.018 0.000 1.486 18 H HN 0.234 nan 8.280 nan 0.000 0.517 19 R N 0.196 120.684 120.500 -0.020 0.000 2.607 19 R HA 0.238 4.003 4.340 -0.958 0.000 0.261 19 R C 0.555 176.829 176.300 -0.043 0.000 1.051 19 R CA -0.168 55.892 56.100 -0.067 0.000 1.110 19 R CB 0.170 30.370 30.300 -0.166 0.000 1.158 19 R HN 0.685 nan 8.270 nan 0.000 0.543 20 T N -2.221 112.309 114.554 -0.040 0.000 2.929 20 T HA -0.117 3.658 4.350 -0.958 0.000 0.271 20 T C 1.252 175.961 174.700 0.015 0.000 1.085 20 T CA 1.446 63.576 62.100 0.050 0.000 1.125 20 T CB -0.251 68.720 68.868 0.171 0.000 0.874 20 T HN 0.710 nan 8.240 nan 0.000 0.494 21 E N 1.074 121.146 120.200 -0.212 0.000 2.107 21 E HA -0.101 3.674 4.350 -0.958 0.000 0.191 21 E C 1.903 178.443 176.600 -0.100 0.000 0.982 21 E CA 1.163 57.394 56.400 -0.283 0.000 0.809 21 E CB -0.041 29.336 29.700 -0.539 0.000 0.756 21 E HN 0.606 nan 8.360 nan 0.000 0.459 22 D N 0.712 121.051 120.400 -0.103 0.000 2.103 22 D HA -0.131 3.934 4.640 -0.958 0.000 0.199 22 D C 1.702 178.046 176.300 0.074 0.000 0.978 22 D CA 0.555 54.520 54.000 -0.058 0.000 0.829 22 D CB -0.415 40.262 40.800 -0.206 0.000 0.981 22 D HN 0.038 nan 8.370 nan 0.000 0.464 23 N N 1.184 119.945 118.700 0.102 0.000 2.132 23 N HA -0.150 4.015 4.740 -0.958 0.000 0.191 23 N C 2.037 177.618 175.510 0.120 0.000 1.015 23 N CA 0.954 54.079 53.050 0.125 0.000 0.864 23 N CB -0.021 38.539 38.487 0.121 0.000 1.006 23 N HN 0.409 nan 8.380 nan 0.000 0.430 24 I N -2.279 118.366 120.570 0.125 0.000 3.427 24 I HA 0.153 3.748 4.170 -0.958 0.000 0.288 24 I C 2.116 178.302 176.117 0.114 0.000 1.249 24 I CA 0.267 61.649 61.300 0.137 0.000 1.421 24 I CB -0.135 37.966 38.000 0.168 0.000 1.086 24 I HN -0.157 nan 8.210 nan 0.000 0.448 25 R N 1.394 121.946 120.500 0.087 0.000 2.241 25 R HA -0.120 3.645 4.340 -0.958 0.000 0.224 25 R C 0.526 176.868 176.300 0.071 0.000 1.101 25 R CA 1.336 57.476 56.100 0.066 0.000 0.995 25 R CB -0.201 30.117 30.300 0.030 0.000 0.870 25 R HN 0.395 nan 8.270 nan 0.000 0.463 26 D N 0.925 121.374 120.400 0.082 0.000 2.324 26 D HA 0.012 4.077 4.640 -0.958 0.000 0.235 26 D C -0.265 176.082 176.300 0.079 0.000 1.095 26 D CA 0.386 54.432 54.000 0.077 0.000 0.871 26 D CB 0.161 41.010 40.800 0.081 0.000 0.906 26 D HN 0.109 nan 8.370 nan 0.000 0.522 37 N N 5.958 124.654 118.700 -0.008 0.000 2.402 37 N HA 0.351 4.516 4.740 -0.958 0.000 0.252 37 N C -0.864 174.585 175.510 -0.102 0.000 1.118 37 N CA -1.636 51.397 53.050 -0.030 0.000 0.945 37 N CB 1.628 40.152 38.487 0.061 0.000 1.147 37 N HN 0.511 nan 8.380 nan 0.000 0.495 38 P HA 0.027 nan 4.420 nan 0.000 0.229 38 P C -0.432 176.726 177.300 -0.237 0.000 1.160 38 P CA 0.560 63.460 63.100 -0.333 0.000 0.777 38 P CB 0.150 31.561 31.700 -0.481 0.000 0.814 39 F N 1.272 121.329 119.950 0.179 0.000 2.399 39 F HA 0.507 4.496 4.527 -0.898 0.000 0.328 39 F C 1.209 177.106 175.800 0.163 0.000 1.084 39 F CA -0.772 57.344 58.000 0.194 0.000 1.053 39 F CB 1.120 40.270 39.000 0.250 0.000 1.209 39 F HN -0.097 nan 8.300 nan 0.000 0.502 40 S N 0.319 116.236 115.700 0.362 0.000 2.587 40 S HA 0.944 4.839 4.470 -0.958 0.000 0.269 40 S C -1.379 173.303 174.600 0.136 0.000 1.154 40 S CA -0.644 57.681 58.200 0.208 0.000 0.824 40 S CB 1.561 64.820 63.200 0.098 0.000 1.118 40 S HN 1.263 nan 8.310 nan 0.000 0.462 41 A N 0.814 123.635 122.820 0.001 0.000 2.587 41 A HA 0.969 4.714 4.320 -0.958 0.000 0.293 41 A C -1.259 175.947 177.584 -0.631 0.000 1.087 41 A CA -0.878 51.046 52.037 -0.187 0.000 0.692 41 A CB 1.702 20.543 19.000 -0.265 0.000 1.291 41 A HN 1.335 nan 8.150 nan 0.000 0.407 42 K N -0.003 120.019 120.400 -0.631 0.000 2.555 42 K HA 0.604 4.349 4.320 -0.958 0.000 0.279 42 K C -1.780 174.606 176.600 -0.356 0.000 0.986 42 K CA -0.801 54.947 56.287 -0.898 0.000 0.880 42 K CB 0.886 33.134 32.500 -0.419 0.000 1.474 42 K HN 0.446 nan 8.250 nan 0.000 0.433 43 Y N 0.355 120.588 120.300 -0.112 0.000 2.411 43 Y HA 0.386 4.365 4.550 -0.952 0.000 0.333 43 Y C 0.191 176.101 175.900 0.018 0.000 1.186 43 Y CA -0.127 58.028 58.100 0.090 0.000 1.381 43 Y CB 1.388 39.910 38.460 0.103 0.000 1.273 43 Y HN 0.288 nan 8.280 nan 0.000 0.546 44 V N 4.809 124.859 119.914 0.226 0.000 3.012 44 V HA 0.379 3.924 4.120 -0.958 0.000 0.307 44 V C -2.372 173.789 176.094 0.112 0.000 1.166 44 V CA -2.321 60.049 62.300 0.117 0.000 0.974 44 V CB 2.794 34.661 31.823 0.073 0.000 1.040 44 V HN 0.586 nan 8.190 nan 0.000 0.428 45 P HA 0.037 nan 4.420 nan 0.000 0.264 45 P C -0.531 176.796 177.300 0.045 0.000 1.193 45 P CA 0.007 63.137 63.100 0.050 0.000 0.763 45 P CB 0.281 31.986 31.700 0.008 0.000 0.810 46 F N 4.439 124.358 119.950 -0.052 0.000 2.590 46 F HA 0.035 3.980 4.527 -0.969 0.000 0.389 46 F C 0.956 176.663 175.800 -0.155 0.000 1.049 46 F CA 0.142 58.073 58.000 -0.114 0.000 1.199 46 F CB -0.787 38.114 39.000 -0.165 0.000 1.058 46 F HN 0.470 nan 8.300 nan 0.000 0.556 47 N N 3.934 122.014 118.700 -1.034 0.000 2.607 47 N HA -0.174 3.991 4.740 -0.958 0.000 0.285 47 N C -1.324 173.916 175.510 -0.450 0.000 1.151 47 N CA 0.894 53.382 53.050 -0.937 0.000 0.749 47 N CB -0.813 36.705 38.487 -1.615 0.000 0.923 47 N HN 1.013 nan 8.380 nan 0.000 0.552 48 A N 1.071 123.744 122.820 -0.245 0.000 2.548 48 A HA 0.981 4.726 4.320 -0.958 0.000 0.262 48 A C 0.204 177.738 177.584 -0.084 0.000 1.271 48 A CA -0.077 51.879 52.037 -0.135 0.000 0.839 48 A CB 0.592 19.539 19.000 -0.089 0.000 1.381 48 A HN 0.905 nan 8.150 nan 0.000 0.468 49 A N -0.628 122.160 122.820 -0.053 0.000 2.621 49 A HA 0.656 4.401 4.320 -0.958 0.000 0.267 49 A C -1.651 175.918 177.584 -0.025 0.000 1.506 49 A CA -0.802 51.215 52.037 -0.033 0.000 0.873 49 A CB -1.266 17.720 19.000 -0.024 0.000 1.577 49 A HN 0.471 nan 8.150 nan 0.000 0.536 50 P HA -0.011 nan 4.420 nan 0.000 0.229 50 P C 1.078 178.371 177.300 -0.011 0.000 1.147 50 P CA 1.249 64.342 63.100 -0.011 0.000 0.766 50 P CB -0.489 31.207 31.700 -0.007 0.000 0.775 51 G N 0.165 108.956 108.800 -0.015 0.000 2.390 51 G HA2 -0.247 3.138 3.960 -0.958 0.000 1.024 51 G HA3 -0.247 3.138 3.960 -0.958 0.000 1.024 51 G C 0.663 175.559 174.900 -0.006 0.000 1.408 51 G CA 0.592 45.684 45.100 -0.012 0.000 0.850 51 G HN 0.428 nan 8.290 nan 0.000 0.537 52 S N -2.832 112.866 115.700 -0.002 0.000 2.623 52 S HA 0.778 4.673 4.470 -0.958 0.000 0.287 52 S C 0.077 174.682 174.600 0.008 0.000 1.123 52 S CA 0.556 58.758 58.200 0.002 0.000 1.016 52 S CB 1.921 65.123 63.200 0.004 0.000 1.233 52 S HN 1.960 nan 8.310 nan 0.000 0.512 53 T N -0.018 114.544 114.554 0.013 0.000 3.289 53 T HA 0.406 4.181 4.350 -0.958 0.000 0.370 53 T C -2.354 172.362 174.700 0.026 0.000 1.546 53 T CA -0.699 61.411 62.100 0.018 0.000 1.144 53 T CB 1.244 70.107 68.868 -0.009 0.000 1.379 53 T HN 0.711 nan 8.240 nan 0.000 0.478 54 E N 1.895 122.135 120.200 0.067 0.000 2.320 54 E HA 0.637 4.412 4.350 -0.958 0.000 0.264 54 E C -0.559 176.073 176.600 0.053 0.000 0.923 54 E CA -0.972 55.486 56.400 0.096 0.000 0.796 54 E CB 1.888 31.690 29.700 0.170 0.000 1.262 54 E HN 0.510 nan 8.360 nan 0.000 0.428 55 S N -0.434 115.295 115.700 0.049 0.000 2.617 55 S HA 0.259 4.154 4.470 -0.958 0.000 0.283 55 S C 0.145 174.774 174.600 0.047 0.000 1.189 55 S CA -0.442 57.706 58.200 -0.088 0.000 1.036 55 S CB 0.239 63.415 63.200 -0.040 0.000 1.014 55 S HN 0.423 nan 8.310 nan 0.000 0.522 56 Y N 2.017 122.269 120.300 -0.079 0.000 2.509 56 Y HA 0.047 4.014 4.550 -0.972 0.000 0.293 56 Y C 2.644 178.589 175.900 0.076 0.000 1.133 56 Y CA 0.463 58.498 58.100 -0.108 0.000 1.283 56 Y CB -0.934 37.395 38.460 -0.218 0.000 1.001 56 Y HN 0.539 nan 8.280 nan 0.000 0.555 57 S N -0.392 115.425 115.700 0.193 0.000 2.428 57 S HA -0.010 3.885 4.470 -0.958 0.000 0.230 57 S C 0.789 175.477 174.600 0.147 0.000 1.014 57 S CA 0.270 58.563 58.200 0.154 0.000 0.957 57 S CB -0.249 63.012 63.200 0.103 0.000 0.784 57 S HN 0.042 nan 8.310 nan 0.000 0.499 58 L N 1.992 123.312 121.223 0.161 0.000 2.456 58 L HA 0.233 3.998 4.340 -0.958 0.000 0.257 58 L C 0.721 177.641 176.870 0.083 0.000 1.162 58 L CA 0.423 55.330 54.840 0.112 0.000 0.808 58 L CB 0.301 42.420 42.059 0.101 0.000 1.136 58 L HN -0.013 nan 8.230 nan 0.000 0.466 59 D N 0.101 120.478 120.400 -0.038 0.000 2.643 59 D HA 0.070 4.135 4.640 -0.958 0.000 0.244 59 D C -0.125 176.063 176.300 -0.187 0.000 1.257 59 D CA -0.153 53.742 54.000 -0.176 0.000 0.831 59 D CB 0.327 40.942 40.800 -0.309 0.000 1.043 59 D HN 0.454 nan 8.370 nan 0.000 0.488 60 E N 0.407 120.500 120.200 -0.179 0.000 2.458 60 E HA 0.013 3.788 4.350 -0.958 0.000 0.264 60 E C 1.283 177.697 176.600 -0.309 0.000 1.097 60 E CA 0.449 56.719 56.400 -0.217 0.000 0.973 60 E CB 1.516 31.083 29.700 -0.222 0.000 0.963 60 E HN 0.264 nan 8.360 nan 0.000 0.451 61 I N -0.416 120.024 120.570 -0.215 0.000 4.864 61 I HA 0.054 3.649 4.170 -0.958 0.000 0.337 61 I C -0.024 176.013 176.117 -0.134 0.000 1.283 61 I CA 0.125 61.312 61.300 -0.188 0.000 1.350 61 I CB 0.808 38.734 38.000 -0.123 0.000 1.412 61 I HN 0.100 nan 8.210 nan 0.000 0.487 70 L N 1.592 122.838 121.223 0.039 0.000 2.461 70 L HA 0.394 4.159 4.340 -0.958 0.000 0.272 70 L C 0.566 177.472 176.870 0.061 0.000 1.197 70 L CA -0.354 54.493 54.840 0.013 0.000 0.836 70 L CB 0.621 42.646 42.059 -0.058 0.000 1.105 70 L HN 0.326 nan 8.230 nan 0.000 0.477 71 L N 1.544 122.782 121.223 0.025 0.000 2.360 71 L HA 0.457 4.222 4.340 -0.958 0.000 0.271 71 L C -0.620 176.348 176.870 0.163 0.000 1.057 71 L CA -0.333 54.552 54.840 0.076 0.000 0.803 71 L CB 1.664 43.697 42.059 -0.044 0.000 1.207 71 L HN 0.562 nan 8.230 nan 0.000 0.445 72 D N 0.009 120.561 120.400 0.254 0.000 2.732 72 D HA 0.403 4.468 4.640 -0.958 0.000 0.229 72 D C -1.253 175.233 176.300 0.311 0.000 1.152 72 D CA -0.308 53.867 54.000 0.292 0.000 0.854 72 D CB 2.579 43.586 40.800 0.344 0.000 1.590 72 D HN 0.032 nan 8.370 nan 0.000 0.468 73 V N 2.672 122.740 119.914 0.256 0.000 2.432 73 V HA 0.287 3.832 4.120 -0.958 0.000 0.271 73 V C 0.027 176.174 176.094 0.089 0.000 1.046 73 V CA -0.200 62.199 62.300 0.165 0.000 0.945 73 V CB 1.201 33.033 31.823 0.015 0.000 0.992 73 V HN 0.493 nan 8.190 nan 0.000 0.471 74 E N 4.519 124.730 120.200 0.018 0.000 2.176 74 E HA 0.371 4.146 4.350 -0.958 0.000 0.267 74 E C -0.906 175.608 176.600 -0.144 0.000 0.893 74 E CA -0.699 55.695 56.400 -0.011 0.000 0.761 74 E CB 0.889 30.602 29.700 0.022 0.000 1.133 74 E HN 0.744 nan 8.360 nan 0.000 0.409 75 H N 2.384 121.464 119.070 0.016 0.000 2.482 75 H HA 0.088 4.192 4.556 -0.753 0.000 0.344 75 H C -0.116 175.209 175.328 -0.005 0.000 1.151 75 H CA -0.528 55.522 56.048 0.003 0.000 1.300 75 H CB 1.471 31.187 29.762 -0.077 0.000 1.494 75 H HN 0.633 nan 8.280 nan 0.000 0.542 79 A N 2.160 125.110 122.820 0.217 0.000 1.902 79 A HA -0.026 3.718 4.320 -0.958 0.000 0.217 79 A C 2.196 180.142 177.584 0.603 0.000 1.181 79 A CA 1.557 53.805 52.037 0.351 0.000 0.623 79 A CB -0.718 18.517 19.000 0.391 0.000 0.818 79 A HN 0.290 nan 8.150 nan 0.000 0.443 80 L N -0.890 120.639 121.223 0.509 0.000 2.093 80 L HA -0.152 3.613 4.340 -0.958 0.000 0.208 80 L C 2.329 179.544 176.870 0.575 0.000 1.085 80 L CA 1.445 56.599 54.840 0.523 0.000 0.755 80 L CB -0.387 41.638 42.059 -0.057 0.000 0.904 80 L HN 0.315 nan 8.230 nan 0.000 0.435 81 K N -0.044 120.542 120.400 0.310 0.000 2.504 81 K HA -0.061 3.684 4.320 -0.958 0.000 0.195 81 K C 1.922 178.639 176.600 0.195 0.000 1.036 81 K CA 0.413 56.842 56.287 0.236 0.000 0.984 81 K CB 0.010 32.574 32.500 0.107 0.000 0.788 81 K HN 0.274 nan 8.250 nan 0.000 0.488 82 R N -0.075 120.546 120.500 0.201 0.000 2.328 82 R HA -0.002 3.763 4.340 -0.958 0.000 0.207 82 R C -0.239 175.801 176.300 -0.434 0.000 1.056 82 R CA 0.590 56.624 56.100 -0.110 0.000 1.016 82 R CB 0.085 30.280 30.300 -0.175 0.000 0.872 82 R HN -0.008 nan 8.270 nan 0.000 0.471 83 F N 0.892 120.857 119.950 0.026 0.000 2.482 83 F HA 0.141 4.093 4.527 -0.959 0.000 0.331 83 F C 0.283 176.065 175.800 -0.028 0.000 1.115 83 F CA -2.024 55.824 58.000 -0.255 0.000 0.955 83 F CB 1.163 39.713 39.000 -0.749 0.000 1.136 83 F HN -0.032 nan 8.300 nan 0.000 0.452 84 D N 0.938 121.371 120.400 0.056 0.000 2.393 84 D HA 0.223 4.288 4.640 -0.958 0.000 0.246 84 D C 1.454 177.885 176.300 0.219 0.000 1.275 84 D CA -0.271 53.804 54.000 0.126 0.000 0.979 84 D CB 0.296 41.121 40.800 0.042 0.000 1.101 84 D HN 0.581 nan 8.370 nan 0.000 0.505 85 G N -0.785 108.118 108.800 0.171 0.000 2.446 85 G HA2 -0.181 3.204 3.960 -0.958 0.000 0.217 85 G HA3 -0.181 3.204 3.960 -0.958 0.000 0.217 85 G C 1.518 176.424 174.900 0.009 0.000 1.168 85 G CA 1.314 46.496 45.100 0.137 0.000 0.771 85 G HN 0.664 nan 8.290 nan 0.000 0.551 86 A N -0.146 122.663 122.820 -0.020 0.000 1.972 86 A HA -0.053 3.692 4.320 -0.958 0.000 0.219 86 A C 2.182 179.703 177.584 -0.104 0.000 1.169 86 A CA 1.735 53.726 52.037 -0.077 0.000 0.635 86 A CB -0.612 18.365 19.000 -0.038 0.000 0.810 86 A HN 0.544 nan 8.150 nan 0.000 0.446 87 Y N -1.282 118.900 120.300 -0.197 0.000 2.200 87 Y HA -0.212 3.755 4.550 -0.972 0.000 0.290 87 Y C 2.060 177.679 175.900 -0.468 0.000 1.137 87 Y CA 1.755 59.663 58.100 -0.319 0.000 1.163 87 Y CB -0.404 37.842 38.460 -0.357 0.000 0.988 87 Y HN 0.445 nan 8.280 nan 0.000 0.518 88 W N 0.525 121.662 121.300 -0.271 0.000 2.379 88 W HA -0.080 4.113 4.660 -0.777 0.000 0.307 88 W C 2.597 178.581 176.519 -0.892 0.000 1.200 88 W CA 1.132 58.054 57.345 -0.704 0.000 1.297 88 W CB -0.329 28.932 29.460 -0.332 0.000 1.140 88 W HN -0.179 nan 8.180 nan 0.000 0.507 89 R N 0.337 120.563 120.500 -0.457 0.000 