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 2jkv_1_A DATA FIRST_RESID 2 DATA SEQUENCE AQADIALIGL AVMGQNLILN MNDHGFVVCA FNRTVSKVDD FLANEAKGTK DATA SEQUENCE VVGAQSLKEM VSKLKKPRRI ILLVKAGQAV DDFIEKLVPL LDTGDIIIDG DATA SEQUENCE GNSEYRDTTR RCRDLKAKGI LFVGSGVSGG EEGARYGPSL MPGGNKEAWP DATA SEQUENCE HIKTIFQGIA AKVGTGEPCC DWVGDEGAGH FVKMVHNGIE YGDMQLICEA DATA SEQUENCE YHLMKDVLGM AQDEMAQAFE DWNKTELDSF LIEITANILK FQDTDGKHLL DATA SEQUENCE PKIRDSAGQK GTGKWTAISA LEYGVPVTLI GEAVFARCLS SLKDERIQAS DATA SEQUENCE KKLKGPQKFQ FDGDKKSFLE DIRKALYASK IISYAQGFML LRQAATEFGW DATA SEQUENCE TLNYGGIALM WRGGCIIRSV FLGKIKDAFD RNPELQNLLL DDFFKSAVEN DATA SEQUENCE CQDSWRRAVS TGVQAGIPMP CFTTALSFYD GYRHEMLPAS LIQAQRDYFG DATA SEQUENCE AHTYELLAKP GQFIHTNWTG HGGTVSSSSY NA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.591 177.584 0.011 0.000 1.274 2 A CA 0.000 52.040 52.037 0.004 0.000 0.836 2 A CB 0.000 19.001 19.000 0.002 0.000 0.831 3 Q N -0.045 119.764 119.800 0.015 0.000 2.394 3 Q HA 0.409 4.750 4.340 0.001 0.000 0.218 3 Q C 0.875 176.895 176.000 0.033 0.000 0.907 3 Q CA 0.905 56.721 55.803 0.021 0.000 0.919 3 Q CB -0.235 28.514 28.738 0.018 0.000 1.051 3 Q HN 1.221 nan 8.270 nan 0.000 0.538 4 A N 2.093 124.933 122.820 0.034 0.000 2.388 4 A HA 0.186 4.507 4.320 0.001 0.000 0.257 4 A C 0.188 177.804 177.584 0.053 0.000 1.095 4 A CA -0.219 51.846 52.037 0.048 0.000 0.791 4 A CB 0.376 19.401 19.000 0.041 0.000 1.029 4 A HN 0.131 nan 8.150 nan 0.000 0.489 5 D N 0.484 120.934 120.400 0.083 0.000 2.249 5 D HA 0.136 4.777 4.640 0.001 0.000 0.205 5 D C 0.336 176.661 176.300 0.041 0.000 0.962 5 D CA 1.322 55.378 54.000 0.092 0.000 0.860 5 D CB 0.280 41.200 40.800 0.199 0.000 0.955 5 D HN 0.538 nan 8.370 nan 0.000 0.505 6 I N -0.856 119.736 120.570 0.036 0.000 2.897 6 I HA 0.412 4.583 4.170 0.001 0.000 0.299 6 I C -1.969 174.161 176.117 0.021 0.000 1.527 6 I CA -0.751 60.554 61.300 0.009 0.000 0.979 6 I CB 1.974 39.955 38.000 -0.030 0.000 1.360 6 I HN -0.167 nan 8.210 nan 0.000 0.495 7 A N 5.786 128.613 122.820 0.011 0.000 2.356 7 A HA 0.905 5.226 4.320 0.001 0.000 0.323 7 A C -1.847 175.742 177.584 0.007 0.000 1.119 7 A CA -0.559 51.489 52.037 0.018 0.000 0.790 7 A CB 1.812 20.815 19.000 0.004 0.000 1.273 7 A HN 0.689 nan 8.150 nan 0.000 0.452 8 L N 1.694 122.925 121.223 0.014 0.000 2.436 8 L HA 0.685 5.026 4.340 0.001 0.000 0.268 8 L C -1.583 175.267 176.870 -0.033 0.000 0.974 8 L CA -0.510 54.317 54.840 -0.021 0.000 0.826 8 L CB 1.580 43.623 42.059 -0.028 0.000 1.291 8 L HN 0.667 nan 8.230 nan 0.000 0.406 9 I N 4.422 124.930 120.570 -0.103 0.000 2.378 9 I HA 0.737 4.908 4.170 0.001 0.000 0.291 9 I C 0.162 176.157 176.117 -0.203 0.000 0.992 9 I CA -0.640 60.551 61.300 -0.181 0.000 1.154 9 I CB 1.671 39.415 38.000 -0.426 0.000 1.315 9 I HN 0.790 nan 8.210 nan 0.000 0.448 10 G N 6.233 114.922 108.800 -0.184 0.000 3.393 10 G HA2 -0.057 3.904 3.960 0.001 0.000 0.676 10 G HA3 -0.057 3.904 3.960 0.001 0.000 0.676 10 G C -0.885 173.899 174.900 -0.195 0.000 1.224 10 G CA -0.944 44.064 45.100 -0.153 0.000 1.109 10 G HN 0.566 nan 8.290 nan 0.000 0.519 11 L N 1.824 122.918 121.223 -0.214 0.000 3.141 11 L HA 0.565 4.905 4.340 0.001 0.000 0.263 11 L C 1.343 178.070 176.870 -0.238 0.000 1.312 11 L CA 0.147 54.796 54.840 -0.318 0.000 1.012 11 L CB 0.106 41.934 42.059 -0.384 0.000 1.408 11 L HN 0.833 nan 8.230 nan 0.000 0.559 12 A N 0.108 122.828 122.820 -0.167 0.000 2.829 12 A HA 0.323 4.644 4.320 0.001 0.000 0.248 12 A C 1.387 178.897 177.584 -0.124 0.000 1.654 12 A CA 0.182 52.147 52.037 -0.120 0.000 0.860 12 A CB 0.267 19.218 19.000 -0.081 0.000 1.696 12 A HN -0.034 nan 8.150 nan 0.000 0.576 13 V N -0.469 119.393 119.914 -0.086 0.000 2.252 13 V HA -0.248 3.873 4.120 0.001 0.000 0.249 13 V C 2.300 178.342 176.094 -0.087 0.000 1.056 13 V CA 2.862 65.117 62.300 -0.075 0.000 1.022 13 V CB -0.674 31.116 31.823 -0.054 0.000 0.641 13 V HN 0.652 nan 8.190 nan 0.000 0.445 14 M N 0.223 119.772 119.600 -0.086 0.000 2.099 14 M HA -0.013 4.468 4.480 0.001 0.000 0.262 14 M C 2.361 178.597 176.300 -0.107 0.000 1.067 14 M CA 2.043 57.291 55.300 -0.088 0.000 1.124 14 M CB -2.208 30.347 32.600 -0.075 0.000 1.353 14 M HN 0.481 nan 8.290 nan 0.000 0.410 15 G N -0.201 108.521 108.800 -0.130 0.000 2.433 15 G HA2 -0.233 3.727 3.960 0.001 0.000 0.216 15 G HA3 -0.233 3.727 3.960 0.001 0.000 0.216 15 G C 1.535 176.310 174.900 -0.207 0.000 1.186 15 G CA 0.550 45.553 45.100 -0.162 0.000 0.779 15 G HN 0.512 nan 8.290 nan 0.000 0.543 16 Q N 0.074 119.699 119.800 -0.292 0.000 2.030 16 Q HA -0.126 4.215 4.340 0.001 0.000 0.204 16 Q C 2.587 178.556 176.000 -0.052 0.000 0.986 16 Q CA 1.309 56.913 55.803 -0.333 0.000 0.843 16 Q CB -0.230 28.327 28.738 -0.301 0.000 0.904 16 Q HN 0.429 nan 8.270 nan 0.000 0.420 17 N N 0.527 119.186 118.700 -0.069 0.000 2.188 17 N HA -0.138 4.603 4.740 0.001 0.000 0.184 17 N C 1.835 177.306 175.510 -0.065 0.000 1.018 17 N CA 0.775 53.786 53.050 -0.065 0.000 0.858 17 N CB -0.098 38.330 38.487 -0.099 0.000 0.989 17 N HN 0.125 nan 8.380 nan 0.000 0.426 18 L N 1.446 122.627 121.223 -0.070 0.000 2.093 18 L HA 0.024 4.365 4.340 0.001 0.000 0.208 18 L C 2.100 178.959 176.870 -0.018 0.000 1.085 18 L CA 0.832 55.632 54.840 -0.067 0.000 0.755 18 L CB -0.230 41.770 42.059 -0.098 0.000 0.904 18 L HN 0.083 nan 8.230 nan 0.000 0.435 19 I N -1.026 119.553 120.570 0.015 0.000 2.127 19 I HA -0.362 3.809 4.170 0.001 0.000 0.241 19 I C 2.269 178.459 176.117 0.121 0.000 1.075 19 I CA 1.531 62.887 61.300 0.094 0.000 1.334 19 I CB -0.323 37.789 38.000 0.187 0.000 1.040 19 I HN 0.238 nan 8.210 nan 0.000 0.405 20 L N 0.374 121.669 121.223 0.120 0.000 2.131 20 L HA -0.245 4.095 4.340 0.001 0.000 0.210 20 L C 2.399 179.295 176.870 0.044 0.000 1.092 20 L CA 1.156 56.038 54.840 0.071 0.000 0.759 20 L CB -0.858 41.224 42.059 0.038 0.000 0.903 20 L HN 0.392 nan 8.230 nan 0.000 0.435 21 N N 0.814 119.532 118.700 0.031 0.000 2.084 21 N HA -0.186 4.555 4.740 0.001 0.000 0.190 21 N C 1.918 177.571 175.510 0.238 0.000 1.030 21 N CA 1.716 54.821 53.050 0.092 0.000 0.849 21 N CB -0.114 38.402 38.487 0.049 0.000 1.012 21 N HN 0.213 nan 8.380 nan 0.000 0.423 22 M N 0.100 119.814 119.600 0.191 0.000 2.159 22 M HA -0.155 4.326 4.480 0.001 0.000 0.263 22 M C 1.889 178.392 176.300 0.338 0.000 1.063 22 M CA 1.415 56.897 55.300 0.303 0.000 1.110 22 M CB -0.372 32.321 32.600 0.155 0.000 1.374 22 M HN 0.205 nan 8.290 nan 0.000 0.411 23 N N 0.684 119.499 118.700 0.191 0.000 2.069 23 N HA -0.199 4.542 4.740 0.001 0.000 0.191 23 N C 1.100 176.651 175.510 0.069 0.000 1.031 23 N CA 1.736 54.860 53.050 0.122 0.000 0.852 23 N CB -0.069 38.461 38.487 0.070 0.000 1.018 23 N HN 0.177 nan 8.380 nan 0.000 0.423 24 D N -1.141 119.287 120.400 0.045 0.000 2.263 24 D HA -0.099 4.542 4.640 0.001 0.000 0.208 24 D C 0.712 176.915 176.300 -0.162 0.000 0.971 24 D CA 1.041 55.001 54.000 -0.067 0.000 0.867 24 D CB -0.263 40.472 40.800 -0.107 0.000 0.929 24 D HN 0.567 nan 8.370 nan 0.000 0.492 25 H N -1.538 117.549 119.070 0.029 0.000 2.517 25 H HA 0.350 4.907 4.556 0.002 0.000 0.282 25 H C 1.415 176.543 175.328 -0.333 0.000 1.023 25 H CA 0.470 56.486 56.048 -0.053 0.000 1.169 25 H CB 0.645 30.475 29.762 0.113 0.000 1.454 25 H HN 0.142 nan 8.280 nan 0.000 0.556 26 G N -0.166 108.538 108.800 -0.161 0.000 2.176 26 G HA2 -0.263 3.698 3.960 0.001 0.000 0.232 26 G HA3 -0.263 3.698 3.960 0.001 0.000 0.232 26 G C -0.138 174.597 174.900 -0.276 0.000 0.986 26 G CA -0.400 44.550 45.100 -0.249 0.000 0.643 26 G HN 0.186 nan 8.290 nan 0.000 0.522 27 F N 0.854 120.838 119.950 0.058 0.000 2.412 27 F HA 0.555 5.083 4.527 0.002 0.000 0.348 27 F C 0.982 176.804 175.800 0.036 0.000 1.102 27 F CA -0.810 57.216 58.000 0.044 0.000 1.196 27 F CB 1.504 40.533 39.000 0.049 0.000 1.144 27 F HN -0.056 nan 8.300 nan 0.000 0.541 28 V N 4.824 124.860 119.914 0.204 0.000 2.455 28 V HA 0.266 4.387 4.120 0.001 0.000 0.273 28 V C -0.062 176.109 176.094 0.129 0.000 1.045 28 V CA -0.424 61.952 62.300 0.127 0.000 0.976 28 V CB 0.959 32.831 31.823 0.082 0.000 0.993 28 V HN 0.504 nan 8.190 nan 0.000 0.475 29 V N 4.781 124.762 119.914 0.111 0.000 2.495 29 V HA 0.335 4.456 4.120 0.001 0.000 0.298 29 V C -0.081 176.070 176.094 0.093 0.000 1.031 29 V CA -0.629 61.731 62.300 0.101 0.000 0.871 29 V CB 1.871 33.761 31.823 0.112 0.000 0.988 29 V HN 0.972 nan 8.190 nan 0.000 0.432 30 C N 5.558 124.906 119.300 0.080 0.000 2.265 30 C HA 0.811 5.272 4.460 0.001 0.000 0.332 30 C C 0.770 175.830 174.990 0.116 0.000 1.248 30 C CA -0.494 58.577 59.018 0.088 0.000 1.727 30 C CB -0.605 27.169 27.740 0.056 0.000 2.348 30 C HN 1.044 nan 8.230 nan 0.000 0.519 31 A N 5.783 128.702 122.820 0.166 0.000 2.309 31 A HA 0.816 5.137 4.320 0.001 0.000 0.298 31 A C -0.904 176.833 177.584 0.255 0.000 1.165 31 A CA -0.225 51.925 52.037 0.189 0.000 0.821 31 A CB 0.420 19.590 19.000 0.282 0.000 1.102 31 A HN 0.967 nan 8.150 nan 0.000 0.500 32 F N 1.333 121.277 119.950 -0.011 0.000 2.645 32 F HA 0.671 5.199 4.527 0.001 0.000 0.310 32 F C -0.739 175.035 175.800 -0.044 0.000 1.102 32 F CA -0.836 57.157 58.000 -0.011 0.000 0.952 32 F CB 2.187 41.177 39.000 -0.017 0.000 1.326 32 F HN 0.675 nan 8.300 nan 0.000 0.456 33 N N 1.559 119.699 118.700 -0.933 0.000 2.504 33 N HA 0.303 5.043 4.740 0.001 0.000 0.268 33 N C 0.163 175.286 175.510 -0.646 0.000 1.184 33 N CA -0.608 52.109 53.050 -0.555 0.000 0.875 33 N CB 1.952 40.252 38.487 -0.311 0.000 1.630 33 N HN 0.675 nan 8.380 nan 0.000 0.486 34 R N 0.554 120.975 120.500 -0.131 0.000 2.097 34 R HA -0.049 4.292 4.340 0.001 0.000 0.236 34 R C -0.256 175.968 176.300 -0.126 0.000 1.135 34 R CA 1.690 57.777 56.100 -0.021 0.000 0.934 34 R CB -0.602 29.744 30.300 0.076 0.000 0.846 34 R HN 0.644 nan 8.270 nan 0.000 0.431 35 T N 1.465 115.951 114.554 -0.112 0.000 2.775 35 T HA 0.122 4.473 4.350 0.001 0.000 0.287 35 T C 1.081 175.700 174.700 -0.135 0.000 0.909 35 T CA -0.353 61.692 62.100 -0.093 0.000 1.081 35 T CB 1.472 70.304 68.868 -0.061 0.000 0.891 35 T HN 0.015 nan 8.240 nan 0.000 0.544 36 V N 3.177 123.018 119.914 -0.122 0.000 2.626 36 V HA -0.181 3.940 4.120 0.001 0.000 0.252 36 V C 2.704 178.774 176.094 -0.040 0.000 1.067 36 V CA 1.977 64.208 62.300 -0.115 0.000 1.081 36 V CB -0.800 31.019 31.823 -0.008 0.000 0.686 36 V HN 0.996 nan 8.190 nan 0.000 0.468 37 S N 0.565 116.253 115.700 -0.020 0.000 2.402 37 S HA -0.297 4.174 4.470 0.001 0.000 0.233 37 S C 1.864 176.468 174.600 0.006 0.000 1.030 37 S CA 1.621 59.822 58.200 0.002 0.000 1.003 37 S CB -0.501 62.700 63.200 0.001 0.000 0.813 37 S HN 0.657 nan 8.310 nan 0.000 0.477 38 K N 0.722 121.111 120.400 -0.019 0.000 2.283 38 K HA 0.072 4.393 4.320 0.001 0.000 0.202 38 K C 1.992 178.616 176.600 0.039 0.000 1.048 38 K CA 0.998 57.281 56.287 -0.006 0.000 0.948 38 K CB -0.406 32.062 32.500 -0.053 0.000 0.742 38 K HN 0.295 nan 8.250 nan 0.000 0.458 39 V N 2.366 122.296 119.914 0.027 0.000 2.295 39 V HA -0.266 3.855 4.120 0.001 0.000 0.246 39 V C 1.675 177.862 176.094 0.154 0.000 1.049 39 V CA 1.978 64.344 62.300 0.110 0.000 1.024 39 V CB -0.408 31.471 31.823 0.094 0.000 0.648 39 V HN 0.332 nan 8.190 nan 0.000 0.447 40 D N 0.046 120.503 120.400 0.095 0.000 2.117 40 D HA -0.158 4.483 4.640 0.001 0.000 0.198 40 D C 1.814 178.158 176.300 0.073 0.000 0.982 40 D CA 1.395 55.439 54.000 0.074 0.000 0.828 40 D CB -0.435 40.395 40.800 0.051 0.000 0.967 40 D HN 0.439 nan 8.370 nan 0.000 0.464 41 D N 0.413 120.863 120.400 0.084 0.000 2.117 41 D HA -0.151 4.490 4.640 0.001 0.000 0.197 41 D C 1.874 178.253 176.300 0.132 0.000 0.987 41 D CA 0.448 54.498 54.000 0.083 0.000 0.829 41 D CB -0.491 40.352 40.800 0.071 0.000 0.961 41 D HN 0.159 nan 8.370 nan 0.000 0.460 42 F N 1.540 121.486 119.950 -0.007 0.000 2.102 42 F HA -0.079 4.448 4.527 0.002 0.000 0.298 42 F C 2.151 177.951 175.800 -0.000 0.000 1.105 42 F CA 0.989 58.985 58.000 -0.007 0.000 1.239 42 F CB -0.527 38.467 39.000 -0.010 0.000 0.991 42 F HN -0.140 nan 8.300 nan 0.000 0.474 43 L N -0.349 120.813 121.223 -0.102 0.000 2.275 43 L HA -0.094 4.246 4.340 0.001 0.000 0.215 43 L C 2.439 179.225 176.870 -0.140 0.000 1.119 43 L CA 0.956 55.675 54.840 -0.202 0.000 0.790 43 L CB -0.839 41.181 42.059 -0.064 0.000 0.919 43 L HN 0.245 nan 8.230 nan 0.000 0.443 44 A N -1.010 121.769 122.820 -0.067 0.000 2.195 44 A HA 0.032 4.353 4.320 0.001 0.000 0.210 44 A C 1.592 179.148 177.584 -0.047 0.000 1.165 44 A CA 0.456 52.467 52.037 -0.043 0.000 0.806 44 A CB -0.040 18.954 19.000 -0.009 0.000 0.847 44 A HN 0.374 nan 8.150 nan 0.000 0.482 45 N N -0.634 118.030 118.700 -0.059 0.000 3.039 45 N HA 0.036 4.777 4.740 0.001 0.000 0.188 45 N C 1.111 176.574 175.510 -0.078 0.000 1.310 45 N CA 0.610 53.638 53.050 -0.037 0.000 1.111 45 N CB -0.581 37.916 38.487 0.017 0.000 1.311 45 N HN 0.154 nan 8.380 nan 0.000 0.490 46 E N 1.624 121.793 120.200 -0.051 0.000 2.171 46 E HA -0.035 4.316 4.350 0.001 0.000 0.197 46 E C 0.989 177.447 176.600 -0.236 0.000 0.997 46 E CA 1.382 57.751 56.400 -0.053 0.000 0.810 46 E CB -0.162 29.641 29.700 0.171 0.000 0.738 46 E HN 0.459 nan 8.360 nan 0.000 0.467 47 A N 0.118 122.616 122.820 -0.537 0.000 2.460 47 A HA 0.079 4.400 4.320 0.001 0.000 0.258 47 A C 1.663 179.069 177.584 -0.296 0.000 1.300 47 A CA 0.028 51.733 52.037 -0.553 0.000 0.913 47 A CB -0.054 18.320 19.000 -1.043 0.000 1.031 47 A HN 0.024 nan 8.150 nan 0.000 0.512 48 K N -0.000 120.279 120.400 -0.200 0.000 2.089 48 K HA -0.145 4.176 4.320 0.001 0.000 0.210 48 K C 1.404 177.948 176.600 -0.093 0.000 1.048 48 K CA 1.721 57.935 56.287 -0.122 0.000 0.926 48 K CB -0.583 31.869 32.500 -0.079 0.000 0.714 48 K HN 0.749 nan 8.250 nan 0.000 0.448 49 G N 0.572 109.321 108.800 -0.085 0.000 4.098 49 G HA2 0.235 4.196 3.960 0.001 0.000 0.300 49 G HA3 0.235 4.196 3.960 0.001 0.000 0.300 49 G C 0.169 175.034 174.900 -0.057 0.000 1.187 49 G CA 0.322 45.387 45.100 -0.059 0.000 0.964 49 G HN 0.630 nan 8.290 nan 0.000 0.559 50 T N -3.451 111.058 114.554 -0.074 0.000 2.905 50 T HA 0.475 4.826 4.350 0.001 0.000 0.283 50 T C 0.768 175.442 174.700 -0.043 0.000 1.031 50 T CA -0.695 61.369 62.100 -0.059 0.000 1.002 50 T CB 2.047 70.867 68.868 -0.080 0.000 1.200 50 T HN -0.119 nan 8.240 nan 0.000 0.560 51 K N 0.229 120.617 120.400 -0.021 0.000 2.487 51 K HA 0.330 4.650 4.320 0.001 0.000 0.192 51 K C 0.154 176.758 176.600 0.006 0.000 1.027 51 K CA -0.088 56.196 56.287 -0.004 0.000 1.054 51 K CB -0.282 32.224 32.500 0.010 0.000 0.824 51 K HN 0.408 nan 8.250 nan 0.000 0.510 52 V N 2.118 122.027 119.914 -0.008 0.000 2.655 52 V HA 0.038 4.159 4.120 0.001 0.000 0.300 52 V C 0.226 176.329 176.094 0.016 0.000 1.044 52 V CA -0.421 61.889 62.300 0.016 0.000 1.095 52 V CB 0.767 32.582 31.823 -0.013 0.000 0.952 52 V HN 0.071 nan 8.190 nan 0.000 0.485 53 V N 2.580 122.524 119.914 0.050 0.000 2.919 53 V HA 1.062 5.183 4.120 0.001 0.000 0.316 53 V C 0.244 176.392 176.094 0.090 0.000 1.077 53 V CA -0.219 62.112 62.300 0.052 0.000 0.977 53 V CB 1.702 33.551 31.823 0.044 0.000 1.039 53 V HN 0.912 nan 8.190 nan 0.000 0.441 54 G N 0.773 109.629 108.800 0.093 0.000 2.489 54 G HA2 0.884 4.845 3.960 0.001 0.000 0.327 54 G HA3 0.884 4.845 3.960 0.001 0.000 0.327 54 G C -0.737 174.243 174.900 0.133 0.000 1.189 54 G CA -0.431 44.753 45.100 0.140 0.000 0.962 54 G HN 1.607 nan 8.290 nan 0.000 0.486 55 A N -0.141 122.802 122.820 0.204 0.000 2.413 55 A HA 0.681 5.001 4.320 0.001 0.000 0.307 55 A C 0.249 178.012 177.584 0.299 0.000 1.087 55 A CA -0.569 51.563 52.037 0.158 0.000 0.750 55 A CB 1.898 20.899 19.000 0.001 0.000 1.296 55 A HN 0.430 nan 8.150 nan 0.000 0.423 56 Q N 0.096 120.015 119.800 0.199 0.000 2.356 56 Q HA 0.177 4.517 4.340 0.001 0.000 0.205 56 Q C 0.223 176.420 176.000 0.328 0.000 0.901 56 Q CA 1.002 56.964 55.803 0.265 0.000 0.938 56 Q CB 0.502 29.324 28.738 0.140 0.000 1.081 56 Q HN 0.942 nan 8.270 nan 0.000 0.517 57 S N -2.287 113.455 115.700 0.070 0.000 2.588 57 S HA 0.415 4.886 4.470 0.001 0.000 0.269 57 S C 0.544 174.749 174.600 -0.659 0.000 1.157 57 S CA -0.737 57.384 58.200 -0.132 0.000 0.824 57 S CB 0.525 63.715 63.200 -0.015 0.000 1.126 57 S HN 0.021 nan 8.310 nan 0.000 0.464 58 L N 1.443 122.324 121.223 -0.570 0.000 2.012 58 L HA -0.071 4.270 4.340 0.001 0.000 0.210 58 L C 2.833 179.545 176.870 -0.263 0.000 1.073 58 L CA 1.930 56.485 54.840 -0.476 0.000 0.748 58 L CB -0.486 41.488 42.059 -0.141 0.000 0.891 58 L HN 0.933 nan 8.230 nan 0.000 0.431 59 K N 0.331 120.639 120.400 -0.153 0.000 2.034 59 K HA -0.305 4.016 4.320 0.001 0.000 0.214 59 K C 2.092 178.633 176.600 -0.098 0.000 1.051 59 K CA 2.193 58.426 56.287 -0.090 0.000 0.931 59 K CB -0.150 32.318 32.500 -0.052 0.000 0.715 59 K HN 0.303 nan 8.250 nan 0.000 0.446 60 E N 0.313 120.444 120.200 -0.115 0.000 2.077 60 E HA -0.231 4.120 4.350 0.001 0.000 0.193 60 E C 2.129 178.667 176.600 -0.103 0.000 0.989 60 E CA 1.270 57.618 56.400 -0.087 0.000 0.800 60 E CB -0.099 29.563 29.700 -0.062 0.000 0.746 60 E HN 0.409 nan 8.360 nan 0.000 0.452 61 M N 0.409 119.896 119.600 -0.189 0.000 2.080 61 M HA -0.170 4.311 4.480 0.001 0.000 0.260 61 M C 2.163 178.403 176.300 -0.100 0.000 1.068 61 M CA 1.409 56.610 55.300 -0.165 0.000 1.109 61 M CB -0.037 32.376 32.600 -0.312 0.000 1.342 61 M HN 0.092 nan 8.290 nan 0.000 0.405 62 V N 0.843 120.694 119.914 -0.106 0.000 2.392 62 V HA -0.258 3.863 4.120 0.001 0.000 0.249 62 V C 2.562 178.631 176.094 -0.042 0.000 1.059 62 V CA 2.116 64.378 62.300 -0.062 0.000 1.051 62 V CB -1.001 30.789 31.823 -0.055 0.000 0.658 62 V HN 0.762 nan 8.190 nan 0.000 0.455 63 S N -0.235 115.439 115.700 -0.044 0.000 2.447 63 S HA -0.151 4.319 4.470 0.001 0.000 0.233 63 S C 1.705 176.293 174.600 -0.019 0.000 1.006 63 S CA 0.976 59.159 58.200 -0.028 0.000 0.957 63 S CB -0.386 62.798 63.200 -0.027 0.000 0.773 63 S HN 0.664 nan 8.310 nan 0.000 0.507 64 K N 0.554 120.942 120.400 -0.020 0.000 2.444 64 K HA 0.296 4.616 4.320 0.001 0.000 0.193 64 K C -0.126 176.473 176.600 -0.001 0.000 1.024 64 K CA 0.037 56.320 56.287 -0.006 0.000 1.077 64 K CB -0.088 32.412 32.500 -0.000 0.000 0.833 64 K HN 0.417 nan 8.250 nan 0.000 0.517 65 L N 1.918 123.136 121.223 -0.007 0.000 2.312 65 L HA 0.218 4.559 4.340 0.001 0.000 0.281 65 L C 0.056 176.923 176.870 -0.004 0.000 1.070 65 L CA -0.703 54.135 54.840 -0.004 0.000 0.805 65 L CB 1.046 43.098 42.059 -0.012 0.000 1.174 65 L HN -0.078 nan 8.230 nan 0.000 0.434 66 K N 2.997 123.399 120.400 0.003 0.000 2.326 66 K HA 0.216 4.537 4.320 0.001 0.000 0.275 66 K C -0.518 176.073 176.600 -0.015 0.000 1.018 66 K CA -0.428 55.860 56.287 0.001 0.000 0.962 66 K CB 0.644 33.153 32.500 0.015 0.000 0.953 66 K HN 0.418 nan 8.250 nan 0.000 0.475 67 K N 3.189 123.576 120.400 -0.022 0.000 2.174 67 K HA 0.234 4.555 4.320 0.001 0.000 0.275 67 K C -2.058 174.508 176.600 -0.057 0.000 1.015 67 K CA -1.720 54.540 56.287 -0.044 0.000 0.933 67 K CB 0.376 32.852 32.500 -0.041 0.000 1.025 67 K HN 0.492 nan 8.250 nan 0.000 0.463 68 P HA 0.100 nan 4.420 nan 0.000 0.271 68 P C -0.689 176.548 177.300 -0.104 0.000 1.220 68 P CA -0.161 62.846 63.100 -0.154 0.000 0.768 68 P CB 0.538 32.039 31.700 -0.332 0.000 0.848 69 R N 3.011 123.468 120.500 -0.070 0.000 2.570 69 R HA 0.229 4.570 4.340 0.001 0.000 0.277 69 R C 0.393 176.668 176.300 -0.040 0.000 1.039 69 R CA 0.030 56.104 56.100 -0.043 0.000 1.065 69 R CB 0.424 30.706 30.300 -0.031 0.000 0.964 69 R HN 0.457 nan 8.270 nan 0.000 0.428 70 R N 2.767 123.252 120.500 -0.026 0.000 2.439 70 R HA 0.407 4.748 4.340 0.001 0.000 0.310 70 R C -0.895 175.403 176.300 -0.003 0.000 0.955 70 R CA -0.630 55.461 56.100 -0.015 0.000 0.853 70 R CB 1.331 31.621 30.300 -0.016 0.000 1.171 70 R HN 0.401 nan 8.270 nan 0.000 0.449 71 I N 4.028 124.601 120.570 0.004 0.000 2.466 71 I HA 0.399 4.570 4.170 0.001 0.000 0.289 71 I C -0.407 175.714 176.117 0.007 0.000 1.026 71 I CA -0.368 60.934 61.300 0.002 0.000 1.078 71 I CB 1.931 39.932 38.000 0.001 0.000 1.249 71 I HN 0.448 nan 8.210 nan 0.000 0.429 72 I N 6.418 126.987 120.570 -0.003 0.000 2.377 72 I HA 0.414 4.585 4.170 0.001 0.000 0.293 72 I C -0.729 175.363 176.117 -0.041 0.000 0.987 72 I CA -0.662 60.637 61.300 -0.001 0.000 1.185 72 I CB 1.219 39.222 38.000 0.004 0.000 1.341 72 I HN 0.263 nan 8.210 nan 0.000 0.455 73 L N 7.285 128.492 121.223 -0.027 0.000 2.287 73 L HA 0.484 4.825 4.340 0.001 