2.083 89 R HA -0.178 3.587 4.340 -0.958 0.000 0.237 89 R C 1.599 177.776 176.300 -0.205 0.000 1.137 89 R CA 1.904 57.647 56.100 -0.596 0.000 0.951 89 R CB -0.721 29.071 30.300 -0.847 0.000 0.851 89 R HN 0.182 nan 8.270 nan 0.000 0.434 90 D N 0.642 120.880 120.400 -0.269 0.000 2.144 90 D HA -0.134 3.931 4.640 -0.958 0.000 0.200 90 D C 1.889 178.019 176.300 -0.283 0.000 0.978 90 D CA 0.706 54.583 54.000 -0.205 0.000 0.833 90 D CB -0.220 40.451 40.800 -0.214 0.000 0.961 90 D HN 0.064 nan 8.370 nan 0.000 0.470 91 L N 0.254 121.147 121.223 -0.549 0.000 2.017 91 L HA -0.146 3.619 4.340 -0.958 0.000 0.208 91 L C 1.982 178.704 176.870 -0.247 0.000 1.073 91 L CA 1.539 56.035 54.840 -0.573 0.000 0.745 91 L CB -0.586 40.898 42.059 -0.958 0.000 0.894 91 L HN -0.156 nan 8.230 nan 0.000 0.432 92 F N 0.106 119.941 119.950 -0.192 0.000 2.146 92 F HA -0.128 3.794 4.527 -1.010 0.000 0.298 92 F C 2.395 178.160 175.800 -0.057 0.000 1.096 92 F CA 1.031 58.954 58.000 -0.129 0.000 1.275 92 F CB -1.354 37.615 39.000 -0.052 0.000 1.008 92 F HN 0.174 nan 8.300 nan 0.000 0.480 93 D N -0.180 120.351 120.400 0.219 0.000 2.178 93 D HA -0.132 3.933 4.640 -0.958 0.000 0.201 93 D C 2.363 178.683 176.300 0.035 0.000 0.980 93 D CA 1.562 55.647 54.000 0.141 0.000 0.842 93 D CB -0.519 40.396 40.800 0.192 0.000 0.948 93 D HN 0.294 nan 8.370 nan 0.000 0.472 94 S N -0.037 115.653 115.700 -0.016 0.000 2.474 94 S HA -0.063 3.832 4.470 -0.958 0.000 0.235 94 S C 1.667 176.236 174.600 -0.052 0.000 0.997 94 S CA 0.392 58.564 58.200 -0.048 0.000 0.949 94 S CB -0.085 63.059 63.200 -0.094 0.000 0.766 94 S HN 0.192 nan 8.310 nan 0.000 0.517 95 R N 0.404 120.871 120.500 -0.055 0.000 2.334 95 R HA 0.321 4.086 4.340 -0.958 0.000 0.216 95 R C -0.323 175.949 176.300 -0.047 0.000 0.905 95 R CA -0.094 55.968 56.100 -0.064 0.000 1.064 95 R CB 0.234 30.466 30.300 -0.113 0.000 1.046 95 R HN 0.256 nan 8.270 nan 0.000 0.508 96 V N 1.251 121.142 119.914 -0.038 0.000 2.585 96 V HA 0.133 3.678 4.120 -0.958 0.000 0.296 96 V C 1.360 177.432 176.094 -0.038 0.000 1.035 96 V CA 1.245 63.515 62.300 -0.049 0.000 1.084 96 V CB 0.869 32.666 31.823 -0.044 0.000 0.953 96 V HN 0.727 nan 8.190 nan 0.000 0.483 97 G N 3.771 112.543 108.800 -0.046 0.000 2.162 97 G HA2 -0.206 3.178 3.960 -0.958 0.000 0.260 97 G HA3 -0.206 3.178 3.960 -0.958 0.000 0.260 97 G C 0.252 175.143 174.900 -0.014 0.000 0.976 97 G CA -0.015 45.070 45.100 -0.024 0.000 0.655 97 G HN 0.534 nan 8.290 nan 0.000 0.533 98 K N 0.257 120.639 120.400 -0.031 0.000 2.118 98 K HA 0.622 4.367 4.320 -0.958 0.000 0.264 98 K C 0.631 177.212 176.600 -0.031 0.000 1.000 98 K CA -0.279 56.005 56.287 -0.004 0.000 0.929 98 K CB 1.477 33.989 32.500 0.020 0.000 1.021 98 K HN 0.024 nan 8.250 nan 0.000 0.463 99 S N 0.398 116.137 115.700 0.065 0.000 2.602 99 S HA 0.025 3.920 4.470 -0.958 0.000 0.240 99 S C 0.333 175.110 174.600 0.295 0.000 0.992 99 S CA -0.389 57.922 58.200 0.186 0.000 0.971 99 S CB 0.250 63.597 63.200 0.245 0.000 0.855 99 S HN 0.736 nan 8.310 nan 0.000 0.481 100 T N -0.757 113.909 114.554 0.188 0.000 2.788 100 T HA 0.255 4.030 4.350 -0.958 0.000 0.287 100 T C -0.376 174.507 174.700 0.305 0.000 1.007 100 T CA -0.568 61.682 62.100 0.250 0.000 1.005 100 T CB 0.892 69.889 68.868 0.216 0.000 1.012 100 T HN 0.415 nan 8.240 nan 0.000 0.530 101 W N 3.104 124.458 121.300 0.090 0.000 2.391 101 W HA 0.355 4.446 4.660 -0.948 0.000 0.311 101 W C -2.384 173.945 176.519 -0.317 0.000 1.087 101 W CA -2.807 54.547 57.345 0.015 0.000 1.209 101 W CB 2.122 31.586 29.460 0.007 0.000 1.273 101 W HN 0.591 nan 8.180 nan 0.000 0.482 102 P HA 0.036 nan 4.420 nan 0.000 0.280 102 P C 0.308 177.242 177.300 -0.610 0.000 1.431 102 P CA 0.139 62.446 63.100 -1.321 0.000 1.058 102 P CB 0.115 30.814 31.700 -1.669 0.000 1.521 103 Y N 0.572 120.736 120.300 -0.228 0.000 2.716 103 Y HA 0.063 4.035 4.550 -0.963 0.000 0.302 103 Y C 2.531 178.204 175.900 -0.378 0.000 1.160 103 Y CA 0.934 58.913 58.100 -0.203 0.000 1.362 103 Y CB -1.633 36.765 38.460 -0.104 0.000 0.988 103 Y HN 0.043 nan 8.280 nan 0.000 0.546 104 G N -1.015 107.388 108.800 -0.661 0.000 2.534 104 G HA2 -0.126 3.259 3.960 -0.958 0.000 0.217 104 G HA3 -0.126 3.259 3.960 -0.958 0.000 0.217 104 G C 0.806 175.046 174.900 -1.099 0.000 1.128 104 G CA 0.473 44.805 45.100 -1.280 0.000 0.784 104 G HN 0.338 nan 8.290 nan 0.000 0.542 105 S N -0.331 114.987 115.700 -0.637 0.000 2.537 105 S HA 0.477 4.372 4.470 -0.958 0.000 0.275 105 S C 1.698 176.194 174.600 -0.172 0.000 1.272 105 S CA 0.142 58.241 58.200 -0.168 0.000 1.050 105 S CB 1.437 64.745 63.200 0.179 0.000 0.961 105 S HN 0.168 nan 8.310 nan 0.000 0.496 106 G N 3.150 111.858 108.800 -0.153 0.000 2.471 106 G HA2 -0.069 3.316 3.960 -0.958 0.000 0.219 106 G HA3 -0.069 3.316 3.960 -0.958 0.000 0.219 106 G C 1.061 175.778 174.900 -0.306 0.000 1.125 106 G CA 0.828 45.806 45.100 -0.204 0.000 0.775 106 G HN 0.612 nan 8.290 nan 0.000 0.548 107 V N -0.737 118.954 119.914 -0.372 0.000 2.341 107 V HA -0.010 3.535 4.120 -0.958 0.000 0.240 107 V C 2.266 177.954 176.094 -0.677 0.000 1.035 107 V CA 1.141 63.070 62.300 -0.619 0.000 1.033 107 V CB -0.643 30.663 31.823 -0.862 0.000 0.678 107 V HN 0.574 nan 8.190 nan 0.000 0.464 108 W N 0.989 122.183 121.300 -0.177 0.000 2.525 108 W HA -0.092 4.002 4.660 -0.944 0.000 0.259 108 W C 2.596 179.085 176.519 -0.050 0.000 1.253 108 W CA 0.868 58.122 57.345 -0.152 0.000 1.262 108 W CB -0.545 28.767 29.460 -0.247 0.000 1.122 108 W HN 0.346 nan 8.180 nan 0.000 0.607 109 S N 0.044 115.748 115.700 0.006 0.000 2.547 109 S HA -0.063 3.832 4.470 -0.958 0.000 0.235 109 S C 1.135 175.582 174.600 -0.255 0.000 0.980 109 S CA 0.703 58.900 58.200 -0.005 0.000 0.941 109 S CB -0.177 62.940 63.200 -0.139 0.000 0.763 109 S HN 0.110 nan 8.310 nan 0.000 0.532 110 K N 0.884 121.038 120.400 -0.410 0.000 2.646 110 K HA 0.378 4.123 4.320 -0.958 0.000 0.206 110 K C 1.111 177.544 176.600 -0.277 0.000 1.069 110 K CA -0.171 55.668 56.287 -0.747 0.000 1.067 110 K CB 0.447 32.320 32.500 -1.045 0.000 0.807 110 K HN 0.294 nan 8.250 nan 0.000 0.482 111 K N 1.389 121.814 120.400 0.043 0.000 2.107 111 K HA -0.279 3.466 4.320 -0.958 0.000 0.211 111 K C 0.726 177.464 176.600 0.231 0.000 1.049 111 K CA 1.958 58.399 56.287 0.255 0.000 0.927 111 K CB 0.199 32.968 32.500 0.450 0.000 0.714 111 K HN 0.100 nan 8.250 nan 0.000 0.452 112 E N -0.863 119.470 120.200 0.222 0.000 2.267 112 E HA -0.183 3.592 4.350 -0.958 0.000 0.197 112 E C 0.949 177.662 176.600 0.187 0.000 0.998 112 E CA 1.214 57.742 56.400 0.213 0.000 0.830 112 E CB -0.093 29.706 29.700 0.164 0.000 0.751 112 E HN 0.499 nan 8.360 nan 0.000 0.491 113 W N -1.209 119.927 121.300 -0.274 0.000 3.127 113 W HA 0.310 4.699 4.660 -0.452 0.000 0.344 113 W C 1.081 177.274 176.519 -0.544 0.000 1.151 113 W CA -0.397 56.617 57.345 -0.552 0.000 1.765 113 W CB -0.026 29.107 29.460 -0.545 0.000 1.085 113 W HN -0.106 nan 8.180 nan 0.000 0.596 114 V N -0.574 119.350 119.914 0.017 0.000 2.939 114 V HA 0.233 3.778 4.120 -0.958 0.000 0.228 114 V C 0.631 176.860 176.094 0.226 0.000 1.162 114 V CA 0.606 62.921 62.300 0.024 0.000 1.222 114 V CB 0.093 31.777 31.823 -0.231 0.000 1.053 114 V HN -0.270 nan 8.190 nan 0.000 0.504 115 L N 2.410 123.804 121.223 0.285 0.000 2.502 115 L HA 0.308 4.073 4.340 -0.958 0.000 0.249 115 L C -1.631 175.445 176.870 0.344 0.000 1.446 115 L CA -1.018 54.007 54.840 0.309 0.000 0.887 115 L CB 1.842 44.110 42.059 0.349 0.000 1.126 115 L HN 0.223 nan 8.230 nan 0.000 0.509 116 P HA -0.226 nan 4.420 nan 0.000 0.217 116 P C 0.671 178.157 177.300 0.311 0.000 1.148 116 P CA 1.556 64.881 63.100 0.375 0.000 0.834 116 P CB 0.472 32.442 31.700 0.450 0.000 0.783 117 E N -1.131 119.225 120.200 0.260 0.000 2.474 117 E HA 0.141 3.916 4.350 -0.958 0.000 0.195 117 E C 1.096 177.788 176.600 0.153 0.000 1.039 117 E CA -0.546 55.970 56.400 0.194 0.000 0.881 117 E CB 0.110 29.909 29.700 0.165 0.000 0.970 117 E HN 0.301 nan 8.360 nan 0.000 0.486 118 I N 1.773 122.435 120.570 0.154 0.000 2.696 118 I HA -0.036 3.559 4.170 -0.958 0.000 0.284 118 I C 0.191 176.342 176.117 0.056 0.000 1.129 118 I CA -0.036 61.319 61.300 0.090 0.000 1.410 118 I CB 0.678 38.711 38.000 0.055 0.000 1.399 118 I HN -0.105 nan 8.210 nan 0.000 0.579 119 D N 5.453 125.874 120.400 0.036 0.000 2.264 119 D HA -0.001 4.064 4.640 -0.958 0.000 0.250 119 D C 0.487 176.790 176.300 0.006 0.000 1.113 119 D CA -0.319 53.701 54.000 0.033 0.000 0.871 119 D CB 1.309 42.131 40.800 0.036 0.000 1.167 119 D HN 0.510 nan 8.370 nan 0.000 0.447 120 D N 2.394 122.809 120.400 0.024 0.000 2.239 120 D HA -0.185 3.880 4.640 -0.958 0.000 0.202 120 D C 0.967 177.379 176.300 0.187 0.000 0.993 120 D CA 1.027 55.074 54.000 0.077 0.000 0.874 120 D CB 0.200 41.090 40.800 0.150 0.000 0.922 120 D HN 0.531 nan 8.370 nan 0.000 0.464 121 D N 0.363 120.808 120.400 0.074 0.000 2.310 121 D HA -0.090 3.975 4.640 -0.958 0.000 0.212 121 D C 0.997 177.301 176.300 0.008 0.000 0.965 121 D CA 0.698 54.706 54.000 0.013 0.000 0.879 121 D CB 0.033 40.822 40.800 -0.018 0.000 0.921 121 D HN 0.273 nan 8.370 nan 0.000 0.510 122 D N -0.042 120.366 120.400 0.013 0.000 2.367 122 D HA 0.101 4.166 4.640 -0.958 0.000 0.207 122 D C 0.966 177.258 176.300 -0.013 0.000 1.034 122 D CA -0.151 53.851 54.000 0.003 0.000 0.861 122 D CB 0.913 41.717 40.800 0.006 0.000 0.943 122 D HN 0.232 nan 8.370 nan 0.000 0.515 123 I N 1.604 122.139 120.570 -0.058 0.000 2.683 123 I HA -0.060 3.535 4.170 -0.958 0.000 0.286 123 I C 0.006 176.171 176.117 0.081 0.000 1.175 123 I CA 0.157 61.325 61.300 -0.221 0.000 1.429 123 I CB 0.855 38.459 38.000 -0.659 0.000 1.371 123 I HN -0.334 nan 8.210 nan 0.000 0.569 124 V N 6.243 126.213 119.914 0.093 0.000 2.313 124 V HA 0.369 3.914 4.120 -0.958 0.000 0.278 124 V C -0.020 176.320 176.094 0.410 0.000 1.017 124 V CA -0.121 62.336 62.300 0.261 0.000 0.823 124 V CB 1.130 33.107 31.823 0.257 0.000 1.010 124 V HN 0.805 nan 8.190 nan 0.000 0.443 125 S N 3.627 119.594 115.700 0.445 0.000 2.564 125 S HA 0.786 4.681 4.470 -0.958 0.000 0.274 125 S C 0.107 174.894 174.600 0.312 0.000 1.124 125 S CA 0.253 58.750 58.200 0.495 0.000 0.869 125 S CB 2.176 65.598 63.200 0.369 0.000 1.105 125 S HN 0.939 nan 8.310 nan 0.000 0.472 126 A N 2.734 125.700 122.820 0.244 0.000 2.594 126 A HA 0.585 4.330 4.320 -0.958 0.000 0.287 126 A C 0.037 177.699 177.584 0.129 0.000 1.227 126 A CA -0.375 51.625 52.037 -0.062 0.000 0.952 126 A CB -0.554 18.139 19.000 -0.511 0.000 1.161 126 A HN 1.106 nan 8.150 nan 0.000 0.524 127 F N 0.505 120.527 119.950 0.121 0.000 3.071 127 F HA -0.161 3.792 4.527 -0.957 0.000 0.295 127 F C 0.832 176.694 175.800 0.103 0.000 0.919 127 F CA 0.495 58.553 58.000 0.096 0.000 1.050 127 F CB -2.376 36.669 39.000 0.075 0.000 1.040 127 F HN 0.705 nan 8.300 nan 0.000 0.692 128 E N 0.792 121.194 120.200 0.336 0.000 2.410 128 E HA 0.502 4.277 4.350 -0.958 0.000 0.255 128 E C 1.129 177.805 176.600 0.126 0.000 1.194 128 E CA 0.489 57.058 56.400 0.280 0.000 0.955 128 E CB 0.703 30.613 29.700 0.350 0.000 0.988 128 E HN 0.940 nan 8.360 nan 0.000 0.461 129 G N 1.038 109.889 108.800 0.086 0.000 2.660 129 G HA2 -0.240 3.144 3.960 -0.958 0.000 0.247 129 G HA3 -0.240 3.144 3.960 -0.958 0.000 0.247 129 G C -0.238 174.667 174.900 0.009 0.000 1.328 129 G CA -0.234 44.866 45.100 0.001 0.000 0.884 129 G HN 0.772 nan 8.290 nan 0.000 0.531 130 N N -1.265 117.409 118.700 -0.043 0.000 2.721 130 N HA -0.201 3.964 4.740 -0.958 0.000 0.249 130 N C 0.780 176.298 175.510 0.015 0.000 1.072 130 N CA 1.783 54.810 53.050 -0.039 0.000 0.710 130 N CB -1.554 36.909 38.487 -0.041 0.000 0.993 130 N HN 1.880 nan 8.380 nan 0.000 0.547 131 S N -0.221 115.502 115.700 0.039 0.000 2.585 131 S HA 0.121 4.016 4.470 -0.958 0.000 0.273 131 S C 0.545 175.202 174.600 0.095 0.000 1.339 131 S CA -0.873 57.381 58.200 0.091 0.000 1.028 131 S CB 1.858 65.137 63.200 0.132 0.000 0.906 131 S HN 0.345 nan 8.310 nan 0.000 0.528 132 N N 0.784 119.569 118.700 0.141 0.000 2.411 132 N HA -0.057 4.108 4.740 -0.958 0.000 0.261 132 N C -1.108 174.550 175.510 0.248 0.000 1.248 132 N CA -0.179 52.983 53.050 0.187 0.000 0.885 132 N CB 0.131 38.734 38.487 0.193 0.000 1.062 132 N HN 0.631 nan 8.380 nan 0.000 0.471 133 L N 6.532 127.888 121.223 0.221 0.000 2.301 133 L HA 0.412 4.177 4.340 -0.958 0.000 0.278 133 L C -1.230 175.954 176.870 0.522 0.000 1.022 133 L CA -0.693 54.290 54.840 0.239 0.000 0.854 133 L CB 0.198 42.221 42.059 -0.060 0.000 1.226 133 L HN 0.417 nan 8.230 nan 0.000 0.429 134 F N 5.205 125.403 119.950 0.413 0.000 2.408 134 F HA 0.421 4.372 4.527 -0.960 0.000 0.344 134 F C -0.855 175.142 175.800 0.328 0.000 1.112 134 F CA -0.616 57.611 58.000 0.379 0.000 1.096 134 F CB 0.825 40.026 39.000 0.335 0.000 1.129 134 F HN 0.635 nan 8.300 nan 0.000 0.486 135 W N 7.780 128.480 121.300 -1.001 0.000 2.416 135 W HA 0.552 4.637 4.660 -0.959 0.000 0.318 135 W C -0.684 174.858 176.519 -1.627 0.000 1.150 135 W CA -1.808 54.568 57.345 -1.615 0.000 1.392 135 W CB 0.569 29.058 29.460 -1.619 0.000 1.311 135 W HN 0.739 nan 8.180 nan 0.000 0.436 136 A N 5.773 127.826 122.820 -1.277 0.000 3.048 136 A HA 0.046 3.791 4.320 -0.958 0.000 0.264 136 A C 1.593 178.665 177.584 -0.854 0.000 1.796 136 A CA 0.259 51.795 52.037 -0.835 0.000 1.445 136 A CB -0.782 18.148 19.000 -0.117 0.000 1.074 136 A HN 0.865 nan 8.150 nan 0.000 0.621 137 E N 1.360 120.669 120.200 -1.485 0.000 2.012 137 E HA -0.267 3.508 4.350 -0.958 0.000 0.197 137 E