0.000 0.287 73 L C -0.392 176.463 176.870 -0.026 0.000 1.022 73 L CA -0.393 54.413 54.840 -0.057 0.000 0.814 73 L CB 1.193 43.255 42.059 0.005 0.000 1.217 73 L HN 0.513 nan 8.230 nan 0.000 0.420 74 L N 5.616 126.804 121.223 -0.058 0.000 2.637 74 L HA 0.352 4.693 4.340 0.001 0.000 0.241 74 L C -0.320 176.529 176.870 -0.035 0.000 1.398 74 L CA -0.391 54.425 54.840 -0.040 0.000 0.895 74 L CB 1.149 43.171 42.059 -0.063 0.000 1.183 74 L HN 0.466 nan 8.230 nan 0.000 0.497 75 V N -2.414 117.503 119.914 0.005 0.000 3.103 75 V HA 0.503 4.623 4.120 0.001 0.000 0.318 75 V C 0.136 176.261 176.094 0.051 0.000 1.114 75 V CA -1.304 61.019 62.300 0.038 0.000 1.020 75 V CB 1.814 33.706 31.823 0.116 0.000 1.085 75 V HN 0.407 nan 8.190 nan 0.000 0.446 76 K N 1.592 122.022 120.400 0.050 0.000 2.530 76 K HA 0.326 4.647 4.320 0.001 0.000 0.280 76 K C 0.383 177.024 176.600 0.069 0.000 1.004 76 K CA 0.518 56.833 56.287 0.047 0.000 1.071 76 K CB 0.278 32.801 32.500 0.038 0.000 0.876 76 K HN 1.224 nan 8.250 nan 0.000 0.487 77 A N 3.587 126.451 122.820 0.074 0.000 2.425 77 A HA 0.517 4.838 4.320 0.001 0.000 0.242 77 A C 0.829 178.466 177.584 0.089 0.000 1.077 77 A CA 0.582 52.673 52.037 0.090 0.000 0.781 77 A CB -0.012 19.068 19.000 0.134 0.000 1.020 77 A HN 1.134 nan 8.150 nan 0.000 0.494 78 G N -0.250 108.588 108.800 0.064 0.000 2.395 78 G HA2 -0.037 3.924 3.960 0.001 0.000 0.201 78 G HA3 -0.037 3.924 3.960 0.001 0.000 0.201 78 G C 0.640 175.557 174.900 0.028 0.000 1.206 78 G CA 0.683 45.806 45.100 0.039 0.000 1.210 78 G HN 1.041 nan 8.290 nan 0.000 0.557 79 Q N 0.583 120.393 119.800 0.016 0.000 2.170 79 Q HA 0.203 4.544 4.340 0.001 0.000 0.203 79 Q C 2.876 178.881 176.000 0.008 0.000 0.976 79 Q CA 3.365 59.169 55.803 0.001 0.000 0.858 79 Q CB -0.861 27.869 28.738 -0.012 0.000 0.907 79 Q HN 1.515 nan 8.270 nan 0.000 0.433 80 A N -0.545 122.292 122.820 0.028 0.000 1.917 80 A HA -0.199 4.122 4.320 0.001 0.000 0.219 80 A C 2.266 179.941 177.584 0.151 0.000 1.182 80 A CA 1.904 53.970 52.037 0.049 0.000 0.633 80 A CB -0.970 18.094 19.000 0.107 0.000 0.819 80 A HN 0.282 nan 8.150 nan 0.000 0.448 81 V N 0.549 120.563 119.914 0.167 0.000 2.343 81 V HA -0.240 3.881 4.120 0.001 0.000 0.247 81 V C 2.167 178.361 176.094 0.166 0.000 1.051 81 V CA 2.239 64.669 62.300 0.217 0.000 1.036 81 V CB -0.783 31.142 31.823 0.170 0.000 0.654 81 V HN 0.532 nan 8.190 nan 0.000 0.451 82 D N -0.057 120.386 120.400 0.072 0.000 2.144 82 D HA -0.164 4.477 4.640 0.001 0.000 0.199 82 D C 1.883 178.193 176.300 0.016 0.000 0.984 82 D CA 1.378 55.392 54.000 0.023 0.000 0.834 82 D CB -0.296 40.495 40.800 -0.015 0.000 0.955 82 D HN 0.415 nan 8.370 nan 0.000 0.465 83 D N 0.086 120.475 120.400 -0.020 0.000 2.104 83 D HA -0.150 4.491 4.640 0.001 0.000 0.194 83 D C 1.980 178.227 176.300 -0.087 0.000 0.994 83 D CA 0.706 54.642 54.000 -0.107 0.000 0.830 83 D CB -0.472 40.185 40.800 -0.237 0.000 0.959 83 D HN 0.195 nan 8.370 nan 0.000 0.452 84 F N 0.760 120.739 119.950 0.048 0.000 2.146 84 F HA -0.006 4.522 4.527 0.001 0.000 0.298 84 F C 2.444 178.277 175.800 0.055 0.000 1.096 84 F CA 0.400 58.441 58.000 0.067 0.000 1.275 84 F CB -0.480 38.575 39.000 0.091 0.000 1.008 84 F HN -0.054 nan 8.300 nan 0.000 0.480 85 I N -0.119 120.589 120.570 0.229 0.000 2.208 85 I HA -0.303 3.867 4.170 0.001 0.000 0.245 85 I C 2.149 178.310 176.117 0.074 0.000 1.097 85 I CA 1.594 62.973 61.300 0.131 0.000 1.363 85 I CB -0.585 37.448 38.000 0.055 0.000 1.051 85 I HN 0.200 nan 8.210 nan 0.000 0.413 86 E N 0.875 121.101 120.200 0.044 0.000 2.110 86 E HA -0.217 4.133 4.350 0.001 0.000 0.193 86 E C 2.141 178.758 176.600 0.027 0.000 0.988 86 E CA 1.084 57.494 56.400 0.016 0.000 0.804 86 E CB -0.022 29.674 29.700 -0.008 0.000 0.745 86 E HN 0.446 nan 8.360 nan 0.000 0.458 87 K N 0.293 120.722 120.400 0.048 0.000 2.155 87 K HA -0.025 4.296 4.320 0.001 0.000 0.203 87 K C 2.131 178.772 176.600 0.068 0.000 1.052 87 K CA 0.599 56.919 56.287 0.055 0.000 0.948 87 K CB 0.086 32.627 32.500 0.068 0.000 0.728 87 K HN 0.142 nan 8.250 nan 0.000 0.448 88 L N 0.446 121.726 121.223 0.095 0.000 2.131 88 L HA -0.112 4.229 4.340 0.001 0.000 0.206 88 L C 2.278 179.175 176.870 0.045 0.000 1.087 88 L CA 0.435 55.320 54.840 0.076 0.000 0.767 88 L CB -0.297 41.822 42.059 0.101 0.000 0.917 88 L HN -0.086 nan 8.230 nan 0.000 0.441 89 V N 0.854 120.794 119.914 0.042 0.000 2.282 89 V HA -0.208 3.913 4.120 0.001 0.000 0.249 89 V C -0.262 175.840 176.094 0.015 0.000 1.057 89 V CA 2.158 64.474 62.300 0.026 0.000 1.032 89 V CB -1.723 30.110 31.823 0.016 0.000 0.645 89 V HN 0.391 nan 8.190 nan 0.000 0.447 90 P HA -0.067 nan 4.420 nan 0.000 0.226 90 P C 1.566 178.868 177.300 0.003 0.000 1.153 90 P CA 1.194 64.297 63.100 0.005 0.000 0.777 90 P CB -0.003 31.700 31.700 0.004 0.000 0.794 91 L N -1.857 119.369 121.223 0.005 0.000 2.529 91 L HA 0.132 4.472 4.340 0.001 0.000 0.223 91 L C 1.344 178.210 176.870 -0.005 0.000 1.113 91 L CA 0.109 54.947 54.840 -0.003 0.000 0.861 91 L CB -0.187 41.867 42.059 -0.008 0.000 1.012 91 L HN -0.078 nan 8.230 nan 0.000 0.461 92 L N -0.846 120.377 121.223 0.001 0.000 2.358 92 L HA 0.376 4.717 4.340 0.001 0.000 0.268 92 L C -0.519 176.348 176.870 -0.006 0.000 1.032 92 L CA -0.719 54.120 54.840 -0.002 0.000 0.805 92 L CB 1.207 43.270 42.059 0.007 0.000 1.253 92 L HN -0.078 nan 8.230 nan 0.000 0.452 93 D N -0.444 119.949 120.400 -0.012 0.000 2.326 93 D HA 0.228 4.869 4.640 0.001 0.000 0.248 93 D C -0.418 175.872 176.300 -0.017 0.000 1.001 93 D CA -0.376 53.615 54.000 -0.015 0.000 0.961 93 D CB 1.730 42.517 40.800 -0.021 0.000 1.183 93 D HN 0.376 nan 8.370 nan 0.000 0.502 94 T N 0.174 114.719 114.554 -0.016 0.000 2.905 94 T HA 0.362 4.713 4.350 0.001 0.000 0.299 94 T C 1.255 175.936 174.700 -0.032 0.000 1.024 94 T CA 1.223 63.313 62.100 -0.016 0.000 1.151 94 T CB 0.413 69.274 68.868 -0.013 0.000 0.987 94 T HN 0.649 nan 8.240 nan 0.000 0.535 95 G N 3.423 112.202 108.800 -0.035 0.000 2.194 95 G HA2 -0.193 3.768 3.960 0.001 0.000 0.236 95 G HA3 -0.193 3.768 3.960 0.001 0.000 0.236 95 G C -0.058 174.782 174.900 -0.100 0.000 0.987 95 G CA -0.236 44.822 45.100 -0.070 0.000 0.635 95 G HN 0.667 nan 8.290 nan 0.000 0.520 96 D N 0.146 120.510 120.400 -0.061 0.000 2.368 96 D HA 0.571 5.212 4.640 0.001 0.000 0.240 96 D C 0.684 176.968 176.300 -0.026 0.000 1.169 96 D CA 0.404 54.372 54.000 -0.054 0.000 0.906 96 D CB 0.859 41.643 40.800 -0.026 0.000 1.187 96 D HN 0.330 nan 8.370 nan 0.000 0.435 97 I N 1.498 122.055 120.570 -0.021 0.000 2.447 97 I HA 0.323 4.494 4.170 0.001 0.000 0.287 97 I C -0.469 175.664 176.117 0.028 0.000 1.023 97 I CA -0.501 60.800 61.300 0.003 0.000 1.083 97 I CB 1.521 39.503 38.000 -0.030 0.000 1.245 97 I HN 0.065 nan 8.210 nan 0.000 0.434 98 I N 7.042 127.657 120.570 0.074 0.000 2.404 98 I HA 0.458 4.629 4.170 0.001 0.000 0.293 98 I C -0.698 175.366 176.117 -0.088 0.000 0.992 98 I CA -0.553 60.797 61.300 0.084 0.000 1.149 98 I CB 1.795 39.944 38.000 0.249 0.000 1.315 98 I HN 0.375 nan 8.210 nan 0.000 0.446 99 I N 4.958 125.474 120.570 -0.090 0.000 2.420 99 I HA 0.194 4.365 4.170 0.001 0.000 0.282 99 I C -0.534 175.524 176.117 -0.099 0.000 1.019 99 I CA -0.377 60.822 61.300 -0.169 0.000 1.130 99 I CB 1.327 39.328 38.000 0.001 0.000 1.262 99 I HN 0.440 nan 8.210 nan 0.000 0.454 100 D N 4.957 125.244 120.400 -0.189 0.000 2.365 100 D HA 0.259 4.900 4.640 0.001 0.000 0.237 100 D C 1.050 177.422 176.300 0.119 0.000 1.190 100 D CA -0.101 53.931 54.000 0.053 0.000 0.867 100 D CB 1.496 42.445 40.800 0.248 0.000 1.050 100 D HN 0.678 nan 8.370 nan 0.000 0.491 101 G N 2.622 111.484 108.800 0.104 0.000 3.088 101 G HA2 0.253 4.214 3.960 0.001 0.000 0.217 101 G HA3 0.253 4.214 3.960 0.001 0.000 0.217 101 G C 0.792 175.757 174.900 0.109 0.000 1.159 101 G CA 0.023 45.188 45.100 0.108 0.000 0.760 101 G HN 0.558 nan 8.290 nan 0.000 0.550 102 G N 0.119 108.978 108.800 0.099 0.000 2.621 102 G HA2 0.272 4.233 3.960 0.001 0.000 0.271 102 G HA3 0.272 4.233 3.960 0.001 0.000 0.271 102 G C -0.113 174.778 174.900 -0.014 0.000 1.236 102 G CA -0.666 44.457 45.100 0.038 0.000 0.958 102 G HN 0.075 nan 8.290 nan 0.000 0.512 103 N N 0.625 119.316 118.700 -0.015 0.000 3.050 103 N HA 0.182 4.923 4.740 0.001 0.000 0.289 103 N C -0.145 175.392 175.510 0.044 0.000 1.209 103 N CA 0.100 53.149 53.050 -0.002 0.000 1.154 103 N CB 0.453 38.953 38.487 0.023 0.000 1.444 103 N HN 0.199 nan 8.380 nan 0.000 0.529 104 S N 0.217 115.734 115.700 -0.305 0.000 2.585 104 S HA 0.107 4.578 4.470 0.001 0.000 0.277 104 S C 0.436 174.852 174.600 -0.305 0.000 1.241 104 S CA -0.787 57.246 58.200 -0.278 0.000 1.041 104 S CB 1.708 64.700 63.200 -0.347 0.000 0.987 104 S HN 0.503 nan 8.310 nan 0.000 0.512 105 E N 1.353 121.247 120.200 -0.510 0.000 2.384 105 E HA -0.027 4.324 4.350 0.001 0.000 0.266 105 E C 0.649 177.087 176.600 -0.269 0.000 1.012 105 E CA -0.349 55.642 56.400 -0.681 0.000 0.901 105 E CB 0.298 29.330 29.700 -1.113 0.000 0.967 105 E HN 0.765 nan 8.360 nan 0.000 0.435 106 Y N 4.387 124.635 120.300 -0.086 0.000 2.256 106 Y HA -0.191 4.359 4.550 0.001 0.000 0.288 106 Y C 1.878 177.802 175.900 0.040 0.000 1.155 106 Y CA 1.241 59.395 58.100 0.090 0.000 1.203 106 Y CB -0.320 38.305 38.460 0.275 0.000 0.980 106 Y HN 0.474 nan 8.280 nan 0.000 0.530 107 R N 0.516 120.574 120.500 -0.736 0.000 2.096 107 R HA -0.142 4.199 4.340 0.001 0.000 0.235 107 R C 1.716 177.878 176.300 -0.230 0.000 1.127 107 R CA 1.532 57.334 56.100 -0.497 0.000 0.968 107 R CB -0.331 29.614 30.300 -0.591 0.000 0.861 107 R HN 0.424 nan 8.270 nan 0.000 0.440 108 D N -0.507 119.755 120.400 -0.230 0.000 2.117 108 D HA -0.110 4.531 4.640 0.001 0.000 0.197 108 D C 1.722 178.002 176.300 -0.033 0.000 0.987 108 D CA 1.482 55.402 54.000 -0.134 0.000 0.829 108 D CB -0.198 40.515 40.800 -0.146 0.000 0.961 108 D HN 0.180 nan 8.370 nan 0.000 0.460 109 T N -0.057 114.542 114.554 0.074 0.000 2.777 109 T HA -0.099 4.252 4.350 0.001 0.000 0.266 109 T C 2.040 176.840 174.700 0.168 0.000 1.040 109 T CA 1.448 63.703 62.100 0.257 0.000 1.141 109 T CB -0.476 68.643 68.868 0.419 0.000 0.868 109 T HN 0.107 nan 8.240 nan 0.000 0.444 110 T N 1.605 116.221 114.554 0.104 0.000 2.684 110 T HA -0.126 4.224 4.350 0.001 0.000 0.267 110 T C 2.072 176.788 174.700 0.026 0.000 1.036 110 T CA 1.286 63.438 62.100 0.087 0.000 1.148 110 T CB -0.193 68.731 68.868 0.092 0.000 0.863 110 T HN 0.339 nan 8.240 nan 0.000 0.436 111 R N 0.781 121.265 120.500 -0.026 0.000 2.080 111 R HA -0.092 4.249 4.340 0.001 0.000 0.236 111 R C 2.513 178.743 176.300 -0.117 0.000 1.137 111 R CA 1.578 57.641 56.100 -0.062 0.000 0.943 111 R CB -0.146 30.105 30.300 -0.082 0.000 0.846 111 R HN 0.313 nan 8.270 nan 0.000 0.431 112 R N -0.182 120.194 120.500 -0.206 0.000 2.096 112 R HA -0.155 4.186 4.340 0.001 0.000 0.235 112 R C 2.630 178.660 176.300 -0.451 0.000 1.127 112 R CA 1.540 57.368 56.100 -0.452 0.000 0.968 112 R CB -0.796 29.010 30.300 -0.824 0.000 0.861 112 R HN 0.369 nan 8.270 nan 0.000 0.440 113 C N 0.744 119.933 119.300 -0.186 0.000 2.432 113 C HA -0.078 4.383 4.460 0.001 0.000 0.277 113 C C 2.550 177.561 174.990 0.035 0.000 1.249 113 C CA 0.951 60.022 59.018 0.088 0.000 1.725 113 C CB -0.655 27.235 27.740 0.249 0.000 2.028 113 C HN 0.405 nan 8.230 nan 0.000 0.477 114 R N 0.312 120.817 120.500 0.008 0.000 2.075 114 R HA -0.106 4.235 4.340 0.001 0.000 0.232 114 R C 1.960 178.250 176.300 -0.015 0.000 1.126 114 R CA 1.945 58.051 56.100 0.011 0.000 0.963 114 R CB -0.557 29.752 30.300 0.014 0.000 0.858 114 R HN 0.674 nan 8.270 nan 0.000 0.435 115 D N 0.813 121.180 120.400 -0.055 0.000 2.084 115 D HA -0.151 4.490 4.640 0.001 0.000 0.194 115 D C 1.800 178.070 176.300 -0.049 0.000 0.990 115 D CA 1.286 55.250 54.000 -0.060 0.000 0.826 115 D CB -0.016 40.727 40.800 -0.094 0.000 0.971 115 D HN 0.107 nan 8.370 nan 0.000 0.453 116 L N -0.226 120.956 121.223 -0.069 0.000 2.093 116 L HA -0.073 4.268 4.340 0.001 0.000 0.208 116 L C 2.640 179.519 176.870 0.015 0.000 1.085 116 L CA 0.927 55.750 54.840 -0.029 0.000 0.755 116 L CB -0.489 41.553 42.059 -0.028 0.000 0.904 116 L HN 0.092 nan 8.230 nan 0.000 0.435 117 K N 0.794 121.212 120.400 0.029 0.000 2.063 117 K HA -0.214 4.106 4.320 0.001 0.000 0.208 117 K C 2.112 178.724 176.600 0.020 0.000 1.048 117 K CA 1.508 57.818 56.287 0.038 0.000 0.928 117 K CB -0.125 32.403 32.500 0.048 0.000 0.713 117 K HN 0.262 nan 8.250 nan 0.000 0.442 118 A N 1.002 123.828 122.820 0.010 0.000 2.024 118 A HA -0.147 4.174 4.320 0.001 0.000 0.220 118 A C 1.470 179.056 177.584 0.002 0.000 1.164 118 A CA 1.531 53.570 52.037 0.005 0.000 0.643 118 A CB -0.202 18.797 19.000 -0.001 0.000 0.806 118 A HN 0.330 nan 8.150 nan 0.000 0.451 119 K N -1.585 118.816 120.400 0.002 0.000 2.397 119 K HA 0.298 4.619 4.320 0.001 0.000 0.202 119 K C 0.893 177.496 176.600 0.006 0.000 1.022 119 K CA 0.386 56.673 56.287 0.001 0.000 1.141 119 K CB 0.169 32.667 32.500 -0.003 0.000 0.857 119 K HN 0.580 nan 8.250 nan 0.000 0.514 120 G N 1.790 110.596 108.800 0.010 0.000 2.159 120 G HA2 -0.266 3.695 3.960 0.001 0.000 0.256 120 G HA3 -0.266 3.695 3.960 0.001 0.000 0.256 120 G C 0.071 174.979 174.900 0.015 0.000 0.977 120 G CA -0.095 45.011 45.100 0.010 0.000 0.652 120 G HN 0.270 nan 8.290 nan 0.000 0.531 121 I N 1.075 121.662 120.570 0.028 0.000 2.377 121 I HA 0.425 4.596 4.170 0.001 0.000 0.293 121 I C 0.643 176.810 176.117 0.084 0.000 0.987 121 I CA -0.993 60.335 61.300 0.047 0.000 1.185 121 I CB 1.460 39.494 38.000 0.056 0.000 1.341 121 I HN -0.072 nan 8.210 nan 0.000 0.455 122 L N 6.364 127.635 121.223 0.080 0.000 2.278 122 L HA 0.340 4.681 4.340 0.001 0.000 0.287 122 L C -0.649 176.324 176.870 0.171 0.000 1.072 122 L CA -0.177 54.724 54.840 0.102 0.000 0.819 122 L CB 0.318 42.405 42.059 0.047 0.000 1.176 122 L HN 0.430 nan 8.230 nan 0.000 0.435 123 F N 4.412 124.387 119.950 0.041 0.000 2.427 123 F HA 0.576 5.103 4.527 0.001 0.000 0.346 123 F C -0.406 175.432 175.800 0.064 0.000 1.120 123 F CA -0.623 57.405 58.000 0.046 0.000 1.033 123 F CB 1.446 40.469 39.000 0.038 0.000 1.126 123 F HN 0.029 nan 8.300 nan 0.000 0.462 124 V N 5.184 124.722 119.914 -0.627 0.000 2.448 124 V HA 0.633 4.754 4.120 0.001 0.000 0.295 124 V C 0.171 175.761 176.094 -0.841 0.000 1.025 124 V CA -0.739 61.266 62.300 -0.491 0.000 0.859 124 V CB 1.443 33.136 31.823 -0.215 0.000 0.988 124 V HN 0.950 nan 8.190 nan 0.000 0.431 125 G N 2.171 110.574 108.800 -0.662 0.000 2.384 125 G HA2 0.538 4.499 3.960 0.001 0.000 0.316 125 G HA3 0.538 4.499 3.960 0.001 0.000 0.316 125 G C -0.541 173.844 174.900 -0.857 0.000 1.160 125 G CA -0.304 44.367 45.100 -0.714 0.000 0.936 125 G HN 0.655 nan 8.290 nan 0.000 0.455 126 S N 1.460 116.821 115.700 -0.565 0.000 2.532 126 S HA 0.722 5.193 4.470 0.001 0.000 0.299 126 S C 0.538 175.097 174.600 -0.070 0.000 1.105 126 S CA -0.297 57.729 58.200 -0.291 0.000 1.018 126 S CB 1.153 64.362 63.200 0.015 0.000 1.021 126 S HN 0.943 nan 8.310 nan 0.000 0.483 127 G N 2.255 111.028 108.800 -0.046 0.000 2.467 127 G HA2 0.527 4.488 3.960 0.001 0.000 0.257 127 G HA3 0.527 4.488 3.960 0.001 0.000 0.257 127 G C -0.910 173.987 174.900 -0.006 0.000 1.227 127 G CA -0.294 44.837 45.100 0.052 0.000 0.835 127 G HN 0.773 nan 8.290 nan 0.000 0.556 128 V N 0.917 120.809 119.914 -0.037 0.000 2.531 128 V HA 0.608 4.729 4.120 0.001 0.000 0.301 128 V C 0.108 176.119 176.094 -0.139 0.000 1.034 128 V CA -0.769 61.484 62.300 -0.078 0.000 0.865 128 V CB 1.423 33.201 31.823 -0.075 0.000 0.995 128 V HN 0.842 nan 8.190 nan 0.000 0.424 129 S N 2.604 118.209 115.700 -0.158 0.000 2.607 129 S HA 0.841 5.312 4.470 0.001 0.000 0.303 129 S C 0.728 175.247 174.600 -0.135 0.000 1.086 129 S CA 0.557 58.630 58.200 -0.212 0.000 0.995 129 S CB 1.730 64.734 63.200 -0.326 0.000 1.084 129 S HN 1.894 nan 8.310 nan 0.000 0.507 130 G N 1.009 109.720 108.800 -0.149 0.000 2.229 130 G HA2 0.204 4.165 3.960 0.001 0.000 0.189 130 G HA3 0.204 4.165 3.960 0.001 0.000 0.189 130 G C 1.303 176.122 174.900 -0.135 0.000 1.000 130 G CA 0.412 45.405 45.100 -0.178 0.000 0.663 130 G HN 2.009 nan 8.290 nan 0.000 0.493 131 G N 0.362 109.105 108.800 -0.095 0.000 2.578 131 G HA2 -0.239 3.722 3.960 0.001 0.000 0.275 131 G HA3 -0.239 3.722 3.960 0.001 0.000 0.275 131 G C 0.835 175.706 174.900 -0.047 0.000 1.271 131 G CA 1.277 46.342 45.100 -0.057 0.000 0.941 131 G HN 1.396 nan 8.290 nan 0.000 0.564 132 E N -0.308 119.876 120.200 -0.027 0.000 2.058 132 E HA -0.227 4.124 4.350 0.001 0.000 0.194 132 E C 2.230 178.817 176.600 -0.021 0.000 0.997 132 E CA 2.068 58.452 56.400 -0.028 0.000 0.801 132 E CB -0.199 29.494 29.700 -0.012 0.000 0.746 132 E HN 0.555 nan 8.360 nan 0.000 0.450 133 E N -0.285 119.932 120.200 0.029 0.000 2.072 133 E HA -0.100 4.251 4.350 0.001 0.000 0.191 133 E C 1.937 178.585 176.600 0.081 0.000 0.985 133 E CA 1.633 58.093 56.400 0.101 0.000 0.801 133 E CB -0.627 29.165 29.700 0.153 0.000 0.750 133 E HN 0.370 nan 8.360 nan 0.000 0.452 134 G N 0.291 109.097 108.800 0.010 0.000 2.421 134 G HA2 -0.252 3.709 3.960 0.001 0.000 0.216 134 G HA3 -0.252 3.709 3.960 0.001 0.000 0.216 134 G C 1.712 176.595 174.900 -0.028 0.000 1.171 134 G CA 1.010 46.104 45.100 -0.010 0.000 0.775 134 G HN 0.439 nan 8.290 nan 0.000 0.543 135 A N 0.631 123.413 122.820 -0.063 0.000 1.940 135 A HA -0.044 4.277 4.320 0.001 0.000 0.219 135 A C 2.350 179.866 177.584 -0.113 0.000 1.176 135 A CA 2.216 54.202 52.037 -0.086 0.000 0.631 135 A CB -0.370 18.575 19.000 -0.091 0.000 0.814 135 A HN 0.320 nan 8.150 nan 0.000 0.446 136 R N -1.590 118.803 120.500 -0.178 0.000 2.073 136 R HA -0.063 4.278 4.340 0.001 0.000 0.229 136 R C 1.194 177.200 176.300 -0.490 0.000 1.120 136 R CA 1.907 57.766 56.100 -0.401 0.000 0.967 136 R CB -0.532 29.393 30.300 -0.624 0.000 0.862 136 R HN 0.593 nan 8.270 nan 0.000 0.436 137 Y N -2.672 117.654 120.300 0.043 0.000 2.467 137 Y HA 0.502 5.053 4.550 0.001 0.000 0.259 137 Y C 0.396 176.346 175.900 0.084 0.000 1.084 137 Y CA 0.125 58.264 58.100 0.066 0.000 1.275 137 Y CB 1.391 39.881 38.460 0.049 0.000 1.208 137 Y HN 0.146 nan 8.280 nan 0.000 0.511 138 G N 1.645 110.539 108.800 0.158 0.000 2.213 138 G HA2 0.242 4.203 3.960 0.001 0.000 0.249 138 G HA3 0.242 4.203 3.960 0.001 0.000 0.249 138 G C -3.463 171.462 174.900 0.041 0.000 2.618 138 G CA -0.854 44.306 45.100 0.099 0.000 0.788 138 G HN -0.241 nan 8.290 nan 0.000 0.498 139 P HA 0.543 nan 4.420 nan 0.000 0.283 139 P C 0.105 177.400 177.300 -0.007 0.000 1.271 139 P CA -0.466 62.616 63.100 -0.031 0.000 0.841 139 P CB 2.069 33.724 31.700 -0.074 0.000 1.122 140 S N 0.987 116.693 115.700 0.010 0.000 2.528 140 S HA 0.381 4.851 4.470 0.001 0.000 0.277 140 S C -0.302 174.316 174.600 0.030 0.000 1.297 140 S CA -0.516 57.722 58.200 0.064 0.000 1.052 140 S CB -0.937 62.358 63.200 0.158 0.000 0.917 140 S HN 0.243 nan 8.310 nan 0.000 0.492 141 L N 5.268 126.522 121.223 0.051 0.000 2.341 141 L HA 0.526 4.867 4.340 0.001 0.000 0.278 141 L C -0.494 176.408 176.870 0.054 0.000 1.005 141 L CA -0.432 54.443 54.840 0.058 0.000 0.818 141 L CB 1.756 43.882 42.059 0.112 0.000 1.259 141 L HN 0.644 nan 8.230 nan 0.000 0.418 142 M N 4.847 124.445 119.600 -0.003 0.000 2.386 142 M HA 0.316 4.797 4.480 0.001 0.000 0.245 142 M C -2.556 173.578 176.300 -0.277 0.000 0.982 142 M CA -1.485 53.736 55.300 -0.131 0.000 0.860 142 M CB 1.072 33.622 32.600 -0.083 0.000 1.371 142 M HN 0.149 nan 8.290 nan 0.000 0.425 143 P HA 0.410 nan 4.420 nan 0.000 0.281 143 P C -0.077 176.494 177.300 -1.215 0.000 1.252 143 P CA 0.025 62.778 63.100 -0.579 0.000 0.778 143 P CB 1.301 32.729 31.700 -0.454 0.000 0.895 144 G N 0.686 108.761 108.800 -1.208 0.000 2.766 144 G HA2 0.743 4.704 3.960 0.001 0.000 0.288 144 G HA3 0.743 4.704 3.960 0.001 0.000 0.288 144 G C -0.415 173.972 174.900 -0.855 0.000 1.408 144 G CA -0.484 43.691 45.100 -1.542 0.000 0.852 144 G HN 0.751 nan 8.290 nan 0.000 0.487 145 G N -0.036 108.525 108.800 -0.399 0.000 2.254 145 G HA2 -0.041 3.920 3.960 0.001 0.000 0.193 145 G HA3 -0.041 3.920 3.960 0.001 0.000 0.193 145 G C -0.573 174.537 174.900 0.350 0.000 1.233 145 G CA 0.073 45.198 45.100 0.041 0.000 1.290 145 G HN 1.148 nan 8.290 nan 0.000 0.517 146 N N 1.536 120.432 118.700 0.327 0.000 2.439 146 N HA 0.250 4.991 4.740 0.001 0.000 0.243 146 N C 1.059 176.581 175.510 0.020 0.000 1.088 146 N CA 0.044 53.208 53.050 