C 2.027 178.281 176.600 -0.576 0.000 1.007 137 E CA 1.619 57.144 56.400 -1.458 0.000 0.816 137 E CB -0.128 28.350 29.700 -2.038 0.000 0.762 137 E HN 0.729 nan 8.360 nan 0.000 0.451 138 R N -0.729 119.550 120.500 -0.368 0.000 2.080 138 R HA -0.177 3.588 4.340 -0.958 0.000 0.236 138 R C 2.422 178.746 176.300 0.039 0.000 1.137 138 R CA 1.795 57.825 56.100 -0.115 0.000 0.943 138 R CB -0.504 29.779 30.300 -0.028 0.000 0.846 138 R HN 0.285 nan 8.270 nan 0.000 0.431 139 F N 0.599 120.520 119.950 -0.049 0.000 2.102 139 F HA -0.034 3.918 4.527 -0.959 0.000 0.298 139 F C 2.057 177.898 175.800 0.069 0.000 1.105 139 F CA 1.913 59.937 58.000 0.041 0.000 1.239 139 F CB -0.803 38.142 39.000 -0.092 0.000 0.991 139 F HN 0.130 nan 8.300 nan 0.000 0.474 140 G N 0.064 108.906 108.800 0.069 0.000 2.491 140 G HA2 -0.361 3.024 3.960 -0.958 0.000 0.218 140 G HA3 -0.361 3.024 3.960 -0.958 0.000 0.218 140 G C 1.749 176.613 174.900 -0.059 0.000 1.180 140 G CA 1.126 46.225 45.100 -0.000 0.000 0.774 140 G HN 0.405 nan 8.290 nan 0.000 0.562 141 K N -0.496 119.859 120.400 -0.074 0.000 2.007 141 K HA -0.067 3.678 4.320 -0.958 0.000 0.206 141 K C 2.661 179.197 176.600 -0.105 0.000 1.047 141 K CA 1.155 57.400 56.287 -0.070 0.000 0.937 141 K CB -0.127 32.332 32.500 -0.069 0.000 0.718 141 K HN 0.142 nan 8.250 nan 0.000 0.438 142 Q N -0.510 119.217 119.800 -0.121 0.000 2.119 142 Q HA -0.105 3.660 4.340 -0.958 0.000 0.201 142 Q C 1.771 177.492 176.000 -0.466 0.000 0.972 142 Q CA 1.426 57.070 55.803 -0.264 0.000 0.847 142 Q CB 0.019 28.594 28.738 -0.271 0.000 0.903 142 Q HN 0.353 nan 8.270 nan 0.000 0.433 143 F N -1.372 118.329 119.950 -0.415 0.000 2.720 143 F HA 0.208 4.160 4.527 -0.958 0.000 0.301 143 F C 1.549 177.163 175.800 -0.310 0.000 1.103 143 F CA 0.216 57.929 58.000 -0.479 0.000 1.291 143 F CB 0.547 38.976 39.000 -0.952 0.000 1.086 143 F HN -0.104 nan 8.300 nan 0.000 0.592 144 L N -1.172 119.993 121.223 -0.096 0.000 3.217 144 L HA 0.453 4.218 4.340 -0.958 0.000 0.288 144 L C 0.967 177.831 176.870 -0.010 0.000 1.202 144 L CA -0.022 54.816 54.840 -0.004 0.000 1.027 144 L CB 0.206 42.269 42.059 0.007 0.000 1.427 144 L HN 0.122 nan 8.230 nan 0.000 0.600 148 D N 1.181 121.735 120.400 0.257 0.000 2.945 148 D HA 0.292 4.357 4.640 -0.958 0.000 0.369 148 D C -1.281 175.266 176.300 0.411 0.000 1.294 148 D CA -0.289 53.912 54.000 0.336 0.000 0.778 148 D CB 0.362 41.311 40.800 0.249 0.000 1.188 148 D HN 0.244 nan 8.370 nan 0.000 0.479 149 L N 0.928 122.319 121.223 0.280 0.000 2.295 149 L HA 0.717 4.482 4.340 -0.958 0.000 0.285 149 L C -1.444 175.537 176.870 0.185 0.000 1.035 149 L CA -0.171 54.833 54.840 0.273 0.000 0.806 149 L CB 0.553 42.709 42.059 0.162 0.000 1.214 149 L HN -0.037 nan 8.230 nan 0.000 0.426 150 W N 3.609 125.033 121.300 0.208 0.000 2.975 150 W HA 0.741 4.830 4.660 -0.951 0.000 0.342 150 W C -1.172 175.426 176.519 0.132 0.000 1.168 150 W CA -0.733 56.731 57.345 0.198 0.000 1.141 150 W CB 1.910 31.559 29.460 0.314 0.000 1.445 150 W HN 0.223 nan 8.180 nan 0.000 0.560 151 V N 2.194 122.340 119.914 0.386 0.000 2.531 151 V HA 0.338 3.883 4.120 -0.958 0.000 0.301 151 V C -0.545 175.568 176.094 0.032 0.000 1.034 151 V CA -1.308 61.058 62.300 0.110 0.000 0.865 151 V CB 1.530 33.310 31.823 -0.072 0.000 0.995 151 V HN 0.334 nan 8.190 nan 0.000 0.424 152 K N 3.560 123.945 120.400 -0.026 0.000 2.263 152 K HA 0.294 4.039 4.320 -0.958 0.000 0.282 152 K C 0.090 176.657 176.600 -0.054 0.000 1.089 152 K CA -0.037 56.259 56.287 0.015 0.000 0.907 152 K CB -0.026 32.509 32.500 0.059 0.000 1.148 152 K HN 0.631 nan 8.250 nan 0.000 0.470 153 H N 4.806 123.933 119.070 0.095 0.000 2.998 153 H HA 0.046 4.027 4.556 -0.958 0.000 0.241 153 H C 0.464 175.840 175.328 0.080 0.000 1.852 153 H CA -0.117 55.961 56.048 0.049 0.000 1.419 153 H CB -0.232 29.538 29.762 0.014 0.000 1.793 153 H HN 0.668 nan 8.280 nan 0.000 0.553 154 C N 0.582 119.994 119.300 0.187 0.000 2.432 154 C HA -0.056 3.829 4.460 -0.958 0.000 0.282 154 C C 2.663 177.807 174.990 0.256 0.000 1.388 154 C CA 1.048 60.218 59.018 0.254 0.000 1.777 154 C CB -1.001 26.937 27.740 0.331 0.000 1.882 154 C HN 0.843 nan 8.230 nan 0.000 0.520 155 G N -0.113 108.816 108.800 0.215 0.000 2.650 155 G HA2 0.107 3.492 3.960 -0.958 0.000 0.214 155 G HA3 0.107 3.492 3.960 -0.958 0.000 0.214 155 G C 0.671 175.695 174.900 0.207 0.000 1.136 155 G CA 0.047 45.273 45.100 0.211 0.000 0.789 155 G HN 0.577 nan 8.290 nan 0.000 0.536 156 I N 2.868 123.541 120.570 0.171 0.000 2.206 156 I HA 0.227 3.822 4.170 -0.958 0.000 0.292 156 I C 0.221 176.453 176.117 0.192 0.000 1.156 156 I CA -0.224 61.186 61.300 0.183 0.000 1.356 156 I CB -0.144 37.886 38.000 0.051 0.000 1.494 156 I HN 0.149 nan 8.210 nan 0.000 0.601 157 S N 0.958 116.780 115.700 0.202 0.000 2.776 157 S HA 0.310 4.205 4.470 -0.958 0.000 0.292 157 S C 0.797 175.497 174.600 0.165 0.000 1.187 157 S CA -0.758 57.556 58.200 0.188 0.000 0.834 157 S CB 1.113 64.414 63.200 0.169 0.000 1.199 157 S HN 0.644 nan 8.310 nan 0.000 0.514 158 H N -0.383 118.750 119.070 0.104 0.000 2.387 158 H HA -0.005 3.975 4.556 -0.960 0.000 0.299 158 H C 1.634 176.993 175.328 0.052 0.000 1.090 158 H CA 2.026 58.110 56.048 0.060 0.000 1.332 158 H CB -0.788 28.992 29.762 0.030 0.000 1.386 158 H HN 0.701 nan 8.280 nan 0.000 0.516 159 T N -3.733 110.604 114.554 -0.362 0.000 3.107 159 T HA 0.305 4.080 4.350 -0.958 0.000 0.249 159 T C 1.711 176.382 174.700 -0.048 0.000 1.096 159 T CA 0.166 62.157 62.100 -0.183 0.000 1.012 159 T CB -0.080 68.665 68.868 -0.204 0.000 0.977 159 T HN 0.832 nan 8.240 nan 0.000 0.527 160 G N 0.487 109.294 108.800 0.012 0.000 2.143 160 G HA2 -0.197 3.188 3.960 -0.958 0.000 0.248 160 G HA3 -0.197 3.188 3.960 -0.958 0.000 0.248 160 G C 0.041 175.029 174.900 0.146 0.000 0.991 160 G CA 0.300 45.469 45.100 0.115 0.000 0.689 160 G HN 1.102 nan 8.290 nan 0.000 0.522 161 S N -1.845 113.921 115.700 0.111 0.000 2.569 161 S HA 0.651 4.546 4.470 -0.958 0.000 0.280 161 S C 0.545 175.266 174.600 0.202 0.000 1.111 161 S CA 0.219 58.519 58.200 0.166 0.000 0.887 161 S CB 1.106 64.382 63.200 0.127 0.000 1.095 161 S HN 1.085 nan 8.310 nan 0.000 0.476 162 F N 3.457 123.461 119.950 0.090 0.000 2.365 162 F HA 0.187 4.135 4.527 -0.965 0.000 0.300 162 F C 1.796 177.620 175.800 0.041 0.000 1.090 162 F CA 1.335 59.382 58.000 0.078 0.000 1.408 162 F CB -0.009 39.059 39.000 0.113 0.000 1.060 162 F HN 0.526 nan 8.300 nan 0.000 0.534 163 K N 0.546 120.935 120.400 -0.018 0.000 2.280 163 K HA -0.154 3.591 4.320 -0.958 0.000 0.202 163 K C 1.533 178.023 176.600 -0.184 0.000 1.047 163 K CA 1.161 57.359 56.287 -0.148 0.000 0.942 163 K CB -0.796 31.701 32.500 -0.006 0.000 0.739 163 K HN 0.333 nan 8.250 nan 0.000 0.457 164 D N 1.229 121.575 120.400 -0.089 0.000 2.158 164 D HA -0.147 3.918 4.640 -0.958 0.000 0.197 164 D C 1.990 178.163 176.300 -0.212 0.000 0.995 164 D CA 0.802 54.791 54.000 -0.017 0.000 0.846 164 D CB -0.204 40.688 40.800 0.153 0.000 0.941 164 D HN 0.171 nan 8.370 nan 0.000 0.456 165 L N 0.318 121.375 121.223 -0.277 0.000 2.083 165 L HA -0.023 3.741 4.340 -0.958 0.000 0.209 165 L C 1.722 178.337 176.870 -0.426 0.000 1.083 165 L CA 0.843 55.464 54.840 -0.365 0.000 0.752 165 L CB -0.838 40.947 42.059 -0.456 0.000 0.899 165 L HN -0.008 nan 8.230 nan 0.000 0.433 169 V N 2.702 122.597 119.914 -0.031 0.000 2.283 169 V HA 0.096 3.641 4.120 -0.958 0.000 0.243 169 V C 2.481 178.621 176.094 0.076 0.000 1.039 169 V CA 2.118 64.465 62.300 0.079 0.000 1.016 169 V CB -0.725 31.011 31.823 -0.145 0.000 0.650 169 V HN 0.557 nan 8.190 nan 0.000 0.449 170 L N 0.016 121.233 121.223 -0.010 0.000 1.989 170 L HA -0.177 3.588 4.340 -0.958 0.000 0.211 170 L C 2.362 179.281 176.870 0.081 0.000 1.071 170 L CA 1.840 56.696 54.840 0.027 0.000 0.749 170 L CB -0.206 41.858 42.059 0.008 0.000 0.890 170 L HN 0.175 nan 8.230 nan 0.000 0.431 171 V N -0.779 119.181 119.914 0.076 0.000 2.626 171 V HA -0.212 3.333 4.120 -0.958 0.000 0.252 171 V C 2.560 178.739 176.094 0.143 0.000 1.067 171 V CA 1.713 64.091 62.300 0.129 0.000 1.081 171 V CB -0.084 31.844 31.823 0.175 0.000 0.686 171 V HN 0.436 nan 8.190 nan 0.000 0.468 172 S N -0.575 115.218 115.700 0.155 0.000 2.371 172 S HA -0.226 3.669 4.470 -0.958 0.000 0.224 172 S C 2.009 176.673 174.600 0.107 0.000 1.029 172 S CA 1.500 59.775 58.200 0.126 0.000 0.978 172 S CB -0.250 63.028 63.200 0.130 0.000 0.833 172 S HN 0.571 nan 8.310 nan 0.000 0.466 173 Q N 1.429 121.304 119.800 0.124 0.000 2.084 173 Q HA -0.034 3.731 4.340 -0.958 0.000 0.202 173 Q C 1.974 178.057 176.000 0.139 0.000 0.978 173 Q CA 1.557 57.428 55.803 0.114 0.000 0.844 173 Q CB -0.701 28.087 28.738 0.082 0.000 0.898 173 Q HN 0.334 nan 8.270 nan 0.000 0.426 174 V N 1.276 121.286 119.914 0.160 0.000 2.407 174 V HA -0.242 3.303 4.120 -0.958 0.000 0.248 174 V C 2.144 178.322 176.094 0.139 0.000 1.055 174 V CA 1.899 64.320 62.300 0.202 0.000 1.049 174 V CB -0.835 31.115 31.823 0.212 0.000 0.662 174 V HN 0.483 nan 8.190 nan 0.000 0.455 175 N N 0.401 119.166 118.700 0.109 0.000 2.188 175 N HA -0.196 3.969 4.740 -0.958 0.000 0.184 175 N C 1.991 177.542 175.510 0.067 0.000 1.018 175 N CA 1.605 54.700 53.050 0.076 0.000 0.858 175 N CB -0.272 38.257 38.487 0.069 0.000 0.989 175 N HN 0.447 nan 8.380 nan 0.000 0.426 176 R N 0.296 120.844 120.500 0.078 0.000 2.070 176 R HA -0.042 3.723 4.340 -0.958 0.000 0.233 176 R C 2.035 178.387 176.300 0.086 0.000 1.137 176 R CA 1.249 57.393 56.100 0.073 0.000 0.945 176 R CB -0.440 29.909 30.300 0.082 0.000 0.845 176 R HN 0.265 nan 8.270 nan 0.000 0.430 177 L N 0.430 121.724 121.223 0.119 0.000 2.079 177 L HA -0.154 3.611 4.340 -0.958 0.000 0.210 177 L C 2.987 179.919 176.870 0.103 0.000 1.081 177 L CA 1.477 56.399 54.840 0.138 0.000 0.752 177 L CB -0.567 41.627 42.059 0.224 0.000 0.896 177 L HN 0.313 nan 8.230 nan 0.000 0.433 178 R N 0.744 121.292 120.500 0.081 0.000 2.073 178 R HA -0.104 3.661 4.340 -0.958 0.000 0.234 178 R C 1.068 177.385 176.300 0.029 0.000 1.134 178 R CA 1.077 57.198 56.100 0.036 0.000 0.952 178 R CB 0.121 30.432 30.300 0.019 0.000 0.850 178 R HN 0.287 nan 8.270 nan 0.000 0.433 182 R N 1.456 121.985 120.500 0.049 0.000 2.309 182 R HA 0.215 3.980 4.340 -0.958 0.000 0.331 182 R C -2.517 173.814 176.300 0.052 0.000 1.116 182 R CA -1.823 54.318 56.100 0.069 0.000 0.970 182 R CB -0.483 29.883 30.300 0.109 0.000 1.024 182 R HN -0.098 nan 8.270 nan 0.000 0.472 183 P HA -0.134 nan 4.420 nan 0.000 0.255 183 P C -0.721 176.537 177.300 -0.070 0.000 1.151 183 P CA 0.659 63.753 63.100 -0.010 0.000 0.767 183 P CB 0.336 32.036 31.700 0.001 0.000 0.736 184 V N 4.853 124.691 119.914 -0.127 0.000 2.675 184 V HA -0.003 3.542 4.120 -0.958 0.000 0.266 184 V C 0.928 176.915 176.094 -0.178 0.000 0.974 184 V CA -0.377 61.751 62.300 -0.286 0.000 0.890 184 V CB 1.730 33.352 31.823 -0.335 0.000 1.055 184 V HN 0.205 nan 8.190 nan 0.000 0.477 185 V N 2.282 122.105 119.914 -0.153 0.000 3.041 185 V HA 0.433 3.977 4.120 -0.958 0.000 0.260 185 V C 1.274 177.316 176.094 -0.086 0.000 1.105 185 V CA 1.683 63.926 62.300 -0.095 0.000 1.125 185 V CB -0.380 31.400 31.823 -0.072 0.000 0.730 185 V HN 0.974 nan 8.190 nan 0.000 0.479 186 G N -1.226 107.508 108.800 -0.109 0.000 2.340 186 G HA2 0.469 3.854 3.960 -0.958 0.000 0.299 186 G HA3 0.469 3.854 3.960 -0.958 0.000 0.299 186 G C -1.933 172.940 174.900 -0.044 0.000 1.291 186 G CA -0.252 44.813 45.100 -0.058 0.000 0.841 186 G HN -0.107 nan 8.290 nan 0.000 0.500 187 V N -0.211 119.719 119.914 0.027 0.000 2.680 187 V HA 0.884 4.429 4.120 -0.958 0.000 0.309 187 V C 0.736 176.901 176.094 0.119 0.000 1.052 187 V CA 0.165 62.518 62.300 0.088 0.000 0.908 187 V CB 1.695 33.582 31.823 0.107 0.000 1.001 187 V HN 1.428 nan 8.190 nan 0.000 0.431 188 G N 0.804 109.718 108.800 0.189 0.000 2.511 188 G HA2 0.656 4.041 3.960 -0.958 0.000 0.318 188 G HA3 0.656 4.041 3.960 -0.958 0.000 0.318 188 G C -1.357 173.689 174.900 0.243 0.000 1.210 188 G CA -0.568 44.693 45.100 0.268 0.000 0.969 188 G HN 0.953 nan 8.290 nan 0.000 0.484 189 C N -0.183 119.273 119.300 0.260 0.000 3.082 189 C HA 0.736 4.621 4.460 -0.958 0.000 0.324 189 C C 0.490 175.641 174.990 0.268 0.000 1.210 189 C CA 0.286 59.432 59.018 0.213 0.000 1.366 189 C CB 1.088 28.906 27.740 0.129 0.000 1.756 189 C HN 1.307 nan 8.230 nan 0.000 0.485 190 A N 2.912 125.873 122.820 0.236 0.000 2.606 190 A HA 0.607 4.352 4.320 -0.958 0.000 0.290 190 A C 0.346 178.070 177.584 0.233 0.000 1.174 190 A CA 0.498 52.686 52.037 0.252 0.000 0.958 190 A CB -0.326 18.802 19.000 0.212 0.000 1.194 190 A HN 1.468 nan 8.150 nan 0.000 0.526 191 S N -1.315 114.489 115.700 0.173 0.000 2.677 191 S HA 0.599 4.494 4.470 -0.958 0.000 0.304 191 S C 0.470 175.128 174.600 0.097 0.000 1.108 191 S CA 0.225 58.509 58.200 0.140 0.000 0.944 191 S CB 1.418 64.692 63.200 0.124 0.000 1.127 191 S HN 0.554 nan 8.310 nan 0.000 0.511 192 T N -2.671 111.927 114.554 0.074 0.000 3.084 192 T HA 0.458 4.233 4.350 -0.958 0.000 0.270 192 T C 0.841 175.564 174.700 0.037 0.000 1.008 192 T CA 0.075 62.204 62.100 0.047 0.000 0.900 192 T CB -0.213 68.676 68.868 0.035 0.000 1.084 192 T HN 0.853 nan 8.240 nan 0.000 0.538 193 G N 1.128 109.958 108.800 0.050 0.000 2.714 193 G HA2 0.351 3.736 3.960 -0.958 0.000 0.197 193 G HA3 0.351 3.736 3.960 -0.958 0.000 0.197 193 G C 0.288 175.218 174.900 0.049 0.000 1.449 193 G CA -0.254 44.874 45.100 0.047 0.000 1.065 193 G HN 0.122 nan 8.290 nan 0.000 0.575 194 D N -0.428 120.011 120.400 