0.189 0.000 0.940 146 N CB 1.209 39.779 38.487 0.138 0.000 1.180 146 N HN 0.636 nan 8.380 nan 0.000 0.505 147 K N 2.214 122.496 120.400 -0.197 0.000 2.442 147 K HA -0.146 4.175 4.320 0.001 0.000 0.198 147 K C 1.188 177.496 176.600 -0.487 0.000 1.044 147 K CA 0.906 56.666 56.287 -0.878 0.000 0.948 147 K CB 0.225 32.208 32.500 -0.862 0.000 0.762 147 K HN 0.617 nan 8.250 nan 0.000 0.472 148 E N -0.312 119.764 120.200 -0.207 0.000 2.333 148 E HA -0.158 4.192 4.350 0.001 0.000 0.198 148 E C 1.375 177.966 176.600 -0.015 0.000 1.007 148 E CA 0.830 57.174 56.400 -0.093 0.000 0.845 148 E CB 0.046 29.732 29.700 -0.024 0.000 0.766 148 E HN 0.409 nan 8.360 nan 0.000 0.507 149 A N 0.935 123.733 122.820 -0.036 0.000 2.021 149 A HA -0.087 4.234 4.320 0.001 0.000 0.216 149 A C 1.881 179.480 177.584 0.025 0.000 1.163 149 A CA 0.356 52.431 52.037 0.063 0.000 0.676 149 A CB -1.017 18.013 19.000 0.049 0.000 0.818 149 A HN 0.684 nan 8.150 nan 0.000 0.453 150 W N 1.758 122.820 121.300 -0.396 0.000 2.318 150 W HA -0.177 4.483 4.660 0.001 0.000 0.313 150 W C -1.366 174.981 176.519 -0.286 0.000 1.221 150 W CA 2.091 59.198 57.345 -0.397 0.000 1.266 150 W CB -0.951 28.098 29.460 -0.686 0.000 1.150 150 W HN 0.276 nan 8.180 nan 0.000 0.496 151 P HA -0.166 nan 4.420 nan 0.000 0.219 151 P C 0.453 177.408 177.300 -0.575 0.000 1.146 151 P CA 2.034 64.781 63.100 -0.588 0.000 0.808 151 P CB -0.391 30.974 31.700 -0.558 0.000 0.779 152 H N -1.836 117.083 119.070 -0.253 0.000 2.548 152 H HA 0.181 4.737 4.556 0.001 0.000 0.265 152 H C 1.666 176.865 175.328 -0.214 0.000 0.969 152 H CA 0.484 56.417 56.048 -0.191 0.000 1.155 152 H CB -0.300 29.387 29.762 -0.125 0.000 1.394 152 H HN 0.252 nan 8.280 nan 0.000 0.570 153 I N -2.980 117.450 120.570 -0.234 0.000 4.403 153 I HA 0.212 4.383 4.170 0.001 0.000 0.331 153 I C 1.799 177.668 176.117 -0.414 0.000 1.327 153 I CA -0.115 61.029 61.300 -0.260 0.000 1.175 153 I CB 0.288 38.098 38.000 -0.317 0.000 1.165 153 I HN -0.127 nan 8.210 nan 0.000 0.413 154 K N 1.824 121.747 120.400 -0.795 0.000 2.074 154 K HA -0.154 4.166 4.320 0.001 0.000 0.209 154 K C 1.780 178.147 176.600 -0.390 0.000 1.048 154 K CA 2.513 58.169 56.287 -1.051 0.000 0.926 154 K CB -0.172 31.566 32.500 -1.271 0.000 0.713 154 K HN 0.398 nan 8.250 nan 0.000 0.444 155 T N 1.432 115.833 114.554 -0.256 0.000 2.737 155 T HA -0.088 4.263 4.350 0.001 0.000 0.265 155 T C 1.868 176.571 174.700 0.006 0.000 1.038 155 T CA 1.514 63.569 62.100 -0.075 0.000 1.144 155 T CB -0.129 68.730 68.868 -0.014 0.000 0.866 155 T HN 0.190 nan 8.240 nan 0.000 0.434 156 I N -0.055 120.449 120.570 -0.109 0.000 2.179 156 I HA -0.124 4.047 4.170 0.001 0.000 0.242 156 I C 2.121 178.191 176.117 -0.078 0.000 1.088 156 I CA 1.358 62.462 61.300 -0.326 0.000 1.357 156 I CB -0.393 37.238 38.000 -0.615 0.000 1.051 156 I HN 0.124 nan 8.210 nan 0.000 0.409 157 F N 1.354 121.199 119.950 -0.174 0.000 2.069 157 F HA -0.248 4.280 4.527 0.002 0.000 0.298 157 F C 2.761 178.552 175.800 -0.014 0.000 1.113 157 F CA 1.663 59.632 58.000 -0.053 0.000 1.214 157 F CB -0.704 38.346 39.000 0.083 0.000 0.978 157 F HN 0.088 nan 8.300 nan 0.000 0.474 158 Q N -0.710 119.197 119.800 0.178 0.000 2.297 158 Q HA -0.056 4.285 4.340 0.001 0.000 0.204 158 Q C 2.507 178.524 176.000 0.027 0.000 0.962 158 Q CA 0.907 56.779 55.803 0.115 0.000 0.879 158 Q CB -0.563 28.239 28.738 0.106 0.000 0.947 158 Q HN 0.522 nan 8.270 nan 0.000 0.462 159 G N 1.898 110.699 108.800 0.002 0.000 2.402 159 G HA2 -0.212 3.749 3.960 0.001 0.000 0.216 159 G HA3 -0.212 3.749 3.960 0.001 0.000 0.216 159 G C 1.484 176.188 174.900 -0.326 0.000 1.162 159 G CA 0.893 45.959 45.100 -0.057 0.000 0.777 159 G HN 0.499 nan 8.290 nan 0.000 0.539 160 I N -1.400 118.995 120.570 -0.292 0.000 3.728 160 I HA 0.571 4.741 4.170 0.001 0.000 0.307 160 I C 1.314 177.341 176.117 -0.150 0.000 1.276 160 I CA -0.313 60.766 61.300 -0.368 0.000 1.285 160 I CB 0.096 37.974 38.000 -0.204 0.000 1.038 160 I HN 0.083 nan 8.210 nan 0.000 0.445 161 A N 2.023 124.789 122.820 -0.090 0.000 2.386 161 A HA 0.662 4.983 4.320 0.001 0.000 0.248 161 A C 0.841 178.440 177.584 0.026 0.000 1.082 161 A CA 0.089 52.115 52.037 -0.018 0.000 0.789 161 A CB 0.041 19.061 19.000 0.032 0.000 1.025 161 A HN 0.536 nan 8.150 nan 0.000 0.490 162 A N 2.135 124.983 122.820 0.046 0.000 2.587 162 A HA 0.387 4.708 4.320 0.001 0.000 0.235 162 A C 0.304 177.931 177.584 0.071 0.000 1.044 162 A CA 0.335 52.413 52.037 0.068 0.000 0.754 162 A CB -0.091 18.948 19.000 0.066 0.000 0.968 162 A HN 0.634 nan 8.150 nan 0.000 0.509 163 K N 1.407 121.852 120.400 0.076 0.000 2.164 163 K HA 0.569 4.890 4.320 0.001 0.000 0.258 163 K C -0.237 176.404 176.600 0.069 0.000 0.951 163 K CA -0.500 55.830 56.287 0.071 0.000 0.844 163 K CB 1.601 34.145 32.500 0.072 0.000 1.099 163 K HN 0.695 nan 8.250 nan 0.000 0.435 164 V N -1.829 118.125 119.914 0.067 0.000 2.919 164 V HA 0.732 4.853 4.120 0.001 0.000 0.316 164 V C 1.183 177.311 176.094 0.056 0.000 1.077 164 V CA -0.056 62.283 62.300 0.064 0.000 0.977 164 V CB 1.026 32.891 31.823 0.070 0.000 1.039 164 V HN 0.905 nan 8.190 nan 0.000 0.441 165 G N 1.996 110.827 108.800 0.051 0.000 2.713 165 G HA2 -0.445 3.516 3.960 0.001 0.000 0.368 165 G HA3 -0.445 3.516 3.960 0.001 0.000 0.368 165 G C 1.163 176.087 174.900 0.041 0.000 1.095 165 G CA 2.178 47.305 45.100 0.044 0.000 0.935 165 G HN 2.160 nan 8.290 nan 0.000 0.696 166 T N 0.336 114.914 114.554 0.040 0.000 3.163 166 T HA 0.494 4.844 4.350 0.001 0.000 0.260 166 T C 2.664 177.388 174.700 0.040 0.000 1.156 166 T CA 2.022 64.144 62.100 0.037 0.000 1.072 166 T CB -0.410 68.479 68.868 0.035 0.000 0.937 166 T HN 2.571 nan 8.240 nan 0.000 0.528 167 G N 1.048 109.875 108.800 0.046 0.000 2.144 167 G HA2 -0.147 3.814 3.960 0.001 0.000 0.218 167 G HA3 -0.147 3.814 3.960 0.001 0.000 0.218 167 G C -0.181 174.751 174.900 0.053 0.000 0.988 167 G CA -0.003 45.126 45.100 0.050 0.000 0.659 167 G HN 0.731 nan 8.290 nan 0.000 0.522 168 E N 1.434 121.666 120.200 0.054 0.000 2.344 168 E HA 0.425 4.776 4.350 0.001 0.000 0.270 168 E C -2.417 174.224 176.600 0.067 0.000 1.021 168 E CA -1.577 54.858 56.400 0.059 0.000 0.887 168 E CB 0.790 30.523 29.700 0.056 0.000 0.997 168 E HN 0.219 nan 8.360 nan 0.000 0.429 169 P HA 0.040 nan 4.420 nan 0.000 0.276 169 P C -0.666 176.687 177.300 0.088 0.000 1.230 169 P CA -0.453 62.696 63.100 0.082 0.000 0.776 169 P CB 0.612 32.371 31.700 0.098 0.000 0.888 170 C N 3.585 122.936 119.300 0.086 0.000 2.861 170 C HA 0.372 4.833 4.460 0.001 0.000 0.542 170 C C 0.496 175.541 174.990 0.092 0.000 1.074 170 C CA -0.097 58.974 59.018 0.087 0.000 1.232 170 C CB -1.974 25.826 27.740 0.100 0.000 1.433 170 C HN 0.642 nan 8.230 nan 0.000 0.606 171 C N 2.713 122.078 119.300 0.108 0.000 3.097 171 C HA 0.556 5.017 4.460 0.001 0.000 0.422 171 C C -1.764 173.338 174.990 0.188 0.000 0.999 171 C CA -0.256 58.853 59.018 0.152 0.000 1.235 171 C CB 0.152 28.038 27.740 0.244 0.000 1.615 171 C HN 0.702 nan 8.230 nan 0.000 0.553 172 D N 2.853 123.277 120.400 0.041 0.000 2.583 172 D HA 0.345 4.986 4.640 0.001 0.000 0.248 172 D C -1.214 174.850 176.300 -0.394 0.000 1.209 172 D CA -0.205 53.782 54.000 -0.021 0.000 0.848 172 D CB 1.797 42.598 40.800 0.001 0.000 1.431 172 D HN 0.777 nan 8.370 nan 0.000 0.436 173 W N 3.460 124.209 121.300 -0.919 0.000 2.322 173 W HA 0.112 4.772 4.660 0.000 0.000 0.328 173 W C 0.084 176.246 176.519 -0.595 0.000 1.395 173 W CA -0.263 56.419 57.345 -1.104 0.000 1.267 173 W CB 0.810 29.409 29.460 -1.436 0.000 1.259 173 W HN 0.154 nan 8.180 nan 0.000 0.560 174 V N 6.381 125.646 119.914 -1.082 0.000 2.379 174 V HA 0.201 4.322 4.120 0.001 0.000 0.243 174 V C 1.224 176.884 176.094 -0.724 0.000 1.035 174 V CA 1.901 63.739 62.300 -0.771 0.000 1.035 174 V CB -0.672 30.722 31.823 -0.714 0.000 0.673 174 V HN 0.830 nan 8.190 nan 0.000 0.457 175 G N -0.846 107.319 108.800 -1.058 0.000 2.333 175 G HA2 0.200 4.161 3.960 0.001 0.000 0.288 175 G HA3 0.200 4.161 3.960 0.001 0.000 0.288 175 G C -2.053 172.558 174.900 -0.482 0.000 1.286 175 G CA -0.326 44.462 45.100 -0.520 0.000 0.865 175 G HN 0.071 nan 8.290 nan 0.000 0.506 176 D N 0.245 120.473 120.400 -0.286 0.000 2.339 176 D HA 0.481 5.122 4.640 0.001 0.000 0.245 176 D C 1.179 177.272 176.300 -0.344 0.000 1.115 176 D CA 0.860 54.782 54.000 -0.130 0.000 0.917 176 D CB 0.786 41.627 40.800 0.068 0.000 1.192 176 D HN 0.680 nan 8.370 nan 0.000 0.428 177 E N 0.837 120.980 120.200 -0.095 0.000 3.360 177 E HA -0.298 4.053 4.350 0.001 0.000 0.397 177 E C 1.225 177.705 176.600 -0.199 0.000 1.549 177 E CA 1.630 58.004 56.400 -0.043 0.000 1.539 177 E CB -1.257 28.505 29.700 0.103 0.000 1.621 177 E HN 0.582 nan 8.360 nan 0.000 0.465 178 G N -0.176 108.545 108.800 -0.132 0.000 2.848 178 G HA2 0.163 4.124 3.960 0.001 0.000 0.208 178 G HA3 0.163 4.124 3.960 0.001 0.000 0.208 178 G C 1.225 175.823 174.900 -0.503 0.000 1.152 178 G CA 0.962 46.005 45.100 -0.095 0.000 0.789 178 G HN 0.565 nan 8.290 nan 0.000 0.531 179 A N 1.045 123.116 122.820 -1.249 0.000 1.917 179 A HA 0.037 4.357 4.320 0.001 0.000 0.219 179 A C 2.656 179.849 177.584 -0.653 0.000 1.182 179 A CA 2.153 53.305 52.037 -1.476 0.000 0.633 179 A CB -0.928 17.139 19.000 -1.555 0.000 0.819 179 A HN 0.474 nan 8.150 nan 0.000 0.448 180 G N -1.373 107.049 108.800 -0.630 0.000 2.421 180 G HA2 -0.255 3.706 3.960 0.001 0.000 0.216 180 G HA3 -0.255 3.706 3.960 0.001 0.000 0.216 180 G C 1.417 176.183 174.900 -0.222 0.000 1.171 180 G CA 1.227 46.032 45.100 -0.493 0.000 0.775 180 G HN 0.785 nan 8.290 nan 0.000 0.543 181 H N -1.704 117.296 119.070 -0.117 0.000 2.462 181 H HA 0.071 4.628 4.556 0.001 0.000 0.292 181 H C 2.085 177.464 175.328 0.084 0.000 1.049 181 H CA 0.583 56.639 56.048 0.013 0.000 1.334 181 H CB 0.022 29.824 29.762 0.066 0.000 1.404 181 H HN 0.370 nan 8.280 nan 0.000 0.544 182 F N 0.573 120.553 119.950 0.051 0.000 2.113 182 F HA -0.191 4.338 4.527 0.002 0.000 0.297 182 F C 2.169 177.993 175.800 0.041 0.000 1.103 182 F CA 0.868 58.880 58.000 0.019 0.000 1.248 182 F CB -0.493 38.489 39.000 -0.030 0.000 0.999 182 F HN -0.130 nan 8.300 nan 0.000 0.475 183 V N 0.720 120.790 119.914 0.259 0.000 2.324 183 V HA -0.356 3.765 4.120 0.001 0.000 0.250 183 V C 2.398 178.620 176.094 0.213 0.000 1.060 183 V CA 2.341 64.769 62.300 0.213 0.000 1.042 183 V CB -0.782 31.086 31.823 0.075 0.000 0.650 183 V HN 0.275 nan 8.190 nan 0.000 0.450 184 K N 0.103 120.585 120.400 0.137 0.000 2.097 184 K HA -0.153 4.168 4.320 0.001 0.000 0.206 184 K C 2.124 178.757 176.600 0.056 0.000 1.049 184 K CA 1.818 58.161 56.287 0.092 0.000 0.933 184 K CB -0.467 32.078 32.500 0.076 0.000 0.717 184 K HN 0.400 nan 8.250 nan 0.000 0.442 185 M N -0.141 119.470 119.600 0.018 0.000 2.065 185 M HA -0.194 4.286 4.480 0.001 0.000 0.259 185 M C 1.761 177.975 176.300 -0.143 0.000 1.069 185 M CA 1.856 57.119 55.300 -0.062 0.000 1.110 185 M CB -0.125 32.397 32.600 -0.129 0.000 1.328 185 M HN 0.075 nan 8.290 nan 0.000 0.405 186 V N 0.115 119.925 119.914 -0.173 0.000 2.332 186 V HA -0.325 3.796 4.120 0.001 0.000 0.248 186 V C 2.583 178.588 176.094 -0.148 0.000 1.055 186 V CA 2.249 64.463 62.300 -0.144 0.000 1.038 186 V CB -1.326 30.473 31.823 -0.040 0.000 0.651 186 V HN 0.624 nan 8.190 nan 0.000 0.450 187 H N 1.021 119.966 119.070 -0.208 0.000 2.319 187 H HA -0.201 4.356 4.556 0.001 0.000 0.297 187 H C 2.100 177.198 175.328 -0.382 0.000 1.097 187 H CA 2.441 58.199 56.048 -0.484 0.000 1.285 187 H CB -0.171 29.339 29.762 -0.421 0.000 1.368 187 H HN 0.409 nan 8.280 nan 0.000 0.495 188 N N 0.087 118.781 118.700 -0.010 0.000 2.331 188 N HA -0.050 4.691 4.740 0.001 0.000 0.180 188 N C 2.169 177.560 175.510 -0.197 0.000 1.019 188 N CA 0.974 53.997 53.050 -0.045 0.000 0.881 188 N CB -0.737 37.736 38.487 -0.024 0.000 0.972 188 N HN 0.506 nan 8.380 nan 0.000 0.435 189 G N 1.122 109.752 108.800 -0.283 0.000 2.433 189 G HA2 -0.183 3.778 3.960 0.001 0.000 0.216 189 G HA3 -0.183 3.778 3.960 0.001 0.000 0.216 189 G C 1.531 176.291 174.900 -0.233 0.000 1.186 189 G CA 0.516 45.434 45.100 -0.303 0.000 0.779 189 G HN 0.264 nan 8.290 nan 0.000 0.543 190 I N 0.632 121.010 120.570 -0.321 0.000 2.208 190 I HA -0.188 3.983 4.170 0.001 0.000 0.245 190 I C 2.682 178.599 176.117 -0.333 0.000 1.097 190 I CA 1.603 62.658 61.300 -0.409 0.000 1.363 190 I CB -0.262 37.312 38.000 -0.710 0.000 1.051 190 I HN 0.347 nan 8.210 nan 0.000 0.413 191 E N 0.771 120.770 120.200 -0.335 0.000 2.038 191 E HA -0.279 4.072 4.350 0.001 0.000 0.195 191 E C 2.356 178.936 176.600 -0.034 0.000 1.000 191 E CA 1.715 57.995 56.400 -0.200 0.000 0.803 191 E CB -0.224 29.359 29.700 -0.195 0.000 0.750 191 E HN 0.398 nan 8.360 nan 0.000 0.448 192 Y N 0.428 120.616 120.300 -0.187 0.000 2.151 192 Y HA -0.184 4.367 4.550 0.002 0.000 0.284 192 Y C 2.451 178.273 175.900 -0.129 0.000 1.166 192 Y CA 1.655 59.667 58.100 -0.147 0.000 1.163 192 Y CB -1.008 37.360 38.460 -0.153 0.000 0.974 192 Y HN 0.229 nan 8.280 nan 0.000 0.511 193 G N -0.851 107.967 108.800 0.030 0.000 2.404 193 G HA2 -0.235 3.726 3.960 0.001 0.000 0.215 193 G HA3 -0.235 3.726 3.960 0.001 0.000 0.215 193 G C 1.558 176.433 174.900 -0.043 0.000 1.174 193 G CA 1.028 46.113 45.100 -0.025 0.000 0.780 193 G HN 0.302 nan 8.290 nan 0.000 0.537 194 D N 0.344 120.719 120.400 -0.043 0.000 2.104 194 D HA -0.096 4.544 4.640 0.001 0.000 0.194 194 D C 2.650 178.934 176.300 -0.027 0.000 0.994 194 D CA 1.019 55.014 54.000 -0.009 0.000 0.830 194 D CB -0.087 40.721 40.800 0.014 0.000 0.959 194 D HN 0.288 nan 8.370 nan 0.000 0.452 195 M N 0.051 119.615 119.600 -0.060 0.000 2.117 195 M HA -0.213 4.268 4.480 0.001 0.000 0.262 195 M C 2.256 178.508 176.300 -0.079 0.000 1.065 195 M CA 1.267 56.514 55.300 -0.088 0.000 1.114 195 M CB -0.127 32.386 32.600 -0.144 0.000 1.361 195 M HN -0.115 nan 8.290 nan 0.000 0.408 196 Q N 0.977 120.731 119.800 -0.078 0.000 2.079 196 Q HA -0.073 4.268 4.340 0.001 0.000 0.200 196 Q C 1.751 177.698 176.000 -0.087 0.000 0.974 196 Q CA 1.714 57.478 55.803 -0.064 0.000 0.840 196 Q CB -0.470 28.239 28.738 -0.048 0.000 0.898 196 Q HN 0.536 nan 8.270 nan 0.000 0.430 197 L N -0.330 120.803 121.223 -0.151 0.000 2.042 197 L HA -0.178 4.162 4.340 0.001 0.000 0.210 197 L C 2.395 179.200 176.870 -0.109 0.000 1.076 197 L CA 1.147 55.791 54.840 -0.328 0.000 0.749 197 L CB -0.485 41.379 42.059 -0.326 0.000 0.893 197 L HN 0.262 nan 8.230 nan 0.000 0.432 198 I N -0.903 119.687 120.570 0.033 0.000 2.208 198 I HA -0.366 3.804 4.170 0.001 0.000 0.245 198 I C 2.603 178.860 176.117 0.232 0.000 1.097 198 I CA 1.224 62.633 61.300 0.181 0.000 1.363 198 I CB -0.339 37.697 38.000 0.060 0.000 1.051 198 I HN 0.412 nan 8.210 nan 0.000 0.413 199 C N 0.611 119.984 119.300 0.121 0.000 2.425 199 C HA -0.149 4.312 4.460 0.001 0.000 0.277 199 C C 2.595 177.778 174.990 0.321 0.000 1.280 199 C CA 0.880 60.014 59.018 0.194 0.000 1.744 199 C CB -1.132 26.661 27.740 0.089 0.000 1.989 199 C HN 0.510 nan 8.230 nan 0.000 0.491 200 E N 1.042 121.389 120.200 0.246 0.000 2.107 200 E HA -0.088 4.262 4.350 0.001 0.000 0.191 200 E C 2.386 179.294 176.600 0.514 0.000 0.982 200 E CA 1.156 57.765 56.400 0.349 0.000 0.809 200 E CB -0.263 29.574 29.700 0.228 0.000 0.756 200 E HN 0.656 nan 8.360 nan 0.000 0.459 201 A N 1.156 124.322 122.820 0.577 0.000 1.883 201 A HA -0.243 4.078 4.320 0.001 0.000 0.217 201 A C 2.109 179.977 177.584 0.474 0.000 1.186 201 A CA 1.621 53.996 52.037 0.564 0.000 0.624 201 A CB -0.889 18.494 19.000 0.639 0.000 0.822 201 A HN 0.441 nan 8.150 nan 0.000 0.444 202 Y N -0.232 120.314 120.300 0.410 0.000 2.165 202 Y HA -0.283 4.268 4.550 0.001 0.000 0.286 202 Y C 2.265 178.327 175.900 0.270 0.000 1.155 202 Y CA 2.269 60.568 58.100 0.331 0.000 1.164 202 Y CB -0.857 37.761 38.460 0.262 0.000 0.978 202 Y HN 0.604 nan 8.280 nan 0.000 0.513 203 H N -0.552 118.528 119.070 0.016 0.000 2.353 203 H HA -0.148 4.409 4.556 0.001 0.000 0.300 203 H C 2.148 177.441 175.328 -0.057 0.000 1.090 203 H CA 1.481 57.465 56.048 -0.106 0.000 1.327 203 H CB -0.094 29.698 29.762 0.050 0.000 1.383 203 H HN 0.388 nan 8.280 nan 0.000 0.508 204 L N -0.065 121.254 121.223 0.161 0.000 2.046 204 L HA -0.232 4.109 4.340 0.001 0.000 0.208 204 L C 2.705 179.623 176.870 0.081 0.000 1.077 204 L CA 1.166 56.069 54.840 0.105 0.000 0.747 204 L CB -0.273 41.875 42.059 0.149 0.000 0.896 204 L HN 0.411 nan 8.230 nan 0.000 0.432 205 M N -0.623 119.017 119.600 0.067 0.000 2.117 205 M HA -0.257 4.224 4.480 0.001 0.000 0.262 205 M C 2.391 178.668 176.300 -0.039 0.000 1.065 205 M CA 1.790 57.100 55.300 0.017 0.000 1.114 205 M CB -0.283 32.325 32.600 0.012 0.000 1.361 205 M HN 0.113 nan 8.290 nan 0.000 0.408 206 K N -0.002 120.325 120.400 -0.123 0.000 2.031 206 K HA -0.149 4.172 4.320 0.001 0.000 0.205 206 K C 0.935 177.513 176.600 -0.037 0.000 1.049 206 K CA 1.580 57.781 56.287 -0.144 0.000 0.939 206 K CB 0.215 32.502 32.500 -0.354 0.000 0.717 206 K HN 0.166 nan 8.250 nan 0.000 0.438 207 D N -0.870 119.537 120.400 0.012 0.000 2.388 207 D HA 0.017 4.658 4.640 0.001 0.000 0.208 207 D C 1.513 177.829 176.300 0.026 0.000 1.035 207 D CA 0.310 54.334 54.000 0.040 0.000 0.875 207 D CB 0.776 41.629 40.800 0.088 0.000 0.984 207 D HN -0.018 nan 8.370 nan 0.000 0.508 208 V N 0.279 120.192 119.914 -0.002 0.000 2.581 208 V HA 0.066 4.187 4.120 0.001 0.000 0.240 208 V C 2.054 178.065 176.094 -0.138 0.000 1.054 208 V CA 0.704 62.989 62.300 -0.026 0.000 1.076 208 V CB 0.144 31.924 31.823 -0.071 0.000 0.748 208 V HN 0.127 nan 8.190 nan 0.000 0.474 209 L N 0.521 121.666 121.223 -0.130 0.000 2.567 209 L HA 0.311 4.652 4.340 0.001 0.000 0.225 209 L C 1.662 178.515 176.870 -0.029 0.000 1.119 209 L CA 0.802 55.556 54.840 -0.143 0.000 0.871 209 L CB -0.456 41.560 42.059 -0.071 0.000 1.036 209 L HN 0.568 nan 8.230 nan 0.000 0.459 210 G N 1.215 110.010 108.800 -0.008 0.000 2.283 210 G HA2 -0.324 3.637 3.960 0.001 0.000 0.280 210 G HA3 -0.324 3.637 3.960 0.001 0.000 0.280 210 G C 0.257 175.162 174.900 0.009 0.000 1.029 210 G CA 0.191 45.298 45.100 0.012 0.000 0.840 210 G HN 0.283 nan 8.290 nan 0.000 0.505 211 M N 0.216 119.813 119.600 -0.004 0.000 2.242 211 M HA 0.526 5.007 4.480 0.001 0.000 0.344 211 M C 0.997 177.300 176.300 0.005 0.000 1.140 211 M CA 0.252 55.551 55.300 -0.002 0.000 1.160 211 M CB 0.961 33.552 32.600 -0.015 0.000 1.491 211 M HN 0.425 nan 8.290 nan 0.000 0.459 212 A N 1.771 124.598 122.820 0.013 0.000 2.332 212 A HA 0.182 4.503 4.320 0.001 0.000 0.258 212 A C 0.980 178.570 177.584 0.009 0.000 1.087 212 A CA -0.565 51.486 52.037 0.023 0.000 0.802 212 A CB 0.530 19.551 19.000 0.035 0.000 1.042 212 A HN 0.908 nan 8.150 nan 0.000 0.489 213 Q N 0.378 120.170 119.800 -0.014 0.000 2.062 213 Q HA -0.199 4.142 4.340 0.001 0.000 0.209 213 Q C 1.065 176.992 176.000 -0.122 0.000 0.996 213 Q CA 2.260 57.992 55.803 -0.119 0.000 0.859 213 Q CB -0.335 28.135 28.738 -0.446 0.000 0.920 213 Q HN 0.820 nan 8.270 nan 0.000 0.415 214 D N 0.227 120.581 120.400 -0.076 0.000 2.178 214 D HA -0.118 4.522 4.640 0.001 0.000 0.202 214 D C 1.796 178.087 176.300 -0.015 0.000 0.974 214 D CA 0.667 54.657 54.000 -0.017 0.000 0.841 214 D CB -0.073 40.768 40.800 0.067 0.000 0.953 214 D HN 0.391 nan 8.370 nan 0.000 0.478 215 E N -0.068 120.124 120.200 -0.014 0.000 2.077 215 E HA -0.130 4.220 4.350 0.001 0.000 0.193 215 E C 2.059 178.618 176.600 -0.068 0.000 0.989 215 E CA 0.700 57.081 56.400 -0.032 0.000 0.800 215 E CB 0.070 29.759 29.700 -0.019 0.000 0.746 215 E HN 0.201 nan 8.360 nan 0.000 0.452 216 M N 0.021 119.599 119.600 -0.037 0.000 2.132 216 M HA -0.101 4.380 4.480 0.001 0.000 0.263 216 M C 2.450 178.759 176.300 0.015 0.000 1.065 216 M CA 1.212 56.494 55.300 -0.030 0.000 1.122 216 M CB -0.140 32.535 32.600 0.126 0.000 1.365 216 M HN 0.184 nan 8.290 nan 0.000 0.411 217 A N 0.042 122.879 122.820 0.029 0.000 1.892 217 A HA -0.242 4.078 4.320 0.001 0.000 0.218 217 A C 2.018 179.593 177.584 -0.016 0.000 1.188 217 A CA 2.217 54.270 52.037 0.026 0.000 0.631 217 A CB -1.052 17.939 19.000 -0.016 0.000 0.822 217 A HN 0.468 nan 8.150 nan 0.000 0.447 218 Q N -1.425 118.337 119.800 -0.063 0.000 2.084 218 Q HA -0.049 4.292 4.340 0.001 0.000 0.202 218 Q C 2.663 178.540 176.000 -0.205 0.000 0.978 218 Q CA 1.547 57.294 55.803 -0.093 0.000 0.844 218 Q CB -0.981 27.714 28.738 -0.071 0.000 0.898 218 Q HN 0.914 nan 