0.064 0.000 2.178 194 D HA -0.067 3.998 4.640 -0.958 0.000 0.201 194 D C 2.627 178.970 176.300 0.071 0.000 0.980 194 D CA 1.458 55.499 54.000 0.069 0.000 0.842 194 D CB -0.439 40.423 40.800 0.104 0.000 0.948 194 D HN 0.260 nan 8.370 nan 0.000 0.472 195 T N -0.173 114.429 114.554 0.079 0.000 2.684 195 T HA -0.169 3.606 4.350 -0.958 0.000 0.267 195 T C 2.044 176.789 174.700 0.074 0.000 1.036 195 T CA 1.609 63.753 62.100 0.074 0.000 1.148 195 T CB -0.302 68.614 68.868 0.080 0.000 0.863 195 T HN 0.063 nan 8.240 nan 0.000 0.436 196 S N 0.504 116.248 115.700 0.073 0.000 2.383 196 S HA -0.020 3.875 4.470 -0.958 0.000 0.227 196 S C 2.371 177.009 174.600 0.064 0.000 1.026 196 S CA 1.209 59.451 58.200 0.069 0.000 0.981 196 S CB -0.494 62.742 63.200 0.061 0.000 0.818 196 S HN 0.515 nan 8.310 nan 0.000 0.472 197 A N 1.389 124.241 122.820 0.053 0.000 1.877 197 A HA 0.149 3.894 4.320 -0.958 0.000 0.216 197 A C 2.453 180.081 177.584 0.073 0.000 1.186 197 A CA 1.929 53.993 52.037 0.045 0.000 0.620 197 A CB -1.407 17.606 19.000 0.023 0.000 0.822 197 A HN 0.716 nan 8.150 nan 0.000 0.443 198 A N -0.665 122.209 122.820 0.090 0.000 1.898 198 A HA 0.003 3.748 4.320 -0.958 0.000 0.216 198 A C 2.147 179.888 177.584 0.260 0.000 1.181 198 A CA 1.712 53.849 52.037 0.167 0.000 0.620 198 A CB -0.638 18.429 19.000 0.112 0.000 0.819 198 A HN 0.694 nan 8.150 nan 0.000 0.442 199 L N 0.001 121.322 121.223 0.163 0.000 1.994 199 L HA -0.119 3.646 4.340 -0.958 0.000 0.208 199 L C 2.483 179.458 176.870 0.175 0.000 1.071 199 L CA 2.720 57.658 54.840 0.163 0.000 0.745 199 L CB -0.747 41.380 42.059 0.113 0.000 0.892 199 L HN 0.269 nan 8.230 nan 0.000 0.431 200 S N -0.311 115.464 115.700 0.124 0.000 2.399 200 S HA -0.096 3.799 4.470 -0.958 0.000 0.231 200 S C 2.053 176.708 174.600 0.092 0.000 1.022 200 S CA 0.942 59.199 58.200 0.094 0.000 0.983 200 S CB -0.533 62.702 63.200 0.059 0.000 0.803 200 S HN 0.681 nan 8.310 nan 0.000 0.480 201 A N 0.482 123.366 122.820 0.106 0.000 1.873 201 A HA -0.073 3.672 4.320 -0.958 0.000 0.215 201 A C 1.871 179.446 177.584 -0.014 0.000 1.186 201 A CA 1.326 53.390 52.037 0.045 0.000 0.616 201 A CB -0.914 18.119 19.000 0.054 0.000 0.823 201 A HN 0.533 nan 8.150 nan 0.000 0.442 202 Y N -0.671 119.703 120.300 0.123 0.000 2.242 202 Y HA -0.216 3.762 4.550 -0.953 0.000 0.291 202 Y C 2.879 178.828 175.900 0.082 0.000 1.137 202 Y CA 1.096 59.266 58.100 0.118 0.000 1.181 202 Y CB -0.801 37.739 38.460 0.132 0.000 0.989 202 Y HN 0.383 nan 8.280 nan 0.000 0.527 203 C N -0.538 118.881 119.300 0.198 0.000 2.413 203 C HA -0.218 3.667 4.460 -0.958 0.000 0.276 203 C C 3.032 178.062 174.990 0.068 0.000 1.236 203 C CA 1.174 60.266 59.018 0.122 0.000 1.735 203 C CB -1.467 26.333 27.740 0.100 0.000 2.031 203 C HN 0.636 nan 8.230 nan 0.000 0.474 204 A N -0.232 122.615 122.820 0.046 0.000 1.940 204 A HA -0.210 3.535 4.320 -0.958 0.000 0.219 204 A C 2.314 179.894 177.584 -0.007 0.000 1.176 204 A CA 2.251 54.295 52.037 0.012 0.000 0.631 204 A CB -0.966 18.036 19.000 0.003 0.000 0.814 204 A HN 0.563 nan 8.150 nan 0.000 0.446 205 S N -0.464 115.226 115.700 -0.016 0.000 2.382 205 S HA 0.004 3.899 4.470 -0.958 0.000 0.228 205 S C 1.795 176.388 174.600 -0.012 0.000 1.027 205 S CA 1.525 59.700 58.200 -0.041 0.000 0.991 205 S CB -0.340 62.810 63.200 -0.082 0.000 0.823 205 S HN 0.873 nan 8.310 nan 0.000 0.469 206 A N -0.559 122.277 122.820 0.027 0.000 2.308 206 A HA 0.552 4.297 4.320 -0.958 0.000 0.217 206 A C 1.504 179.090 177.584 0.004 0.000 1.216 206 A CA 0.670 52.721 52.037 0.023 0.000 0.864 206 A CB -0.832 18.205 19.000 0.061 0.000 0.902 206 A HN 1.370 nan 8.150 nan 0.000 0.499 207 G N -0.269 108.531 108.800 -0.001 0.000 2.221 207 G HA2 -0.228 3.157 3.960 -0.958 0.000 0.265 207 G HA3 -0.228 3.157 3.960 -0.958 0.000 0.265 207 G C -0.025 174.872 174.900 -0.004 0.000 1.041 207 G CA 0.435 45.529 45.100 -0.010 0.000 0.807 207 G HN 0.491 nan 8.290 nan 0.000 0.502 208 I N 1.014 121.591 120.570 0.012 0.000 2.315 208 I HA 0.269 3.864 4.170 -0.958 0.000 0.291 208 I C -1.849 174.275 176.117 0.011 0.000 1.006 208 I CA -2.478 58.829 61.300 0.012 0.000 1.265 208 I CB 1.578 39.599 38.000 0.034 0.000 1.387 208 I HN -0.134 nan 8.210 nan 0.000 0.475 209 P HA -0.027 nan 4.420 nan 0.000 0.264 209 P C -0.712 176.594 177.300 0.010 0.000 1.183 209 P CA 0.147 63.239 63.100 -0.013 0.000 0.763 209 P CB 0.596 32.268 31.700 -0.046 0.000 0.807 210 S N 2.985 118.700 115.700 0.026 0.000 2.561 210 S HA 0.658 4.553 4.470 -0.958 0.000 0.303 210 S C -0.901 173.715 174.600 0.027 0.000 1.110 210 S CA -0.708 57.514 58.200 0.036 0.000 1.034 210 S CB 0.071 63.300 63.200 0.049 0.000 1.010 210 S HN 0.200 nan 8.310 nan 0.000 0.482 211 I N 4.188 124.745 120.570 -0.022 0.000 2.465 211 I HA 0.501 4.096 4.170 -0.958 0.000 0.291 211 I C -0.913 175.021 176.117 -0.306 0.000 1.014 211 I CA -1.043 60.161 61.300 -0.158 0.000 1.093 211 I CB 2.199 40.037 38.000 -0.270 0.000 1.267 211 I HN 0.290 nan 8.210 nan 0.000 0.431 212 V N 6.183 125.891 119.914 -0.343 0.000 2.384 212 V HA 0.389 3.934 4.120 -0.958 0.000 0.287 212 V C -0.697 175.184 176.094 -0.354 0.000 1.020 212 V CA -0.494 61.660 62.300 -0.242 0.000 0.850 212 V CB 1.248 33.012 31.823 -0.099 0.000 0.987 212 V HN 0.368 nan 8.190 nan 0.000 0.436 213 F N 6.082 126.059 119.950 0.045 0.000 2.361 213 F HA 0.717 4.669 4.527 -0.960 0.000 0.364 213 F C 0.014 175.839 175.800 0.041 0.000 1.120 213 F CA -0.421 57.599 58.000 0.033 0.000 1.102 213 F CB 0.944 39.962 39.000 0.030 0.000 1.183 213 F HN 0.193 nan 8.300 nan 0.000 0.476 214 L N 4.444 125.772 121.223 0.176 0.000 2.424 214 L HA 0.559 4.324 4.340 -0.958 0.000 0.258 214 L C -2.698 174.241 176.870 0.115 0.000 0.995 214 L CA -2.367 52.560 54.840 0.144 0.000 0.821 214 L CB 2.972 45.086 42.059 0.092 0.000 1.383 214 L HN 0.251 nan 8.230 nan 0.000 0.410 215 P HA 0.124 nan 4.420 nan 0.000 0.276 215 P C 0.086 177.425 177.300 0.065 0.000 1.230 215 P CA -0.126 63.033 63.100 0.100 0.000 0.776 215 P CB 1.278 33.056 31.700 0.129 0.000 0.888 216 A N 4.485 127.333 122.820 0.046 0.000 1.927 216 A HA -0.255 3.489 4.320 -0.958 0.000 0.220 216 A C 1.739 179.338 177.584 0.025 0.000 1.185 216 A CA 2.187 54.240 52.037 0.026 0.000 0.639 216 A CB -1.404 17.608 19.000 0.020 0.000 0.820 216 A HN 0.721 nan 8.150 nan 0.000 0.451 217 N N -1.257 117.463 118.700 0.033 0.000 2.609 217 N HA -0.087 4.078 4.740 -0.958 0.000 0.190 217 N C 0.621 176.148 175.510 0.027 0.000 1.157 217 N CA 0.872 53.938 53.050 0.027 0.000 0.918 217 N CB -0.061 38.444 38.487 0.029 0.000 0.978 217 N HN 0.297 nan 8.380 nan 0.000 0.448 218 K N 0.239 120.660 120.400 0.036 0.000 2.374 218 K HA 0.256 4.001 4.320 -0.958 0.000 0.202 218 K C 0.056 176.671 176.600 0.025 0.000 1.040 218 K CA -0.440 55.867 56.287 0.034 0.000 1.085 218 K CB 0.822 33.356 32.500 0.058 0.000 0.873 218 K HN 0.148 nan 8.250 nan 0.000 0.539 219 I N 1.690 122.270 120.570 0.016 0.000 2.452 219 I HA 0.073 3.668 4.170 -0.958 0.000 0.287 219 I C 0.761 176.876 176.117 -0.003 0.000 1.079 219 I CA 0.308 61.610 61.300 0.003 0.000 1.387 219 I CB 0.545 38.541 38.000 -0.008 0.000 1.404 219 I HN -0.065 nan 8.210 nan 0.000 0.522 223 Q N 0.008 119.791 119.800 -0.028 0.000 2.297 223 Q HA 0.188 3.953 4.340 -0.958 0.000 0.204 223 Q C 0.996 176.984 176.000 -0.021 0.000 0.962 223 Q CA 1.226 57.013 55.803 -0.027 0.000 0.879 223 Q CB 0.007 28.737 28.738 -0.014 0.000 0.947 223 Q HN 0.689 nan 8.270 nan 0.000 0.462 224 L N -0.276 120.935 121.223 -0.020 0.000 2.728 224 L HA 0.078 3.843 4.340 -0.958 0.000 0.238 224 L C 1.780 178.637 176.870 -0.021 0.000 1.143 224 L CA -0.207 54.622 54.840 -0.018 0.000 0.937 224 L CB 0.384 42.429 42.059 -0.022 0.000 1.225 224 L HN 0.031 nan 8.230 nan 0.000 0.507 225 V N 0.287 120.186 119.914 -0.025 0.000 2.324 225 V HA -0.363 3.182 4.120 -0.958 0.000 0.250 225 V C 2.280 178.362 176.094 -0.020 0.000 1.060 225 V CA 2.201 64.487 62.300 -0.025 0.000 1.042 225 V CB 0.012 31.817 31.823 -0.030 0.000 0.650 225 V HN 0.616 nan 8.190 nan 0.000 0.450 226 Q N -0.518 119.272 119.800 -0.017 0.000 2.020 226 Q HA -0.098 3.667 4.340 -0.958 0.000 0.198 226 Q C 0.201 176.201 176.000 0.000 0.000 0.974 226 Q CA 1.982 57.780 55.803 -0.008 0.000 0.829 226 Q CB -1.217 27.517 28.738 -0.006 0.000 0.894 226 Q HN 0.549 nan 8.270 nan 0.000 0.433 227 P HA -0.164 nan 4.420 nan 0.000 0.216 227 P C 1.093 178.391 177.300 -0.002 0.000 1.150 227 P CA 1.207 64.311 63.100 0.006 0.000 0.837 227 P CB -0.025 31.677 31.700 0.003 0.000 0.786 228 I N -0.688 119.874 120.570 -0.013 0.000 2.163 228 I HA -0.238 3.357 4.170 -0.958 0.000 0.240 228 I C 2.311 178.422 176.117 -0.009 0.000 1.081 228 I CA 1.523 62.812 61.300 -0.018 0.000 1.353 228 I CB -0.798 37.187 38.000 -0.026 0.000 1.054 228 I HN -0.094 nan 8.210 nan 0.000 0.407 229 A N 0.510 123.324 122.820 -0.010 0.000 1.972 229 A HA -0.216 3.529 4.320 -0.958 0.000 0.219 229 A C 1.807 179.389 177.584 -0.004 0.000 1.169 229 A CA 1.843 53.875 52.037 -0.008 0.000 0.635 229 A CB -1.020 17.974 19.000 -0.010 0.000 0.810 229 A HN 0.545 nan 8.150 nan 0.000 0.446 230 N N -0.807 117.894 118.700 0.002 0.000 2.434 230 N HA 0.261 4.426 4.740 -0.958 0.000 0.196 230 N C 0.901 176.417 175.510 0.011 0.000 1.183 230 N CA 0.328 53.382 53.050 0.006 0.000 0.849 230 N CB 0.042 38.538 38.487 0.015 0.000 0.992 230 N HN 0.610 nan 8.380 nan 0.000 0.460 231 G N 0.453 109.260 108.800 0.012 0.000 2.155 231 G HA2 -0.332 3.053 3.960 -0.958 0.000 0.257 231 G HA3 -0.332 3.053 3.960 -0.958 0.000 0.257 231 G C 0.286 175.213 174.900 0.045 0.000 0.983 231 G CA 0.179 45.294 45.100 0.025 0.000 0.676 231 G HN 0.518 nan 8.290 nan 0.000 0.528 232 A N -0.440 122.402 122.820 0.036 0.000 2.466 232 A HA 0.554 4.298 4.320 -0.958 0.000 0.238 232 A C 0.057 177.689 177.584 0.080 0.000 1.074 232 A CA 0.093 52.159 52.037 0.049 0.000 0.774 232 A CB 0.283 19.294 19.000 0.018 0.000 1.015 232 A HN 1.258 nan 8.150 nan 0.000 0.498 233 F N 3.249 123.150 119.950 -0.081 0.000 2.368 233 F HA 0.433 4.385 4.527 -0.959 0.000 0.362 233 F C -0.140 175.578 175.800 -0.136 0.000 1.137 233 F CA -0.537 57.406 58.000 -0.096 0.000 1.161 233 F CB 0.552 39.489 39.000 -0.106 0.000 1.265 233 F HN 0.212 nan 8.300 nan 0.000 0.530 234 V N 7.889 127.568 119.914 -0.392 0.000 2.348 234 V HA 0.206 3.751 4.120 -0.958 0.000 0.270 234 V C 0.189 176.015 176.094 -0.447 0.000 1.037 234 V CA -0.660 61.438 62.300 -0.335 0.000 0.872 234 V CB 0.943 32.651 31.823 -0.191 0.000 1.002 234 V HN 0.503 nan 8.190 nan 0.000 0.464 235 L N 4.130 125.127 121.223 -0.377 0.000 2.265 235 L HA 0.384 4.149 4.340 -0.958 0.000 0.288 235 L C 0.645 177.450 176.870 -0.108 0.000 1.058 235 L CA 0.155 54.836 54.840 -0.266 0.000 0.809 235 L CB 1.554 43.526 42.059 -0.145 0.000 1.179 235 L HN 0.619 nan 8.230 nan 0.000 0.429 236 S N 5.368 121.012 115.700 -0.093 0.000 2.464 236 S HA 0.493 4.388 4.470 -0.958 0.000 0.313 236 S C -0.209 174.391 174.600 -0.000 0.000 1.078 236 S CA -0.604 57.576 58.200 -0.035 0.000 1.096 236 S CB -0.275 62.899 63.200 -0.044 0.000 1.032 236 S HN 0.380 nan 8.310 nan 0.000 0.498 237 I N 3.624 124.215 120.570 0.035 0.000 2.331 237 I HA 0.225 3.820 4.170 -0.958 0.000 0.292 237 I C 0.158 176.301 176.117 0.042 0.000 0.998 237 I CA -0.723 60.607 61.300 0.050 0.000 1.267 237 I CB 1.230 39.279 38.000 0.082 0.000 1.386 237 I HN 0.454 nan 8.210 nan 0.000 0.476 238 D N 5.363 125.783 120.400 0.033 0.000 2.498 238 D HA 0.197 4.262 4.640 -0.958 0.000 0.229 238 D C -0.173 176.146 176.300 0.032 0.000 1.188 238 D CA 0.579 54.596 54.000 0.029 0.000 1.028 238 D CB 0.251 41.065 40.800 0.023 0.000 1.087 238 D HN 0.666 nan 8.370 nan 0.000 0.510 239 T N 1.485 116.062 114.554 0.039 0.000 2.660 239 T HA 0.283 4.058 4.350 -0.958 0.000 0.299 239 T C -1.707 173.026 174.700 0.056 0.000 1.763 239 T CA -0.603 61.520 62.100 0.039 0.000 0.959 239 T CB 0.282 69.168 68.868 0.029 0.000 1.935 239 T HN 0.312 nan 8.240 nan 0.000 0.470 240 D N -0.000 120.438 120.400 0.063 0.000 2.564 240 D HA 0.412 4.477 4.640 -0.958 0.000 0.273 240 D C 1.120 177.506 176.300 0.143 0.000 1.192 240 D CA -0.735 53.328 54.000 0.105 0.000 1.080 240 D CB -0.139 40.722 40.800 0.101 0.000 1.160 240 D HN 0.323 nan 8.370 nan 0.000 0.607 241 F N 0.517 120.482 119.950 0.024 0.000 2.091 241 F HA -0.198 3.753 4.527 -0.960 0.000 0.299 241 F C 1.623 177.434 175.800 0.019 0.000 1.103 241 F CA 1.910 59.926 58.000 0.026 0.000 1.228 241 F CB -0.286 38.730 39.000 0.027 0.000 0.984 241 F HN 0.233 nan 8.300 nan 0.000 0.477 242 D N -0.212 120.210 120.400 0.036 0.000 2.097 242 D HA -0.145 3.920 4.640 -0.958 0.000 0.195 242 D C 2.464 178.704 176.300 -0.101 0.000 0.989 242 D CA 1.601 55.557 54.000 -0.073 0.000 0.827 242 D CB -1.112 39.701 40.800 0.022 0.000 0.966 242 D HN 0.447 nan 8.370 nan 0.000 0.456 243 G N 0.369 109.145 108.800 -0.040 0.000 2.448 243 G HA2 -0.193 3.192 3.960 -0.958 0.000 0.219 243 G HA3 -0.193 3.192 3.960 -0.958 0.000 0.219 243 G C 1.085 175.942 174.900 -0.072 0.000 1.127 243 G CA 0.408 45.484 45.100 -0.040 0.000 0.766 243 G HN 0.305 nan 8.290 nan 0.000 0.552 247 L N 2.344 123.481 121.223 -0.145 0.000 2.056 247 L HA 0.029 3.794 4.340 -0.958 0.000 0.207 247 L C 2.115 178.830 176.870 -0.258 0.000 1.078 247 L CA 1.693 56.444 54.840 -0.148 0.000 0.749 247 L CB -0.725 41.270 42.059 -0.106 0.000 0.901 247 L HN 0.351 nan 8.230 nan 0.000 0.433 248 I N -0.720 119.617 120.570 -0.389 0.000 2.179 248 I HA -0.354 3.241 4.170 -0.958 0.000 0.242 248 I C 2.703 178.627 176.117 -0.321 0.000 1.088 248 I CA 1.176 62.124 61.300 -0.587 0.000 1.357 248 I CB -0.361 37.296 38.000 -0.572 0.000 1.051 248 I HN 0.241 nan 8.210 nan 0.000 0.409 249 R N 1.063 121.436 120.500 -0.212 0.000 2.091 249 R HA -0.211 3.554 4.340 -0.958 0.000 0.238 249 R C 2.180 178.420 176.300 -0.100 0.000 1.136 249 R CA 1.763 57.786 56.100 -0.128 0.000 0.959 249 R CB -0.093 30.145 30.300 -0.103 0.000 0.856 249 R HN 0.394 nan 8.270 nan 0.000 0.437 250 E N -0.123 120.014 120.200 -0.105 0.000 2.072 250 E HA -0.174 3.601 4.350 -0.958 0.000 0.191 250 E C 1.975 178.538 176.600 -0.061 0.000 0.985 250 E CA 1.071 57.430 56.400 -0.069 0.000 0.801 250 E CB 0.012 29.676 29.700 -0.060 0.000 0.750 250 E HN 0.297 nan 8.360 nan 0.000 0.452 251 I N 1.396 121.909 120.570 -0.095 0.000 2.179 251 I HA -0.222 3.373 4.170 -0.958 0.000 0.242 251 I C 2.800 178.901 176.117 -0.026 0.000 1.088 251 I CA 1.834 63.101 61.300 -0.055 0.000 1.357 251 I CB -1.680 36.269 38.000 -0.086 0.000 1.051 251 I HN 0.243 nan 8.210 nan 0.000 0.409 252 T N -0.721 113.802 114.554 -0.052 0.000 3.007 252 T HA 0.041 3.816 4.350 -0.958 0.000 0.270 252 T C 1.900 176.609 174.700 0.014 0.000 1.107 252 T CA 0.896 62.998 62.100 0.004 0.000 1.118 252 T CB -0.337 68.537 68.868 0.010 0.000 0.889 252 T HN 0.281 nan 8.240 nan 0.000 0.506 253 A N 1.260 124.075 122.820 -0.007 0.000 2.014 253 A HA 0.086 3.831 4.320 -0.958 0.000 0.218 253 A C 2.150 179.739 177.584 0.009 0.000 1.163 253 A CA 1.367 53.404 52.037 0.001 0.000 0.652 253 A CB -0.431 18.562 19.000 -0.012 0.000 0.808 253 A HN 0.655 nan 8.150 nan 0.000 0.449 254 E N -1.464 118.740 120.200 0.006 0.000 2.490 254 E HA 0.300 4.075 4.350 -0.958 0.000 0.209 254 E C -0.349 176.258 176.600 0.012 0.000 0.971 254 E CA -0.179 56.227 56.400 0.009 0.000 0.988 254 E CB 0.242 29.946 29.700 0.006 0.000 1.029 254 E HN 0.494 nan 8.360 nan 0.000 0.496 255 L N 1.533 122.766 121.223 0.017 0.000 2.362 255 L HA 0.464 4.229 4.340 -0.958 0.000 0.271 255 L C -2.447 174.429 176.870 0.010 0.000 1.002 255 L CA -2.543 52.305 54.840 0.013 0.000 0.818 255 L CB 2.060 44.133 42.059 0.023 0.000 1.298 255 L HN -0.135 nan 8.230 nan 0.000 0.420 256 P HA 0.285 nan 4.420 nan 0.000 0.263 256 P C -0.952 176.255 177.300 -0.155 0.000 1.601 256 P CA 0.411 63.466 63.100 -0.074 0.000 1.161 256 P CB -0.146 31.497 31.700 -0.096 0.000 1.730 257 I N 3.821 124.347 120.570 -0.075 0.000 2.497 257 I HA 0.258 3.853 4.170 -0.958 0.000 0.284 257 I C -0.490 175.701 176.117 0.123 0.000 1.060 257 I CA -1.078 60.200 61.300 -0.036 0.000 1.071 257 I CB 1.434 39.489 38.000 0.091 0.000 1.216 257 I HN 0.089 nan 8.210 nan 0.000 0.442 258 Y N 5.697 126.044 120.300 0.079 0.000 2.309 258 Y HA 0.437 4.413 4.550 -0.957 0.000 0.327 258 Y C 0.320 176.273 175.900 0.088 0.000 1.172 258 Y CA -1.032 57.111 58.100 0.071 0.000 1.280 258 Y CB 0.689 39.189 38.460 0.067 0.000 1.234 258 Y HN 0.316 nan 8.280 nan 0.000 0.512 259 L N 2.542 123.912 121.223 0.246 0.000 2.334 259 L HA 0.383 4.148 4.340 -0.958 0.000 0.277 259 L C 1.348 178.306 176.870 0.146 0.000 1.075 259 L CA -0.549 54.397 54.840 0.177 0.000 0.804 259 L CB 1.277 43.410 42.059 0.122 0.000 1.174 259 L HN 0.870 nan 8.230 nan 0.000 0.438 260 A N 3.125 126.030 122.820 0.141 0.000 1.859 260 A HA -0.220 3.525 4.320 -0.958 0.000 0.218 260 A C 1.483 179.117 177.584 0.084 0.000 1.209 260 A CA 1.861 53.966 52.037 0.112 0.000 0.639 260 A CB -0.507 18.559 19.000 0.110 0.000 0.835 260 A HN 0.875 nan 8.150 nan 0.000 0.450 261 N N -0.103 118.645 118.700 0.081 0.000 2.471 261 N HA 0.014 4.179 4.740 -0.958 0.000 0.205 261 N C 1.227 176.760 175.510 0.038 0.000 1.251 261 N CA 0.827 53.913 53.050 0.060 0.000 0.843 261 N CB 0.264 38.794 38.487 0.070 0.000 1.044 261 N HN 0.556 nan 8.380 nan 0.000 0.461 262 S N 0.052 115.773 115.700 0.035 0.000 2.412 262 S HA 0.105 4.000 4.470 -0.958 0.000 0.223 262 S C 1.018 175.598 174.600 -0.033 0.000 1.048 262 S CA 0.138 58.337 58.200 -0.002 0.000 0.954 262 S CB 0.237 63.441 63.200 0.007 0.000 0.840 262 S HN 0.110 nan 8.310 nan 0.000 0.503 263 L N 3.407 124.624 121.223 -0.009 0.000 2.888 263 L HA 0.388 4.153 4.340 -0.958 0.000 0.237 263 L C 1.584 178.468 176.870 0.023 0.000 1.288 263 L CA 0.012 54.851 54.840 -0.001 0.000 1.110 263 L CB -0.744 41.330 42.059 0.025 0.000 1.441 263 L HN 0.317 nan 8.230 nan 0.000 0.474 264 N N 0.159 118.865 118.700 0.011 0.000 2.094 264 N HA -0.251 3.914 4.740 -0.958 0.000 0.191 264 N C 2.044 177.572 175.510 0.031 0.000 1.023 264 N CA 1.752 54.813 53.050 0.018 0.000 0.857 264 N CB 0.294 38.788 38.487 0.012 0.000 1.013 264 N HN 0.447 nan 8.380 nan 0.000 0.426 265 S N 0.189 115.921 115.700 0.052 0.000 2.387 265 S HA -0.122 3.773 4.470 -0.958 0.000 0.230 265 S C 1.974 176.633 174.600 0.099 0.000 1.035 265 S CA 0.722 58.988 58.200 0.110 0.000 1.014 265 S CB -0.281 63.036 63.200 0.194 0.000 0.836 265 S HN 0.272 nan 8.310 nan 0.000 0.466 266 L N 2.774 124.047 121.223 0.083 0.000 2.093 266 L HA 0.017 3.781 4.340 -0.958 0.000 0.208 266 L C 2.551 179.380 176.870 -0.069 0.000 1.085 266 L CA 2.022 56.847 54.840 -0.026 0.000 0.755 266 L CB -0.824 41.223 42.059 -0.019 0.000 0.904 266 L HN 0.521 nan 8.230 nan 0.000 0.435 267 R N -0.943 119.525 120.500 -0.053 0.000 2.189 267 R HA -0.122 3.643 4.340 -0.958 0.000 0.223 267 R C 1.958 178.176 176.300 -0.137 0.000 1.092 267 R CA 1.316 57.351 56.100 -0.109 0.000 0.989 267 R CB -0.841 29.404 30.300 -0.092 0.000 0.876 267 R HN 0.339 nan 8.270 nan 0.000 0.457 268 L N 0.942 122.124 121.223 -0.068 0.000 2.201 268 L HA -0.066 3.699 4.340 -0.958 0.000 0.212 268 L C 2.152 178.948 176.870 -0.124 0.000 1.105 268 L CA 0.889 55.694 54.840 -0.060 0.000 0.775 268 L CB -0.386 41.705 42.059 0.053 0.000 0.913 268 L HN 0.177 nan 8.230 nan 0.000 0.440 269 E N 0.428 120.557 120.200 -0.119 0.000 2.106 269 E HA -0.127 3.648 4.350 -0.958 0.000 0.192 269 E C 2.182 178.630 176.600 -0.254 0.000 0.984 269 E CA 1.290 57.608 56.400 -0.138 0.000 0.806 269 E CB -0.289 29.353 29.700 -0.098 0.000 0.750 269 E HN 0.500 nan 8.360 nan 0.000 0.458 270 G N 0.863 109.479 108.800 -0.307 0.000 2.404 270 G HA2 -0.253 3.132 3.960 -0.958 0.000 0.213 270 G HA3 -0.253 3.132 3.960 -0.958 0.000 0.213 270 G C 1.541 176.189 174.900 -0.420 0.000 1.189 270 G CA 0.334 45.183 45.100 -0.417 0.000 0.796 270 G HN 0.227 nan 8.290 nan 0.000 0.532 271 Q N 0.500 120.050 119.800 -0.416 0.000 2.197 271 Q HA -0.166 3.599 4.340 -0.958 0.000 0.207 271 Q C 2.452 178.205 176.000 -0.411 0.000 0.984 271 Q CA 1.678 57.197 55.803 -0.473 0.000 0.869 271 Q CB -0.178 28.322 28.738 -0.397 0.000 0.906 271 Q HN 0.708 nan 8.270 nan 0.000 0.426 272 K N 0.253 120.426 120.400 -0.378 0.000 2.362 272 K HA -0.096 3.649 4.320 -0.958 0.000 0.200 272 K C 1.766 178.086 176.600 -0.465 0.000 1.046 272 K CA 1.650 57.674 56.287 -0.438 0.000 0.952 272 K CB -0.269 32.037 32.500 -0.323 0.000 0.753 272 K HN 0.168 nan 8.250 nan 0.000 0.466 273 T N -1.944 112.361 114.554 -0.416 0.000 2.962 273 T HA 0.072 3.847 4.350 -0.958 0.000 0.270 273 T C 2.123 176.595 174.700 -0.380 0.000 1.088 273 T CA 0.660 62.520 62.100 -0.400 0.000 1.127 273 T CB -0.129 68.485 68.868 -0.424 0.000 0.883 273 T HN 0.305 nan 8.240 nan 0.000 0.493 274 A N 1.637 124.222 122.820 -0.392 0.000 1.972 274 A HA 0.333 4.078 4.320 -0.958 0.000 0.219 274 A C 2.776 180.183 177.584 -0.294 0.000 1.169 274 A CA 1.659 53.535 52.037 -0.269 0.000 0.635 274 A CB -1.270 17.650 19.000 -0.133 0.000 0.810 274 A HN 0.738 nan 8.150 nan 0.000 0.446 275 A N 0.054 122.523 122.820 -0.584 0.000 1.897 275 A HA -0.013 3.732 4.320 -0.958 0.000 0.215 275 A C 2.078 179.366 177.584 -0.492 0.000 1.181 275 A CA 1.351 52.956 52.037 -0.720 0.000 0.620 275 A CB -0.567 17.613 19.000 -1.367 0.000 0.821 275 A HN 0.484 nan 8.150 nan 0.000 0.443 276 I N -0.600 119.748 120.570 -0.370 0.000 2.208 276 I HA -0.268 3.326 4.170 -0.958 0.000 0.245 276 I C 2.527 178.518 176.117 -0.210 0.000 1.097 276 I CA 1.767 62.969 61.300 -0.164 0.000 1.363 276 I CB -0.396 37.489 38.000 -0.191 0.000 1.051 276 I HN 0.478 nan 8.210 nan 0.000 0.413 277 E N 1.354 121.396 120.200 -0.264 0.000 2.077 277 E HA -0.218 3.557 4.350 -0.958 0.000 0.193 277 E C 2.334 178.767 176.600 -0.280 0.000 0.989 277 E CA 1.245 57.480 56.400 -0.275 0.000 0.800 277 E CB -0.000 29.569 29.700 -0.218 0.000 0.746 277 E HN 0.429 nan 8.360 nan 0.000 0.452 278 I N 0.475 120.943 120.570 -0.170 0.000 2.151 278 I HA -0.308 3.287 4.170 -0.958 0.000 0.243 278 I C 2.177 178.188 176.117 -0.178 0.000 1.080 278 I CA 0.649 61.855 61.300 -0.157 0.000 1.339 278 I CB -0.190 37.894 38.000 0.139 0.000 1.039 278 I HN 0.212 nan 8.210 nan 0.000 0.409 279 L N 0.280 121.485 121.223 -0.031 0.000 1.994 279 L HA -0.268 3.497 4.340 -0.958 0.000 0.208 279 L C 2.599 179.137 176.870 -0.553 0.000 1.071 279 L CA 1.823 56.641 54.840 -0.036 0.000 0.745 279 L CB -1.170 41.010 42.059 0.202 0.000 0.892 279 L HN 0.304 nan 8.230 nan 0.000 0.431 280 Q N -0.784 118.416 119.800 -1.000 0.000 2.112 280 Q HA -0.277 3.488 4.340 -0.958 0.000 0.206 280 Q C 2.129 177.669 176.000 -0.766 0.000 0.987 280 Q CA 1.953 56.915 55.803 -1.401 0.000 0.858 280 Q CB -0.061 28.114 28.738 -0.938 0.000 0.905 280 Q HN 0.578 nan 8.270 nan 0.000 0.420 281 Q N -1.081 118.382 119.800 -0.562 0.000 2.291 281 Q HA -0.103 3.662 4.340 -0.958 0.000 0.205 281 Q C 0.514 176.228 176.000 -0.477 0.000 0.970 281 Q CA 0.558 56.064 55.803 -0.495 0.000 0.876 281 Q CB 0.224 28.637 28.738 -0.540 0.000 0.935 281 Q HN 0.321 nan 8.270 nan 0.000 0.455 282 F N 0.584 120.314 119.950 -0.366 0.000 2.660 282 F HA 0.118 4.068 4.527 -0.962 0.000 0.297 282 F C 0.037 175.694 175.800 -0.239 0.000 1.132 282 F CA -0.649 57.161 58.000 -0.316 0.000 1.372 282 F CB -0.068 38.749 39.000 -0.305 0.000 1.003 282 F HN -0.040 nan 8.300 nan 0.000 0.524 283 D N -0.264 120.045 120.400 -0.152 0.000 2.689 283 D HA -0.307 3.758 4.640 -0.958 0.000 0.237 283 D C -0.247 176.075 176.300 0.037 0.000 1.148 283 D CA 0.652 54.585 54.000 -0.112 0.000 0.656 283 D CB -1.406 39.402 40.800 0.015 0.000 1.050 283 D HN 0.481 nan 8.370 nan 0.000 0.426 284 W N -1.737 119.610 121.300 0.078 0.000 5.361 284 W HA -0.261 3.814 4.660 -0.976 0.000 0.385 284 W C 0.360 176.920 176.519 0.070 0.000 1.458 284 W CA 0.282 57.677 57.345 0.082 0.000 0.922 284 W CB -2.012 27.490 29.460 0.069 0.000 2.606 284 W HN 0.341 nan 8.180 nan 0.000 1.450 285 Q N 0.050 119.959 119.800 0.182 0.000 2.322 285 Q HA 0.515 4.280 4.340 -0.958 0.000 0.265 285 Q C 0.030 176.059 176.000 0.049 0.000 0.985 285 Q CA -0.937 54.915 55.803 0.081 0.000 0.849 285 Q CB 2.331 31.056 28.738 -0.022 0.000 1.274 285 Q HN -0.055 nan 8.270 nan 0.000 0.449 286 V N 5.245 125.170 119.914 0.018 0.000 2.508 286 V HA 0.198 3.742 4.120 -0.958 0.000 0.281 286 V C -1.701 174.305 176.094 -0.146 0.000 1.041 286 V CA -1.243 61.036 62.300 -0.035 0.000 1.016 286 V CB 0.200 31.991 31.823 -0.053 0.000 0.984 286 V HN 0.691 nan 8.190 nan 0.000 0.478 287 P HA 0.194 nan 4.420 nan 0.000 0.272 287 P C 0.030 177.202 177.300 -0.212 0.000 1.240 287 P CA -0.300 62.677 63.100 -0.205 0.000 0.791 287 P CB 1.207 32.845 31.700 -0.104 0.000 0.978 288 D N -0.258 120.046 120.400 -0.159 0.000 2.162 288 D HA -0.031 4.034 4.640 -0.958 0.000 0.203 288 D C 0.078 176.091 176.300 -0.478 0.000 0.967 288 D CA 1.617 55.459 54.000 -0.263 0.000 0.840 288 D CB 0.058 40.810 40.800 -0.081 0.000 0.972 288 D HN 0.439 nan 8.370 nan 0.000 0.482 289 W N -0.170 121.089 121.300 -0.069 0.000 3.022 289 W HA 0.471 4.557 4.660 -0.955 0.000 0.335 289 W C -1.099 175.391 176.519 -0.049 0.000 1.133 289 W CA -0.744 56.568 57.345 -0.055 0.000 1.219 289 W CB 1.804 31.253 29.460 -0.019 0.000 1.409 289 W HN -0.481 nan 8.180 nan 0.000 0.507 290 V N 4.629 124.664 119.914 0.203 0.000 2.525 290 V HA 0.434 3.979 4.120 -0.958 0.000 0.299 290 V C -0.411 175.735 176.094 0.086 0.000 1.034 290 V CA -0.884 61.480 62.300 0.107 0.000 0.863 290 V CB 1.482 33.345 31.823 0.066 0.000 0.999 290 V HN 0.399 nan 8.190 nan 0.000 0.423 291 I N 5.325 125.908 120.570 0.022 0.000 2.312 291 I HA 0.433 4.028 4.170 -0.958 0.000 0.290 291 I C -0.548 175.482 176.117 -0.145 0.000 1.008 291 I CA -0.663 60.618 61.300 -0.031 0.000 1.226 291 I CB 1.705 39.691 38.000 -0.023 0.000 1.371 291 I HN 0.271 nan 8.210 nan 0.000 0.468 292 V N 8.421 128.236 119.914 -0.164 0.000 2.334 292 V HA 0.302 3.847 4.120 -0.958 0.000 0.281 292 V C -2.287 173.695 176.094 -0.187 0.000 1.016 292 V CA -1.966 60.182 62.300 -0.254 0.000 0.832 292 V CB 1.311 32.966 31.823 -0.280 0.000 0.999 292 V HN 0.548 nan 8.190 nan 0.000 0.439 293 P HA 0.153 nan 4.420 nan 0.000 0.266 293 P C 0.701 177.834 177.300 -0.279 0.000 1.215 293 P CA 0.262 63.209 63.100 -0.255 0.000 0.763 293 P CB 0.671 32.200 31.700 -0.286 0.000 0.806 294 G N 3.130 111.797 108.800 -0.221 0.000 3.882 294 G HA2 0.234 3.619 3.960 -0.958 0.000 0.283 294 G HA3 0.234 3.619 3.960 -0.958 0.000 0.283 294 G C 1.308 176.120 174.900 -0.147 0.000 1.283 294 G CA -0.022 44.995 45.100 -0.139 0.000 1.402 294 G HN 0.565 nan 8.290 nan 0.000 0.618 295 G N 1.197 109.822 108.800 -0.292 0.000 2.552 295 G HA2 -0.246 3.139 3.960 -0.958 0.000 0.216 295 G HA3 -0.246 3.139 3.960 -0.958 0.000 0.216 295 G C 0.959 175.864 174.900 0.007 0.000 1.240 295 G CA 0.119 45.148 45.100 -0.118 0.000 0.796 295 G HN 0.514 nan 8.290 nan 0.000 0.568 296 N N 1.067 119.792 118.700 0.042 0.000 2.401 296 N HA 0.171 4.336 4.740 -0.958 0.000 0.255 296 N C 1.296 176.852 175.510 0.076 0.000 1.110 296 N CA -0.151 52.949 53.050 0.084 0.000 0.949 296 N CB 