8.270 nan 0.000 0.426 219 A N -0.329 122.273 122.820 -0.365 0.000 1.883 219 A HA -0.145 4.176 4.320 0.001 0.000 0.217 219 A C 1.880 178.783 177.584 -1.135 0.000 1.186 219 A CA 1.807 53.363 52.037 -0.802 0.000 0.624 219 A CB -0.786 17.598 19.000 -1.026 0.000 0.822 219 A HN 0.537 nan 8.150 nan 0.000 0.444 220 F N -0.081 119.438 119.950 -0.719 0.000 2.134 220 F HA -0.137 4.391 4.527 0.001 0.000 0.299 220 F C 2.372 178.081 175.800 -0.151 0.000 1.097 220 F CA 1.721 59.487 58.000 -0.390 0.000 1.264 220 F CB -0.447 38.426 39.000 -0.211 0.000 1.001 220 F HN 0.401 nan 8.300 nan 0.000 0.479 221 E N 0.257 120.474 120.200 0.029 0.000 2.085 221 E HA -0.245 4.106 4.350 0.001 0.000 0.194 221 E C 1.620 178.240 176.600 0.033 0.000 0.994 221 E CA 1.743 58.160 56.400 0.028 0.000 0.801 221 E CB -0.070 29.630 29.700 -0.001 0.000 0.743 221 E HN 0.333 nan 8.360 nan 0.000 0.453 222 D N -0.365 120.024 120.400 -0.019 0.000 2.123 222 D HA -0.147 4.494 4.640 0.001 0.000 0.200 222 D C 1.584 178.005 176.300 0.202 0.000 0.976 222 D CA 0.639 54.670 54.000 0.052 0.000 0.831 222 D CB -0.505 40.306 40.800 0.019 0.000 0.974 222 D HN 0.372 nan 8.370 nan 0.000 0.469 223 W N 1.567 122.855 121.300 -0.020 0.000 2.350 223 W HA -0.094 4.567 4.660 0.001 0.000 0.289 223 W C 2.005 178.526 176.519 0.004 0.000 1.215 223 W CA 0.473 57.801 57.345 -0.027 0.000 1.236 223 W CB -1.463 27.972 29.460 -0.041 0.000 1.130 223 W HN 0.063 nan 8.180 nan 0.000 0.541 224 N N 0.411 119.268 118.700 0.261 0.000 2.573 224 N HA -0.128 4.613 4.740 0.001 0.000 0.187 224 N C 1.321 176.890 175.510 0.098 0.000 1.107 224 N CA 1.056 54.200 53.050 0.158 0.000 0.918 224 N CB -0.156 38.404 38.487 0.120 0.000 0.966 224 N HN 0.100 nan 8.380 nan 0.000 0.448 225 K N -1.165 119.291 120.400 0.094 0.000 2.356 225 K HA 0.063 4.384 4.320 0.001 0.000 0.195 225 K C 1.032 177.654 176.600 0.036 0.000 1.037 225 K CA 0.671 56.992 56.287 0.058 0.000 1.014 225 K CB 0.413 32.946 32.500 0.054 0.000 0.815 225 K HN 0.308 nan 8.250 nan 0.000 0.507 226 T N -1.606 112.963 114.554 0.024 0.000 3.030 226 T HA 0.133 4.484 4.350 0.001 0.000 0.274 226 T C 1.164 175.820 174.700 -0.074 0.000 1.187 226 T CA -0.433 61.645 62.100 -0.037 0.000 0.949 226 T CB 0.167 68.984 68.868 -0.084 0.000 2.268 226 T HN -0.177 nan 8.240 nan 0.000 0.554 227 E N 0.566 120.638 120.200 -0.212 0.000 2.204 227 E HA 0.095 4.446 4.350 0.001 0.000 0.195 227 E C 1.766 178.272 176.600 -0.156 0.000 0.990 227 E CA 0.656 56.873 56.400 -0.306 0.000 0.821 227 E CB -0.586 28.523 29.700 -0.985 0.000 0.750 227 E HN 0.457 nan 8.360 nan 0.000 0.477 228 L N 1.066 122.214 121.223 -0.125 0.000 2.599 228 L HA 0.021 4.362 4.340 0.001 0.000 0.230 228 L C 0.515 177.430 176.870 0.076 0.000 1.141 228 L CA -0.303 54.565 54.840 0.046 0.000 0.877 228 L CB -0.184 41.918 42.059 0.071 0.000 1.009 228 L HN 0.060 nan 8.230 nan 0.000 0.447 229 D N 1.720 122.146 120.400 0.044 0.000 2.536 229 D HA 0.002 4.643 4.640 0.001 0.000 0.260 229 D C -0.061 176.255 176.300 0.027 0.000 1.270 229 D CA 0.614 54.642 54.000 0.047 0.000 0.934 229 D CB 0.351 41.173 40.800 0.036 0.000 1.129 229 D HN 0.270 nan 8.370 nan 0.000 0.533 230 S N 2.606 118.340 115.700 0.057 0.000 2.578 230 S HA 0.188 4.659 4.470 0.001 0.000 0.272 230 S C 0.404 175.068 174.600 0.107 0.000 1.145 230 S CA -0.934 57.309 58.200 0.071 0.000 0.835 230 S CB 0.181 63.414 63.200 0.054 0.000 1.104 230 S HN 0.222 nan 8.310 nan 0.000 0.458 231 F N 1.584 121.539 119.950 0.008 0.000 2.091 231 F HA -0.015 4.513 4.527 0.002 0.000 0.299 231 F C 1.716 177.508 175.800 -0.013 0.000 1.103 231 F CA 1.948 59.950 58.000 0.003 0.000 1.228 231 F CB -0.466 38.535 39.000 0.003 0.000 0.984 231 F HN 0.619 nan 8.300 nan 0.000 0.477 232 L N -0.282 120.914 121.223 -0.046 0.000 2.046 232 L HA -0.248 4.093 4.340 0.001 0.000 0.208 232 L C 2.499 179.247 176.870 -0.203 0.000 1.077 232 L CA 0.664 55.403 54.840 -0.168 0.000 0.747 232 L CB -0.684 41.370 42.059 -0.009 0.000 0.896 232 L HN 0.188 nan 8.230 nan 0.000 0.432 233 I N 0.003 120.535 120.570 -0.062 0.000 2.179 233 I HA -0.291 3.880 4.170 0.001 0.000 0.242 233 I C 2.522 178.588 176.117 -0.085 0.000 1.088 233 I CA 1.482 62.790 61.300 0.014 0.000 1.357 233 I CB -0.954 37.168 38.000 0.204 0.000 1.051 233 I HN 0.436 nan 8.210 nan 0.000 0.409 234 E N 1.564 121.694 120.200 -0.115 0.000 2.048 234 E HA -0.263 4.087 4.350 0.001 0.000 0.202 234 E C 2.289 178.741 176.600 -0.248 0.000 1.021 234 E CA 2.369 58.680 56.400 -0.149 0.000 0.825 234 E CB -0.212 29.398 29.700 -0.151 0.000 0.756 234 E HN 0.620 nan 8.360 nan 0.000 0.454 235 I N -1.414 118.897 120.570 -0.432 0.000 2.676 235 I HA -0.106 4.064 4.170 0.001 0.000 0.259 235 I C 2.034 177.948 176.117 -0.338 0.000 1.194 235 I CA 1.291 62.345 61.300 -0.411 0.000 1.473 235 I CB -0.345 37.304 38.000 -0.584 0.000 1.096 235 I HN -0.039 nan 8.210 nan 0.000 0.443 236 T N 1.632 115.951 114.554 -0.392 0.000 2.777 236 T HA -0.034 4.317 4.350 0.001 0.000 0.266 236 T C 2.203 176.647 174.700 -0.426 0.000 1.040 236 T CA 1.609 63.408 62.100 -0.502 0.000 1.141 236 T CB -0.331 68.061 68.868 -0.794 0.000 0.868 236 T HN 0.593 nan 8.240 nan 0.000 0.444 237 A N 2.763 125.409 122.820 -0.291 0.000 1.883 237 A HA -0.207 4.114 4.320 0.001 0.000 0.217 237 A C 2.239 179.764 177.584 -0.098 0.000 1.186 237 A CA 1.752 53.718 52.037 -0.118 0.000 0.624 237 A CB -0.687 18.298 19.000 -0.025 0.000 0.822 237 A HN 0.427 nan 8.150 nan 0.000 0.444 238 N N 0.222 118.858 118.700 -0.105 0.000 2.120 238 N HA -0.098 4.643 4.740 0.001 0.000 0.188 238 N C 1.665 177.165 175.510 -0.016 0.000 1.024 238 N CA 1.580 54.604 53.050 -0.042 0.000 0.852 238 N CB -0.558 37.902 38.487 -0.045 0.000 1.003 238 N HN 0.582 nan 8.380 nan 0.000 0.424 239 I N 1.106 121.610 120.570 -0.111 0.000 2.163 239 I HA -0.247 3.923 4.170 0.001 0.000 0.243 239 I C 2.070 178.144 176.117 -0.072 0.000 1.085 239 I CA 0.940 62.169 61.300 -0.118 0.000 1.347 239 I CB -0.286 37.575 38.000 -0.230 0.000 1.044 239 I HN 0.055 nan 8.210 nan 0.000 0.408 240 L N 0.344 121.482 121.223 -0.141 0.000 2.079 240 L HA -0.230 4.111 4.340 0.001 0.000 0.210 240 L C 2.454 179.260 176.870 -0.107 0.000 1.081 240 L CA 1.511 56.264 54.840 -0.145 0.000 0.752 240 L CB -0.485 41.496 42.059 -0.130 0.000 0.896 240 L HN 0.195 nan 8.230 nan 0.000 0.433 241 K N -0.607 119.793 120.400 -0.001 0.000 2.217 241 K HA -0.085 4.236 4.320 0.001 0.000 0.202 241 K C 0.632 177.353 176.600 0.200 0.000 1.051 241 K CA 0.187 56.523 56.287 0.081 0.000 0.952 241 K CB -0.024 32.513 32.500 0.063 0.000 0.736 241 K HN -0.027 nan 8.250 nan 0.000 0.453 242 F N 2.815 122.799 119.950 0.056 0.000 2.578 242 F HA -0.072 4.456 4.527 0.002 0.000 0.376 242 F C 0.018 175.888 175.800 0.116 0.000 1.085 242 F CA 0.425 58.459 58.000 0.057 0.000 1.260 242 F CB 0.392 39.392 39.000 0.001 0.000 1.095 242 F HN -0.020 nan 8.300 nan 0.000 0.573 243 Q N 4.494 123.952 119.800 -0.570 0.000 2.312 243 Q HA 0.195 4.536 4.340 0.001 0.000 0.263 243 Q C -0.890 174.854 176.000 -0.427 0.000 0.995 243 Q CA -1.102 54.491 55.803 -0.349 0.000 0.853 243 Q CB 1.824 30.374 28.738 -0.312 0.000 1.300 243 Q HN 0.606 nan 8.270 nan 0.000 0.448 244 D N 0.336 120.676 120.400 -0.101 0.000 2.371 244 D HA -0.020 4.621 4.640 0.001 0.000 0.242 244 D C 1.123 177.383 176.300 -0.067 0.000 1.218 244 D CA 0.189 54.191 54.000 0.003 0.000 0.945 244 D CB 1.211 42.049 40.800 0.063 0.000 1.137 244 D HN 0.670 nan 8.370 nan 0.000 0.464 245 T N -1.632 112.911 114.554 -0.018 0.000 2.946 245 T HA -0.220 4.131 4.350 0.001 0.000 0.271 245 T C 0.889 175.565 174.700 -0.041 0.000 1.104 245 T CA 1.394 63.475 62.100 -0.032 0.000 1.114 245 T CB -0.177 68.689 68.868 -0.003 0.000 0.867 245 T HN 0.475 nan 8.240 nan 0.000 0.513 246 D N 0.217 120.595 120.400 -0.037 0.000 2.340 246 D HA 0.261 4.902 4.640 0.001 0.000 0.217 246 D C 1.662 177.925 176.300 -0.062 0.000 1.081 246 D CA 0.430 54.407 54.000 -0.039 0.000 0.842 246 D CB -0.571 40.216 40.800 -0.022 0.000 0.934 246 D HN 0.555 nan 8.370 nan 0.000 0.511 247 G N 0.330 109.074 108.800 -0.093 0.000 2.253 247 G HA2 -0.326 3.635 3.960 0.001 0.000 0.251 247 G HA3 -0.326 3.635 3.960 0.001 0.000 0.251 247 G C 0.306 175.101 174.900 -0.174 0.000 0.998 247 G CA 0.303 45.325 45.100 -0.130 0.000 0.621 247 G HN 0.483 nan 8.290 nan 0.000 0.524 248 K N 0.662 120.986 120.400 -0.126 0.000 2.202 248 K HA 0.452 4.773 4.320 0.001 0.000 0.264 248 K C 0.265 176.797 176.600 -0.113 0.000 1.010 248 K CA -0.606 55.604 56.287 -0.129 0.000 0.940 248 K CB 0.419 32.896 32.500 -0.038 0.000 0.983 248 K HN 0.513 nan 8.250 nan 0.000 0.475 249 H N 1.110 120.186 119.070 0.010 0.000 2.897 249 H HA -0.079 4.478 4.556 0.001 0.000 0.347 249 H C 0.950 176.318 175.328 0.067 0.000 1.068 249 H CA -0.382 55.687 56.048 0.034 0.000 1.426 249 H CB 0.696 30.482 29.762 0.040 0.000 1.410 249 H HN 0.401 nan 8.280 nan 0.000 0.597 250 L N 3.565 124.948 121.223 0.268 0.000 2.095 250 L HA -0.061 4.280 4.340 0.001 0.000 0.204 250 L C 1.853 178.794 176.870 0.117 0.000 1.080 250 L CA 1.128 56.093 54.840 0.209 0.000 0.759 250 L CB -0.609 41.651 42.059 0.335 0.000 0.914 250 L HN 0.631 nan 8.230 nan 0.000 0.439 251 L N 0.838 122.118 121.223 0.094 0.000 2.043 251 L HA -0.086 4.255 4.340 0.001 0.000 0.212 251 L C -0.603 176.281 176.870 0.024 0.000 1.075 251 L CA 2.062 56.907 54.840 0.008 0.000 0.752 251 L CB -1.980 40.043 42.059 -0.061 0.000 0.891 251 L HN 0.208 nan 8.230 nan 0.000 0.432 252 P HA -0.126 nan 4.420 nan 0.000 0.225 252 P C 1.044 178.372 177.300 0.047 0.000 1.148 252 P CA 1.388 64.527 63.100 0.064 0.000 0.779 252 P CB -0.050 31.703 31.700 0.089 0.000 0.780 253 K N -1.121 119.307 120.400 0.046 0.000 2.400 253 K HA 0.110 4.431 4.320 0.001 0.000 0.194 253 K C 0.705 177.314 176.600 0.015 0.000 1.033 253 K CA 0.087 56.393 56.287 0.032 0.000 1.021 253 K CB -0.012 32.512 32.500 0.039 0.000 0.808 253 K HN 0.202 nan 8.250 nan 0.000 0.505 254 I N 2.016 122.588 120.570 0.004 0.000 2.441 254 I HA 0.031 4.202 4.170 0.001 0.000 0.287 254 I C 0.544 176.652 176.117 -0.016 0.000 1.049 254 I CA -0.497 60.794 61.300 -0.015 0.000 1.381 254 I CB 0.728 38.705 38.000 -0.038 0.000 1.409 254 I HN 0.034 nan 8.210 nan 0.000 0.523 255 R N 5.618 