1.138 39.705 38.487 0.133 0.000 1.110 296 N HN 0.137 nan 8.380 nan 0.000 0.490 297 L N 2.651 123.913 121.223 0.065 0.000 2.633 297 L HA 0.008 3.773 4.340 -0.958 0.000 0.235 297 L C 2.068 178.997 176.870 0.097 0.000 1.163 297 L CA 0.532 55.411 54.840 0.065 0.000 0.859 297 L CB -0.183 41.904 42.059 0.046 0.000 0.973 297 L HN 0.592 nan 8.230 nan 0.000 0.451 298 G N -0.220 108.650 108.800 0.117 0.000 2.511 298 G HA2 -0.178 3.207 3.960 -0.958 0.000 0.217 298 G HA3 -0.178 3.207 3.960 -0.958 0.000 0.217 298 G C 1.262 176.317 174.900 0.258 0.000 1.133 298 G CA 0.310 45.509 45.100 0.165 0.000 0.792 298 G HN 0.449 nan 8.290 nan 0.000 0.539 299 N N 0.249 119.109 118.700 0.267 0.000 2.018 299 N HA -0.180 3.985 4.740 -0.958 0.000 0.196 299 N C 2.077 177.837 175.510 0.416 0.000 1.043 299 N CA 1.254 54.527 53.050 0.373 0.000 0.856 299 N CB -0.167 38.471 38.487 0.253 0.000 1.042 299 N HN 0.253 nan 8.380 nan 0.000 0.423 300 I N 0.606 121.347 120.570 0.285 0.000 2.264 300 I HA -0.287 3.308 4.170 -0.958 0.000 0.248 300 I C 1.999 178.343 176.117 0.380 0.000 1.111 300 I CA 1.293 62.763 61.300 0.283 0.000 1.382 300 I CB -0.428 37.672 38.000 0.167 0.000 1.060 300 I HN 0.196 nan 8.210 nan 0.000 0.418 301 Y N 1.233 121.668 120.300 0.225 0.000 2.200 301 Y HA -0.087 3.904 4.550 -0.933 0.000 0.290 301 Y C 2.374 178.441 175.900 0.278 0.000 1.137 301 Y CA 1.431 59.681 58.100 0.250 0.000 1.163 301 Y CB -0.854 37.681 38.460 0.125 0.000 0.988 301 Y HN 0.214 nan 8.280 nan 0.000 0.518 302 A N -0.099 122.788 122.820 0.111 0.000 1.883 302 A HA -0.186 3.558 4.320 -0.958 0.000 0.217 302 A C 2.106 179.599 177.584 -0.152 0.000 1.186 302 A CA 1.849 53.839 52.037 -0.079 0.000 0.624 302 A CB -1.482 17.523 19.000 0.007 0.000 0.822 302 A HN 0.488 nan 8.150 nan 0.000 0.444 303 F N -1.723 118.229 119.950 0.003 0.000 2.102 303 F HA -0.163 3.799 4.527 -0.942 0.000 0.298 303 F C 2.257 178.049 175.800 -0.013 0.000 1.105 303 F CA 1.827 59.783 58.000 -0.073 0.000 1.239 303 F CB -0.856 38.194 39.000 0.084 0.000 0.991 303 F HN 0.439 nan 8.300 nan 0.000 0.474 304 Y N 1.175 121.615 120.300 0.232 0.000 2.114 304 Y HA -0.309 3.687 4.550 -0.923 0.000 0.282 304 Y C 2.451 178.372 175.900 0.035 0.000 1.165 304 Y CA 2.088 60.309 58.100 0.202 0.000 1.148 304 Y CB -0.657 37.900 38.460 0.162 0.000 0.972 304 Y HN -0.020 nan 8.280 nan 0.000 0.504 305 K N -0.425 119.780 120.400 -0.325 0.000 2.063 305 K HA -0.155 3.590 4.320 -0.958 0.000 0.208 305 K C 2.313 178.698 176.600 -0.358 0.000 1.048 305 K CA 1.488 57.516 56.287 -0.431 0.000 0.928 305 K CB -0.753 31.476 32.500 -0.452 0.000 0.713 305 K HN 0.533 nan 8.250 nan 0.000 0.442 306 G N -0.014 108.582 108.800 -0.340 0.000 2.404 306 G HA2 -0.201 3.184 3.960 -0.958 0.000 0.215 306 G HA3 -0.201 3.184 3.960 -0.958 0.000 0.215 306 G C 1.183 175.941 174.900 -0.237 0.000 1.174 306 G CA 0.488 45.389 45.100 -0.332 0.000 0.780 306 G HN 0.196 nan 8.290 nan 0.000 0.537 307 F N 1.206 121.096 119.950 -0.099 0.000 2.186 307 F HA 0.186 4.145 4.527 -0.947 0.000 0.299 307 F C 1.763 177.477 175.800 -0.143 0.000 1.090 307 F CA 0.542 58.509 58.000 -0.054 0.000 1.307 307 F CB -0.458 38.534 39.000 -0.012 0.000 1.019 307 F HN -0.026 nan 8.300 nan 0.000 0.489 311 Q N 1.695 121.519 119.800 0.041 0.000 2.096 311 Q HA -0.090 3.675 4.340 -0.958 0.000 0.197 311 Q C 1.605 177.598 176.000 -0.013 0.000 0.964 311 Q CA 1.588 57.407 55.803 0.026 0.000 0.838 311 Q CB -0.053 28.698 28.738 0.023 0.000 0.906 311 Q HN 0.715 nan 8.270 nan 0.000 0.444 312 E N 0.285 120.448 120.200 -0.060 0.000 2.153 312 E HA -0.122 3.653 4.350 -0.958 0.000 0.194 312 E C 1.725 178.283 176.600 -0.070 0.000 0.988 312 E CA 0.815 57.172 56.400 -0.071 0.000 0.811 312 E CB 0.073 29.705 29.700 -0.112 0.000 0.746 312 E HN 0.357 nan 8.360 nan 0.000 0.466 313 L N -0.439 120.722 121.223 -0.104 0.000 2.611 313 L HA 0.167 3.932 4.340 -0.958 0.000 0.229 313 L C 1.222 178.138 176.870 0.077 0.000 1.137 313 L CA 0.208 55.023 54.840 -0.041 0.000 0.901 313 L CB 0.199 42.135 42.059 -0.205 0.000 1.098 313 L HN 0.255 nan 8.230 nan 0.000 0.456 314 G N -0.328 108.498 108.800 0.043 0.000 2.148 314 G HA2 -0.278 3.107 3.960 -0.958 0.000 0.254 314 G HA3 -0.278 3.107 3.960 -0.958 0.000 0.254 314 G C 0.936 175.857 174.900 0.035 0.000 0.981 314 G CA 0.239 45.368 45.100 0.049 0.000 0.670 314 G HN 0.203 nan 8.290 nan 0.000 0.528 315 L N -0.562 120.680 121.223 0.032 0.000 2.093 315 L HA 0.119 3.884 4.340 -0.958 0.000 0.208 315 L C 1.781 178.634 176.870 -0.028 0.000 1.085 315 L CA 2.469 57.252 54.840 -0.095 0.000 0.755 315 L CB -1.398 40.575 42.059 -0.143 0.000 0.904 315 L HN 0.726 nan 8.230 nan 0.000 0.435 316 V N -5.333 114.623 119.914 0.070 0.000 3.160 316 V HA 0.466 4.011 4.120 -0.958 0.000 0.310 316 V C 0.074 176.206 176.094 0.064 0.000 1.181 316 V CA -0.847 61.515 62.300 0.104 0.000 1.047 316 V CB 2.236 34.169 31.823 0.184 0.000 1.068 316 V HN -0.070 nan 8.190 nan 0.000 0.441 317 D N 0.497 120.926 120.400 0.049 0.000 2.369 317 D HA 0.197 4.262 4.640 -0.958 0.000 0.211 317 D C 0.590 176.898 176.300 0.013 0.000 1.077 317 D CA 0.366 54.382 54.000 0.026 0.000 0.842 317 D CB 0.645 41.455 40.800 0.017 0.000 0.947 317 D HN 0.770 nan 8.370 nan 0.000 0.509 318 R N 0.239 120.748 120.500 0.014 0.000 2.733 318 R HA 0.556 4.321 4.340 -0.958 0.000 0.272 318 R C -0.996 175.291 176.300 -0.022 0.000 1.029 318 R CA -0.865 55.228 56.100 -0.013 0.000 0.888 318 R CB 1.040 31.315 30.300 -0.042 0.000 1.251 318 R HN -0.077 nan 8.270 nan 0.000 0.464 319 I N -1.215 119.323 120.570 -0.054 0.000 2.750 319 I HA 0.673 4.268 4.170 -0.958 0.000 0.308 319 I C -2.482 173.503 176.117 -0.220 0.000 1.016 319 I CA -2.751 58.489 61.300 -0.099 0.000 1.098 319 I CB 2.294 40.292 38.000 -0.004 0.000 1.279 319 I HN 0.510 nan 8.210 nan 0.000 0.454 320 P HA 0.373 nan 4.420 nan 0.000 0.278 320 P C -0.938 176.142 177.300 -0.367 0.000 1.258 320 P CA -0.473 62.367 63.100 -0.434 0.000 0.811 320 P CB 1.145 32.504 31.700 -0.568 0.000 1.063 324 C N 5.535 124.831 119.300 -0.006 0.000 2.246 324 C HA 0.831 4.716 4.460 -0.958 0.000 0.329 324 C C 0.913 175.878 174.990 -0.041 0.000 1.221 324 C CA 0.112 59.123 59.018 -0.012 0.000 1.697 324 C CB -0.522 27.236 27.740 0.029 0.000 2.312 324 C HN 1.198 nan 8.230 nan 0.000 0.509 325 A N 7.215 129.993 122.820 -0.069 0.000 2.269 325 A HA 0.638 4.383 4.320 -0.958 0.000 0.302 325 A C -0.303 177.225 177.584 -0.093 0.000 1.266 325 A CA -0.117 51.869 52.037 -0.085 0.000 0.894 325 A CB 0.387 19.332 19.000 -0.092 0.000 1.147 325 A HN 0.893 nan 8.150 nan 0.000 0.537 326 Q N 0.781 120.530 119.800 -0.085 0.000 2.348 326 Q HA 0.637 4.402 4.340 -0.958 0.000 0.271 326 Q C -0.165 175.788 176.000 -0.077 0.000 1.067 326 Q CA -0.580 55.181 55.803 -0.070 0.000 0.839 326 Q CB 2.171 30.893 28.738 -0.028 0.000 1.354 326 Q HN 0.833 nan 8.270 nan 0.000 0.447 327 A N 0.920 123.717 122.820 -0.038 0.000 2.371 327 A HA 0.585 4.330 4.320 -0.958 0.000 0.257 327 A C 0.057 177.613 177.584 -0.047 0.000 1.089 327 A CA 0.026 52.046 52.037 -0.028 0.000 0.794 327 A CB 0.188 19.198 19.000 0.017 0.000 1.029 327 A HN 0.745 nan 8.150 nan 0.000 0.488 328 A N 2.886 125.668 122.820 -0.063 0.000 2.567 328 A HA 0.333 4.078 4.320 -0.958 0.000 0.240 328 A C 0.816 178.391 177.584 -0.016 0.000 1.053 328 A CA 0.447 52.444 52.037 -0.067 0.000 0.755 328 A CB -0.505 18.462 19.000 -0.056 0.000 0.978 328 A HN 1.383 nan 8.150 nan 0.000 0.507 329 N N -0.046 118.659 118.700 0.008 0.000 2.741 329 N HA -0.268 3.897 4.740 -0.958 0.000 0.250 329 N C 0.861 176.396 175.510 0.042 0.000 1.115 329 N CA 1.241 54.314 53.050 0.039 0.000 0.724 329 N CB -1.687 36.818 38.487 0.030 0.000 1.090 329 N HN 1.038 nan 8.380 nan 0.000 0.558 330 A N -0.134 122.711 122.820 0.042 0.000 1.968 330 A HA 0.038 3.783 4.320 -0.958 0.000 0.217 330 A C 1.024 178.649 177.584 0.068 0.000 1.169 330 A CA 2.042 54.108 52.037 0.049 0.000 0.638 330 A CB -0.071 18.954 19.000 0.042 0.000 0.812 330 A HN 0.783 nan 8.150 nan 0.000 0.446 331 N N -3.771 114.982 118.700 0.089 0.000 3.356 331 N HA 0.272 4.437 4.740 -0.958 0.000 0.246 331 N C -2.848 172.746 175.510 0.141 0.000 1.480 331 N CA -0.598 52.519 53.050 0.112 0.000 0.877 331 N CB 0.272 38.830 38.487 0.119 0.000 1.431 331 N HN -0.174 nan 8.380 nan 0.000 0.500 332 P HA 0.020 nan 4.420 nan 0.000 0.242 332 P C 1.097 178.552 177.300 0.257 0.000 1.197 332 P CA 0.153 63.347 63.100 0.157 0.000 0.765 332 P CB 0.282 32.087 31.700 0.176 0.000 0.936 333 L N -0.099 121.312 121.223 0.313 0.000 2.013 333 L HA -0.214 3.550 4.340 -0.958 0.000 0.212 333 L C 2.600 179.676 176.870 0.343 0.000 1.073 333 L CA 1.882 56.947 54.840 0.376 0.000 0.753 333 L CB -1.574 40.655 42.059 0.284 0.000 0.890 333 L HN -0.106 nan 8.230 nan 0.000 0.432 334 Y N -0.426 119.957 120.300 0.138 0.000 2.128 334 Y HA -0.272 3.702 4.550 -0.960 0.000 0.284 334 Y C 2.244 178.177 175.900 0.054 0.000 1.154 334 Y CA 1.984 60.145 58.100 0.102 0.000 1.149 334 Y CB -0.479 38.017 38.460 0.060 0.000 0.976 334 Y HN 0.195 nan 8.280 nan 0.000 0.505 335 L N -0.964 120.200 121.223 -0.098 0.000 1.989 335 L HA -0.317 3.448 4.340 -0.958 0.000 0.211 335 L C 2.666 179.358 176.870 -0.296 0.000 1.071 335 L CA 1.724 56.398 54.840 -0.277 0.000 0.749 335 L CB -0.999 40.929 42.059 -0.219 0.000 0.890 335 L HN 0.311 nan 8.230 nan 0.000 0.431 336 H N -1.245 117.783 119.070 -0.069 0.000 2.353 336 H HA -0.261 3.720 4.556 -0.958 0.000 0.298 336 H C 2.109 177.096 175.328 -0.570 0.000 1.103 336 H CA 2.222 58.225 56.048 -0.074 0.000 1.293 336 H CB -0.515 29.416 29.762 0.282 0.000 1.372 336 H HN 0.384 nan 8.280 nan 0.000 0.501 337 Y N 2.123 121.943 120.300 -0.801 0.000 2.181 337 Y HA -0.178 3.798 4.550 -0.958 0.000 0.288 337 Y C 2.143 177.551 175.900 -0.820 0.000 1.146 337 Y CA 1.353 58.643 58.100 -1.350 0.000 1.164 337 Y CB -0.022 38.008 38.460 -0.716 0.000 0.982 337 Y HN -0.132 nan 8.280 nan 0.000 0.515 338 K N 0.341 120.240 120.400 -0.834 0.000 2.211 338 K HA -0.068 3.677 4.320 -0.958 0.000 0.203 338 K C 1.894 178.156 176.600 -0.564 0.000 1.050 338 K CA 1.269 57.102 56.287 -0.757 0.000 0.945 338 K CB -0.715 31.411 32.500 -0.624 0.000 0.732 338 K HN 0.498 nan 8.250 nan 0.000 0.451 339 S N -0.559 114.868 115.700 -0.455 0.000 2.679 339 S HA 0.189 4.084 4.470 -0.958 0.000 0.233 339 S C 1.109 175.544 174.600 -0.274 0.000 0.951 339 S CA 0.320 58.354 58.200 -0.277 0.000 0.973 339 S CB -0.174 62.944 63.200 -0.138 0.000 0.778 339 S HN 0.352 nan 8.310 nan 0.000 0.477 340 G N 0.591 109.091 108.800 -0.499 0.000 2.203 340 G HA2 -0.329 3.056 3.960 -0.958 0.000 0.263 340 G HA3 -0.329 3.056 3.960 -0.958 0.000 0.263 340 G C 0.355 175.147 174.900 -0.181 0.000 1.012 340 G CA 0.165 45.010 45.100 -0.425 0.000 0.749 340 G HN 0.845 nan 8.290 nan 0.000 0.512 341 W N -2.475 118.849 121.300 0.040 0.000 1.839 341 W HA -0.343 3.745 4.660 -0.953 0.000 0.248 341 W C 1.975 178.580 176.519 0.142 0.000 0.999 341 W CA 0.968 58.376 57.345 0.106 0.000 0.444 341 W CB -1.533 27.965 29.460 0.064 0.000 2.008 341 W HN 0.478 nan 8.180 nan 0.000 1.324 342 K N 0.283 120.829 120.400 0.243 0.000 2.089 342 K HA -0.206 3.539 4.320 -0.958 0.000 0.210 342 K C 0.740 177.454 176.600 0.190 0.000 1.048 342 K CA 2.091 58.484 56.287 0.176 0.000 0.926 342 K CB -0.405 32.147 32.500 0.086 0.000 0.714 342 K HN 0.235 nan 8.250 nan 0.000 0.448 343 D N -0.733 119.814 120.400 0.245 0.000 2.342 343 D HA 0.031 4.096 4.640 -0.958 0.000 0.221 343 D C -0.496 175.973 176.300 0.281 0.000 1.101 343 D CA -0.087 54.059 54.000 0.244 0.000 0.837 343 D CB -0.004 40.939 40.800 0.238 0.000 0.938 343 D HN 0.034 nan 8.370 nan 0.000 0.508 344 F N 2.006 122.007 119.950 0.085 0.000 2.438 344 F HA 0.291 4.243 4.527 -0.958 0.000 0.356 344 F C 0.066 175.836 175.800 -0.050 0.000 1.099 344 F CA -0.529 57.379 58.000 -0.154 0.000 1.185 344 F CB 0.611 39.529 39.000 -0.136 0.000 1.115 344 F HN -0.388 nan 8.300 nan 0.000 0.526 345 K N 7.771 127.570 120.400 -1.002 0.000 2.450 345 K HA 0.363 4.108 4.320 -0.958 0.000 0.257 345 K C -2.197 173.780 176.600 -1.037 0.000 0.953 345 K CA -1.618 54.209 56.287 -0.767 0.000 0.844 345 K CB 1.465 33.770 32.500 -0.325 0.000 1.103 345 K HN 0.484 nan 8.250 nan 0.000 0.429 364 S N 1.739 117.486 115.700 0.078 0.000 3.644 364 S HA -0.115 3.780 4.470 -0.958 0.000 0.584 364 S C 0.527 175.156 174.600 0.049 0.000 0.658 364 S CA 0.927 59.165 58.200 0.063 0.000 1.414 364 S CB -0.564 62.643 63.200 0.013 0.000 0.901 364 S HN 1.538 nan 8.310 nan 0.000 0.867 365 I N 0.010 120.643 120.570 0.105 0.000 3.883 365 I HA 0.277 3.872 4.170 -0.958 0.000 0.326 365 I C 1.319 177.396 176.117 -0.066 0.000 1.283 365 I CA 0.145 61.468 61.300 0.039 0.000 1.161 365 I CB -0.102 37.954 38.000 0.093 0.000 1.012 365 I HN 0.358 nan 8.210 nan 0.000 0.421 366 D N 2.462 122.899 120.400 0.062 0.000 2.126 366 D HA -0.212 3.853 4.640 -0.958 0.000 0.190 366 D C 2.200 178.443 176.300 -0.095 0.000 1.001 366 D CA 1.873 55.950 54.000 0.128 0.000 0.841 366 D CB -0.118 40.810 40.800 0.214 0.000 0.949 366 D HN 0.363 nan 8.370 nan 0.000 0.446 367 R N 0.238 120.510 120.500 -0.379 0.000 2.083 367 R HA -0.059 3.706 4.340 -0.958 0.000 0.237 367 R C 2.309 178.511 176.300 -0.163 0.000 1.137 367 R CA 1.342 57.085 56.100 -0.594 0.000 0.951 367 R CB -0.357 29.410 30.300 -0.887 0.000 0.851 367 R HN 0.166 nan 8.270 nan 0.000 0.434 368 A N 0.489 123.241 122.820 -0.114 0.000 1.902 368 A HA -0.123 3.622 4.320 -0.958 0.000 0.217 368 A C 2.346 179.819 177.584 -0.185 0.000 1.181 368 A CA 1.503 53.513 52.037 -0.045 0.000 0.623 368 A CB -0.572 18.421 19.000 -0.011 0.000 0.818 368 A HN 0.126 nan 8.150 nan 0.000 0.443 369 V N -1.310 118.362 119.914 -0.404 0.000 2.255 369 V HA -0.310 3.235 4.120 -0.958 0.000 0.247 369 V C 2.343 178.055 176.094 -0.636 0.000 1.051 369 V CA 2.215 63.986 62.300 -0.883 0.000 1.018 369 V CB -1.185 29.853 31.823 -1.308 0.000 0.641 369 V HN 0.697 nan 8.190 nan 0.000 0.445 370 Y N 1.443 121.503 120.300 -0.399 0.000 2.081 370 Y HA -0.330 3.639 4.550 -0.969 0.000 0.280 370 Y C 2.415 178.139 175.900 -0.294 0.000 1.163 370 Y CA 2.052 60.018 58.100 -0.224 0.000 1.135 370 Y CB -0.729 37.784 38.460 0.087 0.000 0.970 370 Y HN 0.147 nan 8.280 nan 0.000 0.498 371 A N 0.360 123.087 122.820 -0.154 0.000 1.865 371 A HA -0.202 3.543 4.320 -0.958 0.000 0.217 371 A C 2.336 179.674 177.584 -0.410 0.000 1.191 371 A CA 2.073 53.848 52.037 -0.437 0.000 0.623 371 A CB -1.305 17.706 19.000 0.020 0.000 0.826 371 A HN 0.573 nan 8.150 nan 0.000 0.444 372 L N -0.826 120.260 121.223 -0.228 0.000 2.042 372 L HA -0.245 3.520 4.340 -0.958 0.000 0.210 372 L C 2.645 179.443 176.870 -0.119 0.000 1.076 372 L CA 1.885 56.667 54.840 -0.097 0.000 0.749 372 L CB -0.474 41.608 42.059 0.039 0.000 0.893 372 L HN 0.384 nan 8.230 nan 0.000 0.432 373 K N -0.202 120.007 120.400 -0.320 0.000 2.026 373 K HA -0.154 3.591 4.320 -0.958 0.000 0.208 373 K C 2.187 178.649 176.600 -0.229 0.000 1.048 373 K CA 1.066 57.198 56.287 -0.258 0.000 0.929 373 K CB -0.034 32.215 32.500 -0.418 0.000 0.713 373 K HN 0.097 nan 8.250 nan 0.000 0.439 374 K N 0.341 120.494 120.400 -0.412 0.000 2.152 374 K HA -0.130 3.615 4.320 -0.958 0.000 0.206 374 K C 2.012 178.540 176.600 -0.119 0.000 1.048 374 K CA 1.354 57.437 56.287 -0.339 0.000 0.933 374 K CB -0.347 31.778 32.500 -0.625 0.000 0.721 374 K HN 0.414 nan 8.250 nan 0.000 0.447 375 C N -0.334 118.906 119.300 -0.101 0.000 2.881 375 C HA 0.366 4.250 4.460 -0.958 0.000 0.290 375 C C 0.451 175.429 174.990 -0.020 0.000 1.362 375 C CA -0.832 58.184 59.018 -0.003 0.000 1.757 375 C CB -1.795 25.988 27.740 0.073 0.000 2.265 375 C HN 0.605 nan 8.230 nan 0.000 0.600 376 N N 0.377 119.083 118.700 0.009 0.000 2.725 376 N HA -0.137 4.028 4.740 -0.958 0.000 0.251 376 N C 0.590 176.172 175.510 0.119 0.000 1.031 376 N CA 0.266 53.358 53.050 0.069 0.000 0.720 376 N CB -0.908 37.592 38.487 0.022 0.000 0.930 376 N HN 0.901 nan 8.380 nan 0.000 0.543 377 G N 0.272 109.156 108.800 0.140 0.000 2.653 377 G HA2 0.567 3.952 3.960 -0.958 0.000 0.265 377 G HA3 0.567 3.952 3.960 -0.958 0.000 0.265 377 G C 0.038 175.048 174.900 0.183 0.000 1.237 377 G CA -0.257 44.947 45.100 0.172 0.000 0.946 377 G HN 0.335 nan 8.290 nan 0.000 0.522 378 I N -1.344 119.248 120.570 0.037 0.000 2.894 378 I HA 0.382 3.977 4.170 -0.958 0.000 0.302 378 I C -0.856 174.975 176.117 -0.476 0.000 1.188 378 I CA -0.957 60.119 61.300 -0.372 0.000 1.014 378 I CB 2.698 40.640 38.000 -0.096 0.000 1.242 378 I HN 0.159 nan 8.210 nan 0.000 0.430 379 V N 3.401 122.766 119.914 -0.916 0.000 2.656 379 V HA 0.580 4.125 4.120 -0.958 0.000 0.307 379 V C -0.537 175.541 176.094 -0.028 0.000 1.051 379 V CA -0.542 61.577 62.300 -0.301 0.000 0.893 379 V CB 2.036 33.807 31.823 -0.086 0.000 0.999 379 V HN 0.606 nan 8.190 nan 0.000 0.426 380 E N 2.193 122.384 120.200 -0.015 0.000 2.393 380 E HA 0.590 4.365 4.350 -0.958 0.000 0.273 380 E C -1.113 175.340 176.600 -0.245 0.000 0.918 380 E CA -0.623 55.736 56.400 -0.068 0.000 0.773 380 E CB 3.044 32.706 29.700 -0.062 0.000 1.275 380 E HN 0.764 nan 8.360 nan 0.000 0.451 381 E N -0.060 119.893 120.200 -0.413 0.000 2.264 381 E HA 0.819 4.594 4.350 -0.958 0.000 0.260 381 E C -1.103 175.382 176.600 -0.191 0.000 0.961 381 E CA -1.167 55.007 56.400 -0.376 0.000 0.834 381 E CB 2.084 31.429 29.700 -0.591 0.000 1.230 381 E HN 0.408 nan 8.360 nan 0.000 0.412 382 A N 0.938 123.676 122.820 -0.137 0.000 2.459 382 A HA 0.452 4.197 4.320 -0.958 0.000 0.296 382 A C -0.271 177.278 177.584 -0.059 0.000 1.039 382 A CA -0.802 51.192 52.037 -0.073 0.000 0.698 382 A CB 1.163 20.131 19.000 -0.053 0.000 1.261 382 A HN 0.577 nan 8.150 nan 0.000 0.405 383 T N -0.619 113.912 114.554 -0.037 0.000 2.788 383 T HA 0.356 4.131 4.350 -0.958 0.000 0.287 383 T C 0.959 175.648 174.700 -0.019 0.000 1.007 383 T CA 0.462 62.547 62.100 -0.025 0.000 1.005 383 T CB 0.855 69.715 68.868 -0.013 0.000 1.012 383 T HN 0.591 nan 8.240 nan 0.000 0.530 384 E N 0.194 120.386 120.200 -0.013 0.000 2.085 384 E HA -0.181 3.594 4.350 -0.958 0.000 0.194 384 E C 2.026 178.626 176.600 0.000 0.000 0.994 384 E CA 1.906 58.300 56.400 -0.010 0.000 0.801 384 E CB -0.282 29.415 29.700 -0.004 0.000 0.743 384 E HN 0.893 nan 8.360 nan 0.000 0.453 385 E N -0.160 120.046 120.200 0.010 0.000 2.107 385 E HA -0.181 3.594 4.350 -0.958 0.000 0.191 385 E C 1.788 178.410 176.600 0.037 0.000 0.982 385 E CA 0.994 57.413 56.400 0.031 0.000 0.809 385 E CB 0.001 29.711 29.700 0.017 0.000 0.756 385 E HN 0.351 nan 8.360 nan 0.000 0.459 386 E N 1.070 121.280 120.200 0.016 0.000 2.072 386 E HA -0.110 3.665 4.350 -0.958 0.000 0.191 386 E C 1.475 178.069 176.600 -0.011 0.000 0.985 386 E CA 0.473 56.882 56.400 0.015 0.000 0.801 386 E CB -0.208 29.499 29.700 0.012 0.000 0.750 386 E HN 0.324 nan 8.360 nan 0.000 0.452 393 Q N 0.267 119.847 119.800 -0.367 0.000 2.079 393 Q HA 0.015 3.780 4.340 -0.958 0.000 0.200 393 Q C 2.358 178.096 176.000 -0.437 0.000 0.974 393 Q CA 1.562 57.057 55.803 -0.513 0.000 0.840 393 Q CB -0.192 28.148 28.738 -0.663 0.000 0.898 393 Q HN 0.740 nan 8.270 nan 0.000 0.430 394 A N 1.590 124.116 122.820 -0.490 0.000 1.877 394 A HA -0.225 3.520 4.320 -0.958 0.000 0.216 394 A C 1.612 179.010 177.584 -0.310 0.000 1.186 394 A CA 1.833 53.483 52.037 -0.646 0.000 0.620 394 A CB -0.530 17.993 19.000 -0.795 0.000 0.822 394 A HN 0.233 nan 8.150 nan 0.000 0.443 395 D N 0.108 120.368 120.400 -0.232 0.000 2.182 395 D HA -0.136 3.929 4.640 -0.958 0.000 0.201 395 D C 2.361 178.643 176.300 -0.029 0.000 0.986 395 D CA 1.715 55.660 54.000 -0.092 0.000 0.847 395 D CB -0.374 40.400 40.800 -0.044 0.000 0.942 395 D HN 0.589 nan 8.370 nan 0.000 0.467 396 S N -0.250 115.425 115.700 -0.042 0.000 2.474 396 S HA -0.120 3.775 4.470 -0.958 0.000 0.235 396 S C 1.803 176.435 174.600 0.053 0.000 0.997 396 S CA 1.478 59.693 58.200 0.025 0.000 0.949 396 S CB -0.617 62.605 63.200 0.037 0.000 0.766 396 S HN 0.314 nan 8.310 nan 0.000 0.517 397 T N -2.046 112.529 114.554 0.036 0.000 3.144 397 T HA 0.549 4.324 4.350 -0.958 0.000 0.249 397 T C 1.014 175.748 174.700 0.057 0.000 1.089 397 T CA 0.260 62.413 62.100 0.087 0.000 0.989 397 T CB -0.415 68.547 68.868 0.157 0.000 0.992 397 T HN 1.270 nan 8.240 nan 0.000 0.540 401 I N 0.759 121.146 120.570 -0.305 0.000 2.934 401 I HA 0.727 4.322 4.170 -0.958 0.000 0.315 401 I C 0.340 176.249 176.117 -0.346 0.000 0.997 401 I CA -0.645 60.491 61.300 -0.274 0.000 1.184 401 I CB 1.375 39.212 38.000 -0.272 0.000 1.400 401 I HN 0.472 nan 8.210 nan 0.000 0.549 402 C N 0.901 120.015 119.300 -0.310 0.000 2.362 402 C HA 0.560 4.445 4.460 -0.958 0.000 0.363 402 C C -1.185 173.427 174.990 -0.630 0.000 1.220 402 C CA -1.127 57.542 59.018 -0.582 0.000 2.379 402 C CB 0.681 28.140 27.740 -0.468 0.000 2.351 402 C HN 0.693 nan 8.230 nan 0.000 0.582 403 P HA -0.141 nan 4.420 nan 0.000 0.215 403 P C 1.444 178.539 177.300 -0.343 0.000 1.153 403 P CA 1.757 64.514 63.100 -0.572 0.000 0.853 403 P CB -0.222 31.095 31.700 -0.638 0.000 0.788 404 H N -1.103 117.760 119.070 -0.344 0.000 2.387 404 H HA -0.069 3.912 4.556 -0.958 0.000 0.299 404 H C 1.817 177.021 175.328 -0.207 0.000 1.099 404 H CA 1.683 57.599 56.048 -0.220 0.000 1.315 404 H CB -1.413 28.248 29.762 -0.169 0.000 1.380 404 H HN 0.107 nan 8.280 nan 0.000 0.513 405 T N -0.291 114.195 114.554 -0.113 0.000 2.915 405 T HA -0.083 3.692 4.350 -0.958 0.000 0.269 405 T C 2.250 176.841 174.700 -0.180 0.000 1.071 405 T CA 1.027 63.033 62.100 -0.157 0.000 1.132 405 T CB -0.476 68.273 68.868 -0.198 0.000 0.878 405 T HN 0.566 nan 8.240 nan 0.000 0.479 406 G N 0.978 109.657 108.800 -0.200 0.000 2.402 406 G HA2 -0.144 3.241 3.960 -0.958 0.000 0.216 406 G HA3 -0.144 3.241 3.960 -0.958 0.000 0.216 406 G C 1.671 176.501 174.900 -0.116 0.000 1.162 406 G CA 0.653 45.640 45.100 -0.189 0.000 0.777 406 G HN 0.430 nan 8.290 nan 0.000 0.539 407 V N 1.611 121.472 119.914 -0.088 0.000 2.295 407 V HA -0.147 3.397 4.120 -0.958 0.000 0.246 407 V C 3.337 179.393 176.094 -0.062 0.000 1.049 407 V CA 2.044 64.308 62.300 -0.059 0.000 1.024 407 V CB -0.881 30.924 31.823 -0.031 0.000 0.648 407 V HN 0.468 nan 8.190 nan 0.000 0.447 408 A N -0.279 122.495 122.820 -0.076 0.000 1.908 408 A HA -0.162 3.583 4.320 -0.958 0.000 0.218 408 A C 2.201 179.761 177.584 -0.041 0.000 1.181 408 A CA 1.852 53.845 52.037 -0.073 0.000 0.627 408 A CB -0.527 18.416 19.000 -0.094 0.000 0.818 408 A HN 0.517 nan 8.150 nan 0.000 0.445 409 L N -1.039 120.157 121.223 -0.045 0.000 2.156 409 L HA -0.110 3.655 4.340 -0.958 0.000 0.208 409 L C 2.715 179.641 176.870 0.093 0.000 1.095 409 L CA 1.488 56.346 54.840 0.030 0.000 0.770 409 L CB -0.806 41.228 42.059 -0.041 0.000 0.914 409 L HN 0.327 nan 8.230 nan 0.000 0.439 410 T N 0.111 114.690 114.554 0.042 0.000 2.708 410 T HA -0.163 3.611 4.350 -0.958 0.000 0.266 410 T C 2.059 176.824 174.700 0.108 0.000 1.037 410 T CA 1.402 63.553 62.100 0.085 0.000 1.146 410 T CB -0.189 68.694 68.868 0.025 0.000 0.865 410 T HN 0.436 nan 8.240 nan 0.000 0.435 411 A N 1.310 124.144 122.820 0.024 0.000 1.908 411 A HA -0.043 3.702 4.320 -0.958 0.000 0.218 411 A C 2.237 179.807 177.584 -0.023 0.000 1.181 411 A CA 1.364 53.391 52.037 -0.017 0.000 0.627 411 A CB -0.825 18.141 19.000 -0.058 0.000 0.818 411 A HN 0.409 nan 8.150 nan 0.000 0.445 412 L N -1.495 119.731 121.223 0.006 0.000 2.046 412 L HA -0.091 3.674 4.340 -0.958 0.000 0.208 412 L C 2.158 179.049 176.870 0.035 0.000 1.077 412 L CA 2.215 57.049 54.840 -0.011 0.000 0.747 412 L CB -0.874 41.214 42.059 0.047 0.000 0.896 412 L HN 0.425 nan 8.230 nan 0.000 0.432 413 F N 0.617 120.553 119.950 -0.022 0.000 2.069 413 F HA -0.238 3.714 4.527 -0.959 0.000 0.298 413 F C 2.333 178.111 175.800 -0.037 0.000 1.113 413 F CA 2.066 60.057 58.000 -0.016 0.000 1.214 413 F CB -0.389 38.621 39.000 0.016 0.000 0.978 413 F HN 0.055 nan 8.300 nan 0.000 0.474 414 K N 0.304 120.651 120.400 -0.088 0.000 2.009 414 K HA -0.185 3.560 4.320 -0.958 0.000 0.210 414 K C 2.093 178.559 176.600 -0.223 0.000 1.049 414 K CA 2.078 58.250 56.287 -0.191 0.000 0.929 414 K CB -0.640 31.835 32.500 -0.040 0.000 0.714 414 K HN 0.346 nan 8.250 nan 0.000 0.440 415 L N 0.700 121.811 121.223 -0.187 0.000 2.265 415 L HA -0.135 3.630 4.340 -0.958 0.000 0.215 415 L C 2.539 179.263 176.870 -0.243 0.000 1.117 415 L CA 0.728 55.433 54.840 -0.224 0.000 0.782 415 L CB -0.320 41.550 42.059 -0.315 0.000 0.914 415 L HN 0.171 nan 8.230 nan 0.000 0.441 416 R N -0.026 120.323 120.500 -0.251 0.000 2.062 416 R HA -0.057 3.708 4.340 -0.958 0.000 0.229 416 R C 2.000 178.155 176.300 -0.242 0.000 1.128 416 R CA 0.938 56.906 56.100 -0.221 0.000 0.960 416 R CB -0.443 29.747 30.300 -0.183 0.000 0.855 416 R HN 0.445 nan 8.270 nan 0.000 0.432 417 N N 1.466 119.947 118.700 -0.364 0.000 2.069 417 N HA -0.172 3.992 4.740 -0.958 0.000 0.191 417 N C 1.666 177.063 175.510 -0.188 0.000 1.031 417 N CA 1.299 54.159 53.050 -0.318 0.000 0.852 417 N CB -0.203 38.021 38.487 -0.438 0.000 1.018 417 N HN 0.363 nan 8.380 nan 0.000 0.423 418 Q N -0.281 119.416 119.800 -0.170 0.000 2.500 418 Q HA 0.044 3.809 4.340 -0.958 0.000 0.213 418 Q C 0.925 176.876 176.000 -0.081 0.000 0.974 418 Q CA 0.592 56.332 55.803 -0.104 0.000 0.918 418 Q CB 0.007 28.694 28.738 -0.085 0.000 0.980 418 Q HN 0.502 nan 8.270 nan 0.000 0.505 419 G N -0.198 108.543 108.800 -0.098 0.000 2.162 419 G HA2 -0.311 3.074 3.960 -0.958 0.000 0.260 419 G HA3 -0.311 3.074 3.960 -0.958 0.000 0.260 419 G C 0.829 175.702 174.900 -0.045 0.000 0.976 419 G CA 0.442 45.505 45.100 -0.063 0.000 0.655 419 G HN 0.301 nan 8.290 nan 0.000 0.533 420 V N 0.035 119.902 119.914 -0.079 0.000 2.427 420 V HA 0.149 3.694 4.120 -0.958 0.000 0.248 420 V C 1.627 177.667 176.094 -0.089 0.000 1.051 420 V CA 1.797 64.061 62.300 -0.060 0.000 1.048 420 V CB -0.145 31.600 31.823 -0.130 0.000 0.666 420 V HN 0.493 nan 8.190 nan 0.000 0.456 421 I N 0.541 120.973 120.570 -0.229 0.000 2.362 421 I HA 0.555 4.150 4.170 -0.958 0.000 0.289 421 I C 0.265 176.339 176.117 -0.070 0.000 0.994 421 I CA -0.484 60.669 61.300 -0.245 0.000 1.158 421 I CB 1.436 39.110 38.000 -0.543 0.000 1.315 421 I HN 0.125 nan 8.210 nan 0.000 0.451 422 A N 9.090 131.935 122.820 0.043 0.000 2.351 422 A HA 0.429 4.174 4.320 -0.958 0.000 0.257 422 A C -1.355 176.251 177.584 0.036 0.000 1.087 422 A CA -1.205 50.857 52.037 0.041 0.000 0.798 422 A CB -0.111 18.933 19.000 0.073 0.000 1.033 422 A HN 0.611 nan 8.150 nan 0.000 0.488 423 P HA -0.160 nan 4.420 nan 0.000 0.218 423 P C 1.009 178.341 177.300 0.053 0.000 1.146 423 P CA 2.125 65.241 63.100 0.028 0.000 0.813 423 P CB -0.162 31.547 31.700 0.015 0.000 0.778 424 T N -4.963 109.626 114.554 0.058 0.000 3.145 424 T HA 0.128 3.903 4.350 -0.958 0.000 0.255 424 T C 0.325 175.076 174.700 0.084 0.000 1.039 424 T CA -0.491 61.650 62.100 0.067 0.000 0.928 424 T CB -0.591 68.305 68.868 0.047 0.000 1.029 424 T HN -0.143 nan 8.240 nan 0.000 0.554 425 D N 2.986 123.454 120.400 0.113 0.000 2.390 425 D HA 0.123 4.188 4.640 -0.958 0.000 0.249 425 D C 0.336 176.730 176.300 0.157 0.000 1.144 425 D CA -0.115 53.979 54.000 0.157 0.000 0.880 425 D CB 0.877 41.849 40.800 0.286 0.000 1.182 425 D HN 0.398 nan 8.370 nan 0.000 0.451 426 R N 1.608 122.165 120.500 0.095 0.000 2.343 426 R HA 0.170 3.934 4.340 -0.958 0.000 0.326 426 R C -0.805 175.575 176.300 0.133 0.000 1.055 426 R CA 0.152 56.290 56.100 0.063 0.000 0.961 426 R CB 0.055 30.260 30.300 -0.159 0.000 0.978 426 R HN 0.188 nan 8.270 nan 0.000 0.443 427 T N 3.954 118.659 114.554 0.252 0.000 2.841 427 T HA 0.374 4.149 4.350 -0.958 0.000 0.283 427 T C -0.978 173.917 174.700 0.326 0.000 1.000 427 T CA -0.610 61.656 62.100 0.276 0.000 0.977 427 T CB 1.856 70.870 68.868 0.242 0.000 0.979 427 T HN 0.300 nan 8.240 nan 0.000 0.446 428 V N 3.465 123.534 119.914 0.259 0.000 2.444 428 V HA 0.445 3.990 4.120 -0.958 0.000 0.294 428 V C -0.175 175.998 176.094 0.131 0.000 1.022 428 V CA -0.797 61.655 62.300 0.254 0.000 0.850 428 V CB 1.742 33.715 31.823 0.250 0.000 0.992 428 V HN 0.708 nan 8.190 nan 0.000 0.426 429 V N 5.676 125.649 119.914 0.100 0.000 2.439 429 V HA 0.377 3.922 4.120 -0.958 0.000 0.282 429 V C 0.047 176.090 176.094 -0.085 0.000 1.039 429 V CA -0.526 61.767 62.300 -0.011 0.000 0.913 429 V CB 1.944 33.757 31.823 -0.016 0.000 0.983 429 V HN 0.622 nan 8.190 nan 0.000 0.460 430 V N 4.384 124.188 119.914 -0.183 0.000 2.385 430 V HA 0.310 3.855 4.120 -0.958 0.000 0.269 430 V C 0.468 176.438 176.094 -0.207 0.000 1.043 430 V CA -0.011 62.142 62.300 -0.246 0.000 0.906 430 V CB 1.548 33.066 31.823 -0.508 0.000 0.995 430 V HN 0.883 nan 8.190 nan 0.000 0.467 431 S N 3.242 118.844 115.700 -0.164 0.000 2.438 431 S HA 0.317 4.212 4.470 -0.958 0.000 0.293 431 S C 1.072 175.646 174.600 -0.043 0.000 1.141 431 S CA 0.028 58.163 58.200 -0.107 0.000 1.080 431 S CB 1.132 64.265 63.200 -0.112 0.000 0.978 431 S HN 0.978 nan 8.310 nan 0.000 0.479 432 T N 1.844 116.393 114.554 -0.008 0.000 3.040 432 T HA 0.580 4.355 4.350 -0.958 0.000 0.250 432 T C 0.332 175.160 174.700 0.214 0.000 1.058 432 T CA 0.190 62.330 62.100 0.068 0.000 0.988 432 T CB 0.147 69.036 68.868 0.034 0.000 0.993 432 T HN 0.788 nan 8.240 nan 0.000 0.519 433 A N 0.735 123.679 122.820 0.208 0.000 2.520 433 A HA 0.558 4.303 4.320 -0.958 0.000 0.298 433 A C -0.950 176.806 177.584 0.286 0.000 1.051 433 A CA -0.812 51.397 52.037 0.286 0.000 0.690 433 A CB 0.838 20.085 19.000 0.412 0.000 1.281 433 A HN 0.389 nan 8.150 nan 0.000 0.402 434 H N 1.233 120.424 119.070 0.202 0.000 2.928 434 H HA 0.154 4.134 4.556 -0.959 0.000 0.338 434 H C 1.639 177.105 175.328 0.230 0.000 1.047 434 H CA 1.435 57.588 56.048 0.175 0.000 1.435 434 H CB 1.389 31.220 29.762 0.115 0.000 1.428 434 H HN 0.830 nan 8.280 nan 0.000 0.590 435 G N 4.861 113.847 108.800 0.309 0.000 2.485 435 G HA2 -0.220 3.165 3.960 -0.958 0.000 0.221 435 G HA3 -0.220 3.165 3.960 -0.958 0.000 0.221 435 G C 1.877 177.015 174.900 0.398 0.000 1.115 435 G CA 0.486 45.719 45.100 0.221 0.000 0.751 435 G HN 0.664 nan 8.290 nan 0.000 0.567 436 L N -0.291 121.364 121.223 0.719 0.000 2.261 436 L HA -0.058 3.707 4.340 -0.958 0.000 0.216 436 L C 2.663 179.598 176.870 0.108 0.000 1.114 436 L CA 0.987 56.058 54.840 0.385 0.000 0.777 436 L CB -0.141 41.916 42.059 -0.003 0.000 0.910 436 L HN 0.210 nan 8.230 nan 0.000 0.440 437 K N -0.549 119.838 120.400 -0.022 0.000 2.486 437 K HA -0.014 3.731 4.320 -0.958 0.000 0.194 437 K C 0.204 176.373 176.600 -0.718 0.000 1.033 437 K CA 0.678 56.716 56.287 -0.416 0.000 1.004 437 K CB 0.181 32.294 32.500 -0.645 0.000 0.798 437 K HN 0.206 nan 8.250 nan 0.000 0.495 438 F N 0.055 119.999 119.950 -0.009 0.000 2.881 438 F HA 0.079 4.030 4.527 -0.960 0.000 0.343 438 F C 1.625 177.399 175.800 -0.044 0.000 1.233 438 F CA -0.417 57.548 58.000 -0.058 0.000 1.262 438 F CB 0.132 39.054 39.000 -0.131 0.000 0.980 438 F HN -0.063 nan 8.300 nan 0.000 0.506 439 T N -3.109 111.518 114.554 0.122 0.000 2.821 439 T HA -0.235 3.540 4.350 -0.958 0.000 0.267 439 T C 1.955 176.730 174.700 0.124 0.000 1.046 439 T CA 1.474 63.671 62.100 0.163 0.000 1.139 439 T CB -0.083 68.889 68.868 0.173 0.000 0.871 439 T HN 0.206 nan 8.240 nan 0.000 0.454 440 Q N 1.609 121.460 119.800 0.086 0.000 2.084 440 Q HA -0.059 3.706 4.340 -0.958 0.000 0.202 440 Q C 2.548 178.605 176.000 0.094 0.000 0.978 440 Q CA 2.026 57.875 55.803 0.076 0.000 0.844 440 Q CB -1.023 27.743 28.738 0.047 0.000 0.898 440 Q HN 0.608 nan 8.270 nan 0.000 0.426 441 S N -0.518 115.245 115.700 0.106 0.000 2.368 441 S HA -0.178 3.717 4.470 -0.958 0.000 0.225 441 S C 1.710 176.375 174.600 0.109 0.000 1.030 441 S CA 1.532 59.791 58.200 0.099 0.000 0.999 441 S CB -0.128 63.132 63.200 0.099 0.000 0.844 441 S HN 0.449 nan 8.310 nan 0.000 0.459 442 K N 0.374 120.841 120.400 0.111 0.000 2.057 442 K HA 0.036 3.781 4.320 -0.958 0.000 0.206 442 K C 2.087 178.866 176.600 0.298 0.000 1.050 442 K CA 1.544 57.938 56.287 0.179 0.000 0.935 442 K CB -0.355 32.234 32.500 0.148 0.000 0.715 442 K HN 0.429 nan 8.250 nan 0.000 0.439 443 I N 1.697 122.394 120.570 0.212 0.000 2.163 443 I HA -0.306 3.289 4.170 -0.958 0.000 0.243 443 I C 1.747 177.966 176.117 0.170 0.000 1.085 443 I CA 1.281 62.694 61.300 0.188 0.000 1.347 443 I CB -0.323 37.750 38.000 0.122 0.000 1.044 443 I HN 0.150 nan 8.210 nan 0.000 0.408 444 D N 0.043 120.523 120.400 0.134 0.000 2.104 444 D HA -0.250 3.815 4.640 -0.958 0.000 0.194 444 D C 1.932 178.287 176.300 0.091 0.000 0.994 444 D CA 1.473 55.529 54.000 0.093 0.000 0.830 444 D CB -0.502 40.342 40.800 0.074 0.000 0.959 444 D HN 0.362 nan 8.370 nan 0.000 0.452 445 Y N 1.255 121.542 120.300 -0.023 0.000 2.145 445 Y HA -0.231 3.744 4.550 -0.958 0.000 0.286 445 Y C 2.310 178.114 175.900 -0.160 0.000 1.145 445 Y CA 1.757 59.787 58.100 -0.117 0.000 1.148 445 Y CB -0.307 38.036 38.460 -0.195 0.000 0.981 445 Y HN 0.153 nan 8.280 nan 0.000 0.507 446 H N -0.916 118.323 119.070 0.280 0.000 2.546 446 H HA 0.039 4.019 4.556 -0.959 0.000 0.277 446 H C 1.679 177.040 175.328 0.055 0.000 1.004 446 H CA 1.199 57.356 56.048 0.182 0.000 1.231 446 H CB -0.133 29.750 29.762 0.201 0.000 1.382 446 H HN 0.419 nan 8.280 nan 0.000 0.580 447 S N -0.504 115.259 115.700 0.104 0.000 2.575 447 S HA 0.044 3.939 4.470 -0.958 0.000 0.237 447 S C 0.267 174.857 174.600 -0.018 0.000 0.975 447 S CA -0.496 57.733 58.200 0.049 0.000 0.960 447 S CB -0.182 63.052 63.200 0.056 0.000 0.822 447 S HN 0.217 nan 8.310 nan 0.000 0.472 448 N N 1.273 119.921 118.700 -0.087 0.000 2.714 448 N HA -0.187 3.978 4.740 -0.958 0.000 0.252 448 N C 0.244 175.701 175.510 -0.089 0.000 1.014 448 N CA 0.772 53.737 53.050 -0.141 0.000 0.735 448 N CB -1.157 37.259 38.487 -0.118 0.000 0.924 448 N HN 0.735 nan 8.380 nan 0.000 0.540 449 A N -0.243 122.539 122.820 -0.063 0.000 2.637 449 A HA 0.414 4.159 4.320 -0.958 0.000 0.293 449 A C 0.278 177.846 177.584 -0.028 0.000 1.216 449 A CA -0.321 51.696 52.037 -0.032 0.000 0.956 449 A CB 0.367 19.364 19.000 -0.005 0.000 1.174 449 A HN 0.343 nan 8.150 nan 0.000 0.525 450 I N 2.966 123.506 120.570 -0.051 0.000 2.330 450 I HA 0.240 3.834 4.170 -0.958 0.000 0.286 450 I C -1.957 174.135 176.117 -0.041 0.000 1.025 450 I CA -1.956 59.326 61.300 -0.031 0.000 1.197 450 I CB 1.430 39.420 38.000 -0.018 0.000 1.358 450 I HN 0.217 nan 8.210 nan 0.000 0.467 451 P HA 0.059 nan 4.420 nan 0.000 0.264 451 P C -0.391 176.893 177.300 -0.028 0.000 1.183 451 P CA 0.274 63.358 63.100 -0.027 0.000 0.763 451 P CB 0.567 32.257 31.700 -0.017 0.000 0.807 455 C N 1.473 120.528 119.300 -0.407 0.000 4.350 455 C HA -0.158 3.727 4.460 -0.958 0.000 0.302 455 C C 2.014 176.654 174.990 -0.583 0.000 1.390 455 C CA 1.116 59.604 59.018 -0.882 0.000 2.016 455 C CB -2.804 24.392 27.740 -0.906 0.000 1.271 455 C HN 0.871 nan 8.230 nan 0.000 0.760 456 R N -0.460 119.786 120.500 -0.423 0.000 2.249 456 R HA -0.111 3.654 4.340 -0.958 0.000 0.230 456 R C 0.780 176.798 176.300 -0.469 0.000 1.121 456 R CA 1.947 57.754 56.100 -0.487 0.000 0.997 456 R CB -0.325 29.567 30.300 -0.680 0.000 0.867 456 R HN 0.536 nan 8.270 nan 0.000 0.465 457 F N 1.852 121.870 119.950 0.114 0.000 2.708 457 F HA 0.238 4.190 4.527 -0.958 0.000 0.300 457 F C 0.444 176.406 175.800 0.269 0.000 1.118 457 F CA -0.912 57.212 58.000 0.207 0.000 1.307 457 F CB 0.305 39.450 39.000 0.242 0.000 0.986 457 F HN -0.013 nan 8.300 nan 0.000 0.522 458 S N 0.083 115.902 115.700 0.197 0.000 2.563 458 S HA 0.049 3.944 4.470 -0.958 0.000 0.284 458 S C 0.215 175.036 174.600 0.367 0.000 1.331 458 S CA -0.394 57.929 58.200 0.204 0.000 1.047 458 S CB 0.819 63.979 63.200 -0.066 0.000 0.859 458 S HN 0.367 nan 8.310 nan 0.000 0.514 459 N N 2.379 121.423 118.700 0.575 0.000 2.765 459 N HA 0.352 4.517 4.740 -0.958 0.000 0.277 459 N C -2.681 172.921 175.510 0.154 0.000 1.750 459 N CA -1.721 51.494 53.050 0.275 0.000 0.827 459 N CB 0.642 39.247 38.487 0.196 0.000 1.200 459 N HN 0.541 nan 8.380 nan 0.000 0.494 460 P HA 0.357 nan 4.420 nan 0.000 0.274 460 P C -2.520 174.796 177.300 0.027 0.000 1.237 460 P CA -0.835 62.310 63.100 0.075 0.000 0.793 460 P CB 0.043 31.781 31.700 0.063 0.000 0.977 461 P HA 0.100 nan 4.420 nan 0.000 0.269 461 P C -0.667 176.623 177.300 -0.017 0.000 1.209 461 P CA 0.027 63.117 63.100 -0.017 0.000 0.776 461 P CB 0.314 32.006 31.700 -0.015 0.000 0.876 462 V N 3.789 123.682 119.914 -0.034 0.000 2.370 462 V HA 0.135 3.679 4.120 -0.958 0.000 0.279 462 V C 0.252 176.329 176.094 -0.028 0.000 1.029 462 V CA -0.447 61.835 62.300 -0.030 0.000 0.870 462 V CB 1.020 32.817 31.823 -0.043 0.000 0.984 462 V HN 0.520 nan 8.190 nan 0.000 0.451 463 D N 3.085 123.474 120.400 -0.019 0.000 2.350 463 D HA 0.432 4.497 4.640 -0.958 0.000 0.249 463 D C -0.399 175.890 176.300 -0.018 0.000 1.119 463 D CA 0.389 54.379 54.000 -0.016 0.000 0.886 463 D CB 2.309 43.103 40.800 -0.011 0.000 1.195 463 D HN 0.349 nan 8.370 nan 0.000 0.437 464 V N 2.073 121.976 119.914 -0.019 0.000 3.120 464 V HA 0.230 3.775 4.120 -0.958 0.000 0.303 464 V C -0.961 175.125 176.094 -0.013 0.000 1.238 464 V CA -0.881 61.407 62.300 -0.019 0.000 1.008 464 V CB 2.514 34.319 31.823 -0.029 0.000 1.064 464 V HN 0.383 nan 8.190 nan 0.000 0.434 465 K N 2.888 123.282 120.400 -0.010 0.000 2.154 465 K HA 0.606 4.351 4.320 -0.958 0.000 0.264 465 K C 0.339 176.940 176.600 0.002 0.000 1.008 465 K CA 0.147 56.432 56.287 -0.002 0.000 0.937 465 K CB 1.327 33.828 32.500 0.001 0.000 1.002 465 K HN 0.853 nan 8.250 nan 0.000 0.469 466 A N 3.327 126.153 122.820 0.010 0.000 3.029 466 A HA 0.032 3.777 4.320 -0.958 0.000 0.251 466 A C -0.817 176.789 177.584 0.038 0.000 1.749 466 A CA 0.144 52.193 52.037 0.020 0.000 1.386 466 A CB -0.518 18.494 19.000 0.020 0.000 1.043 466 A HN 0.518 nan 8.150 nan 0.000 0.638 467 D N -0.241 120.182 120.400 0.037 0.000 2.593 467 D HA 0.179 4.244 4.640 -0.958 0.000 0.251 467 D C 0.561 176.909 176.300 0.081 0.000 1.140 467 D CA -0.551 53.489 54.000 0.068 0.000 0.855 467 D CB 1.077 41.906 40.800 0.048 0.000 1.267 467 D HN 0.201 nan 8.370 nan 0.000 0.532 468 F N 2.782 122.733 119.950 0.003 0.000 2.085 468 F HA -0.253 3.699 4.527 -0.958 0.000 0.299 468 F C 2.031 177.835 175.800 0.006 0.000 1.096 468 F CA 2.459 60.462 58.000 0.004 0.000 1.227 468 F CB -0.138 38.865 39.000 0.004 0.000 0.983 468 F HN 0.479 nan 8.300 nan 0.000 0.482 469 G N -0.598 108.212 108.800 0.016 0.000 2.433 469 G HA2 -0.227 3.158 3.960 -0.958 0.000 0.216 469 G HA3 -0.227 3.158 3.960 -0.958 0.000 0.216 469 G C 1.826 176.642 174.900 -0.140 0.000 1.186 469 G CA 1.111 46.163 45.100 -0.079 0.000 0.779 469 G HN 0.690 nan 8.290 nan 0.000 0.543 470 A N 0.129 122.904 122.820 -0.076 0.000 1.865 470 A HA 0.188 3.933 4.320 -0.958 0.000 0.217 470 A C 1.723 179.245 177.584 -0.104 0.000 1.191 470 A CA 1.251 53.248 52.037 -0.067 0.000 0.623 470 A CB -0.799 18.181 19.000 -0.032 0.000 0.826 470 A HN 0.277 nan 8.150 nan 0.000 0.444 474 V N 0.810 120.700 119.914 -0.039 0.000 2.427 474 V HA -0.058 3.487 4.120 -0.958 0.000 0.248 474 V C 2.505 178.617 176.094 0.030 0.000 1.051 474 V CA 1.183 63.478 62.300 -0.007 0.000 1.048 474 V CB -0.984 30.824 31.823 -0.025 0.000 0.666 474 V HN 0.123 nan 8.190 nan 0.000 0.456 475 L N -0.645 120.582 121.223 0.007 0.000 2.046 475 L HA -0.092 3.673 4.340 -0.958 0.000 0.208 475 L C 3.009 179.933 176.870 0.089 0.000 1.077 475 L CA 1.686 56.565 54.840 0.065 0.000 0.747 475 L CB -0.646 41.422 42.059 0.014 0.000 0.896 475 L HN 0.263 nan 8.230 nan 0.000 0.432 476 K N -0.038 120.377 120.400 0.024 0.000 2.032 476 K HA -0.139 3.606 4.320 -0.958 0.000 0.209 476 K C 2.259 178.875 176.600 0.027 0.000 1.048 476 K CA 1.658 57.954 56.287 0.015 0.000 0.927 476 K CB -0.525 31.969 32.500 -0.009 0.000 0.712 476 K HN 0.224 nan 8.250 nan 0.000 0.441 477 S N 0.698 116.422 115.700 0.040 0.000 2.353 477 S HA -0.192 3.703 4.470 -0.958 0.000 0.222 477 S C 1.842 176.483 174.600 0.069 0.000 1.035 477 S CA 1.441 59.668 58.200 0.045 0.000 1.025 477 S CB -0.593 62.637 63.200 0.050 0.000 0.902 477 S HN 0.343 nan 8.310 nan 0.000 0.440 478 Y N 2.588 122.883 120.300 -0.008 0.000 2.081 478 Y HA -0.100 3.875 4.550 -0.959 0.000 0.280 478 Y C 0.934 176.833 175.900 -0.001 0.000 1.163 478 Y CA 1.028 59.127 58.100 -0.001 0.000 1.135 478 Y CB -0.721 37.738 38.460 -0.003 0.000 0.970 478 Y HN 0.119 nan 8.280 nan 0.000 0.498 479 L N 0.000 121.155 121.223 -0.114 0.000 2.949 479 L HA 0.000 3.765 4.340 -0.958 0.000 0.249 479 L CA 0.000 54.723 54.840 -0.195 0.000 0.813 479 L CB 0.000 42.036 42.059 -0.038 0.000 0.961 479 L HN 0.000 nan 8.230 nan 0.000 0.502