126.107 120.500 -0.018 0.000 2.522 255 R HA -0.019 4.322 4.340 0.001 0.000 0.284 255 R C -0.192 176.093 176.300 -0.025 0.000 1.032 255 R CA -0.260 55.830 56.100 -0.017 0.000 1.049 255 R CB 0.355 30.646 30.300 -0.016 0.000 0.956 255 R HN 0.592 nan 8.270 nan 0.000 0.422 256 D N 2.517 122.905 120.400 -0.019 0.000 3.134 256 D HA -0.001 4.640 4.640 0.001 0.000 0.248 256 D C -0.764 175.524 176.300 -0.021 0.000 1.273 256 D CA -0.113 53.873 54.000 -0.023 0.000 0.904 256 D CB 0.584 41.374 40.800 -0.016 0.000 1.089 256 D HN 0.203 nan 8.370 nan 0.000 0.478 257 S N -0.049 115.635 115.700 -0.027 0.000 2.733 257 S HA 0.582 5.053 4.470 0.001 0.000 0.307 257 S C -0.436 174.141 174.600 -0.039 0.000 1.127 257 S CA -0.686 57.499 58.200 -0.024 0.000 1.097 257 S CB 0.582 63.772 63.200 -0.017 0.000 1.003 257 S HN 0.417 nan 8.310 nan 0.000 0.477 258 A N 3.936 126.728 122.820 -0.046 0.000 2.366 258 A HA 0.707 5.028 4.320 0.001 0.000 0.272 258 A C 0.836 178.378 177.584 -0.069 0.000 1.135 258 A CA -0.094 51.898 52.037 -0.074 0.000 0.804 258 A CB 0.115 19.056 19.000 -0.098 0.000 1.064 258 A HN 0.996 nan 8.150 nan 0.000 0.499 259 G N 0.818 109.568 108.800 -0.084 0.000 2.528 259 G HA2 0.573 4.534 3.960 0.001 0.000 0.289 259 G HA3 0.573 4.534 3.960 0.001 0.000 0.289 259 G C -0.449 174.397 174.900 -0.090 0.000 1.192 259 G CA -0.336 44.721 45.100 -0.071 0.000 0.921 259 G HN 1.102 nan 8.290 nan 0.000 0.512 260 Q N -1.293 118.472 119.800 -0.060 0.000 2.472 260 Q HA 0.467 4.808 4.340 0.001 0.000 0.281 260 Q C -1.187 174.777 176.000 -0.059 0.000 0.997 260 Q CA -0.979 54.803 55.803 -0.036 0.000 0.828 260 Q CB 1.898 30.661 28.738 0.041 0.000 1.443 260 Q HN 0.423 nan 8.270 nan 0.000 0.390 261 K N 0.103 120.450 120.400 -0.088 0.000 2.469 261 K HA 0.353 4.674 4.320 0.001 0.000 0.204 261 K C 0.520 176.919 176.600 -0.336 0.000 1.047 261 K CA 0.477 56.675 56.287 -0.150 0.000 1.072 261 K CB 1.258 33.692 32.500 -0.110 0.000 0.863 261 K HN 0.953 nan 8.250 nan 0.000 0.530 262 G N 0.947 109.453 108.800 -0.489 0.000 2.541 262 G HA2 -0.335 3.626 3.960 0.001 0.000 0.201 262 G HA3 -0.335 3.626 3.960 0.001 0.000 0.201 262 G C 1.225 175.138 174.900 -1.646 0.000 1.026 262 G CA 0.385 44.859 45.100 -1.043 0.000 0.687 262 G HN 0.273 nan 8.290 nan 0.000 0.492 263 T N -0.235 113.598 114.554 -1.202 0.000 2.746 263 T HA 0.161 4.511 4.350 0.001 0.000 0.267 263 T C 2.499 176.804 174.700 -0.658 0.000 1.039 263 T CA 2.259 63.866 62.100 -0.822 0.000 1.142 263 T CB -0.900 67.739 68.868 -0.381 0.000 0.866 263 T HN 1.329 nan 8.240 nan 0.000 0.444 264 G N 1.667 109.900 108.800 -0.945 0.000 2.433 264 G HA2 -0.225 3.736 3.960 0.001 0.000 0.216 264 G HA3 -0.225 3.736 3.960 0.001 0.000 0.216 264 G C 1.552 176.076 174.900 -0.626 0.000 1.186 264 G CA 1.001 45.352 45.100 -1.249 0.000 0.779 264 G HN 0.571 nan 8.290 nan 0.000 0.543 265 K N -0.564 119.540 120.400 -0.494 0.000 2.059 265 K HA -0.196 4.125 4.320 0.001 0.000 0.212 265 K C 2.277 178.821 176.600 -0.093 0.000 1.050 265 K CA 1.880 58.000 56.287 -0.280 0.000 0.927 265 K CB -0.319 32.034 32.500 -0.245 0.000 0.714 265 K HN 0.455 nan 8.250 nan 0.000 0.447 266 W N 0.910 122.118 121.300 -0.153 0.000 2.363 266 W HA -0.088 4.574 4.660 0.003 0.000 0.296 266 W C 2.289 178.751 176.519 -0.095 0.000 1.212 266 W CA 1.162 58.453 57.345 -0.089 0.000 1.260 266 W CB -1.424 27.999 29.460 -0.062 0.000 1.131 266 W HN 0.167 nan 8.180 nan 0.000 0.530 267 T N 0.688 115.254 114.554 0.020 0.000 2.708 267 T HA -0.108 4.243 4.350 0.001 0.000 0.266 267 T C 2.121 176.792 174.700 -0.048 0.000 1.037 267 T CA 2.244 64.295 62.100 -0.082 0.000 1.146 267 T CB -0.718 68.024 68.868 -0.211 0.000 0.865 267 T HN 0.118 nan 8.240 nan 0.000 0.435 268 A N 1.222 123.983 122.820 -0.099 0.000 1.902 268 A HA -0.032 4.289 4.320 0.001 0.000 0.217 268 A C 2.320 179.894 177.584 -0.017 0.000 1.181 268 A CA 1.241 53.222 52.037 -0.093 0.000 0.623 268 A CB -0.811 18.075 19.000 -0.190 0.000 0.818 268 A HN 0.522 nan 8.150 nan 0.000 0.443 269 I N -0.256 120.328 120.570 0.024 0.000 2.226 269 I HA -0.214 3.957 4.170 0.001 0.000 0.245 269 I C 2.638 178.812 176.117 0.096 0.000 1.100 269 I CA 1.438 62.776 61.300 0.063 0.000 1.374 269 I CB -0.411 37.651 38.000 0.102 0.000 1.057 269 I HN 0.250 nan 8.210 nan 0.000 0.413 270 S N 0.992 116.796 115.700 0.174 0.000 2.359 270 S HA -0.187 4.284 4.470 0.001 0.000 0.224 270 S C 2.295 177.062 174.600 0.279 0.000 1.035 270 S CA 1.390 59.776 58.200 0.310 0.000 1.018 270 S CB -0.403 63.036 63.200 0.398 0.000 0.876 270 S HN 0.549 nan 8.310 nan 0.000 0.448 271 A N 1.632 124.557 122.820 0.176 0.000 1.865 271 A HA -0.093 4.228 4.320 0.001 0.000 0.217 271 A C 2.166 179.813 177.584 0.105 0.000 1.191 271 A CA 1.479 53.601 52.037 0.142 0.000 0.623 271 A CB -0.923 18.116 19.000 0.066 0.000 0.826 271 A HN 0.442 nan 8.150 nan 0.000 0.444 272 L N -0.870 120.388 121.223 0.059 0.000 2.012 272 L HA -0.236 4.105 4.340 0.001 0.000 0.210 272 L C 2.617 179.478 176.870 -0.016 0.000 1.073 272 L CA 1.888 56.748 54.840 0.032 0.000 0.748 272 L CB -0.591 41.484 42.059 0.027 0.000 0.891 272 L HN 0.463 nan 8.230 nan 0.000 0.431 273 E N -1.009 119.136 120.200 -0.091 0.000 2.153 273 E HA -0.203 4.148 4.350 0.001 0.000 0.194 273 E C 1.338 177.672 176.600 -0.443 0.000 0.988 273 E CA 1.235 57.450 56.400 -0.308 0.000 0.811 273 E CB 0.073 29.486 29.700 -0.479 0.000 0.746 273 E HN 0.498 nan 8.360 nan 0.000 0.466 274 Y N -0.980 119.364 120.300 0.074 0.000 2.467 274 Y HA 0.291 4.842 4.550 0.001 0.000 0.250 274 Y C 1.166 177.087 175.900 0.034 0.000 1.155 274 Y CA 0.206 58.328 58.100 0.037 0.000 1.249 274 Y CB 1.120 39.592 38.460 0.019 0.000 1.146 274 Y HN 0.015 nan 8.280 nan 0.000 0.524 275 G N 0.923 109.801 108.800 0.129 0.000 2.225 275 G HA2 -0.227 3.734 3.960 0.001 0.000 0.264 275 G HA3 -0.227 3.734 3.960 0.001 0.000 0.264 275 G C -0.499 174.475 174.900 0.123 0.000 1.060 275 G CA 0.237 45.401 45.100 0.107 0.000 0.833 275 G HN 0.127 nan 8.290 nan 0.000 0.498 276 V N 0.466 120.459 119.914 0.133 0.000 2.398 276 V HA 0.459 4.579 4.120 0.001 0.000 0.286 276 V C -1.529 174.626 176.094 0.102 0.000 1.026 276 V CA -1.688 60.686 62.300 0.123 0.000 0.868 276 V CB 1.886 33.783 31.823 0.124 0.000 0.982 276 V HN 0.148 nan 8.190 nan 0.000 0.443 277 P HA 0.128 nan 4.420 nan 0.000 0.226 277 P C -0.090 177.197 177.300 -0.023 0.000 1.783 277 P CA 0.032 63.204 63.100 0.120 0.000 0.980 277 P CB -0.152 31.721 31.700 0.287 0.000 1.967 278 V N 1.757 121.647 119.914 -0.040 0.000 2.071 278 V HA -0.011 4.110 4.120 0.001 0.000 0.254 278 V C 1.938 177.968 176.094 -0.107 0.000 1.456 278 V CA 0.539 62.768 62.300 -0.118 0.000 1.383 278 V CB -0.970 30.810 31.823 -0.072 0.000 1.433 278 V HN 0.394 nan 8.190 nan 0.000 0.499 279 T N -0.245 114.232 114.554 -0.129 0.000 2.867 279 T HA -0.110 4.241 4.350 0.001 0.000 0.268 279 T C 1.757 176.440 174.700 -0.028 0.000 1.057 279 T CA 0.954 63.035 62.100 -0.032 0.000 1.136 279 T CB -0.113 68.781 68.868 0.043 0.000 0.874 279 T HN 0.398 nan 8.240 nan 0.000 0.466 280 L N -0.243 120.937 121.223 -0.073 0.000 2.017 280 L HA 0.024 4.365 4.340 0.001 0.000 0.208 280 L C 2.615 179.459 176.870 -0.043 0.000 1.073 280 L CA 1.035 55.852 54.840 -0.038 0.000 0.745 280 L CB -0.470 41.558 42.059 -0.052 0.000 0.894 280 L HN 0.228 nan 8.230 nan 0.000 0.432 281 I N 0.080 120.599 120.570 -0.084 0.000 2.226 281 I HA -0.169 4.002 4.170 0.001 0.000 0.245 281 I C 2.275 178.317 176.117 -0.125 0.000 1.100 281 I CA 1.620 62.856 61.300 -0.107 0.000 1.374 281 I CB -1.039 36.865 38.000 -0.160 0.000 1.057 281 I HN 0.162 nan 8.210 nan 0.000 0.413 282 G N 0.185 108.911 108.800 -0.124 0.000 2.491 282 G HA2 -0.258 3.703 3.960 0.001 0.000 0.218 282 G HA3 -0.258 3.703 3.960 0.001 0.000 0.218 282 G C 1.520 176.349 174.900 -0.118 0.000 1.180 282 G CA 0.814 45.803 45.100 -0.184 0.000 0.774 282 G HN 0.425 nan 8.290 nan 0.000 0.562 283 E N 0.882 121.104 120.200 0.037 0.000 2.110 283 E HA -0.070 4.281 4.350 0.001 0.000 0.193 283 E C 2.947 179.602 176.600 0.092 0.000 0.988 283 E CA 0.990 57.466 56.400 0.127 0.000 0.804 283 E CB -0.573 29.197 29.700 0.117 0.000 0.745 283 E HN 0.377 nan 8.360 nan 0.000 0.458 284 A N 1.133 123.978 122.820 0.041 0.000 1.883 284 A HA -0.154 4.167 4.320 0.001 0.000 0.217 284 A C 2.642 180.280 177.584 0.090 0.000 1.186 284 A CA 1.604 53.679 52.037 0.062 0.000 0.624 284 A CB -0.754 18.298 19.000 0.086 0.000 0.822 284 A HN 0.137 nan 8.150 nan 0.000 0.444 285 V N -1.118 118.820 119.914 0.040 0.000 2.295 285 V HA -0.218 3.903 4.120 0.001 0.000 0.246 285 V C 2.339 178.455 176.094 0.036 0.000 1.049 285 V CA 1.969 64.276 62.300 0.012 0.000 1.024 285 V CB -0.970 30.725 31.823 -0.213 0.000 0.648 285 V HN 0.528 nan 8.190 nan 0.000 0.447 286 F N 0.901 120.877 119.950 0.044 0.000 2.171 286 F HA -0.117 4.411 4.527 0.001 0.000 0.300 286 F C 2.418 178.235 175.800 0.028 0.000 1.090 286 F CA 0.886 58.905 58.000 0.032 0.000 1.293 286 F CB -1.347 37.671 39.000 0.029 0.000 1.013 286 F HN 0.113 nan 8.300 nan 0.000 0.486 287 A N 0.143 123.087 122.820 0.206 0.000 1.902 287 A HA -0.206 4.115 4.320 0.001 0.000 0.217 287 A C 2.420 180.051 177.584 0.078 0.000 1.181 287 A CA 1.564 53.673 52.037 0.120 0.000 0.623 287 A CB -0.641 18.410 19.000 0.085 0.000 0.818 287 A HN 0.298 nan 8.150 nan 0.000 0.443 288 R N -0.887 119.648 120.500 0.059 0.000 2.091 288 R HA -0.166 4.175 4.340 0.001 0.000 0.238 288 R C 2.300 178.628 176.300 0.047 0.000 1.136 288 R CA 1.625 57.737 56.100 0.020 0.000 0.959 288 R CB -0.855 29.437 30.300 -0.015 0.000 0.856 288 R HN 0.637 nan 8.270 nan 0.000 0.437 289 C N 0.627 119.985 119.300 0.097 0.000 2.413 289 C HA -0.100 4.361 4.460 0.001 0.000 0.276 289 C C 2.568 177.602 174.990 0.072 0.000 1.236 289 C CA 0.235 59.314 59.018 0.102 0.000 1.735 289 C CB -0.975 26.875 27.740 0.183 0.000 2.031 289 C HN 0.445 nan 8.230 nan 0.000 0.474 290 L N 2.435 123.706 121.223 0.079 0.000 2.042 290 L HA -0.143 4.198 4.340 0.001 0.000 0.210 290 L C 2.740 179.631 176.870 0.036 0.000 1.076 290 L CA 2.686 57.556 54.840 0.049 0.000 0.749 290 L CB -0.941 41.150 42.059 0.054 0.000 0.893 290 L HN 0.486 nan 8.230 nan 0.000 0.432 291 S N -2.440 113.280 115.700 0.033 0.000 2.423 291 S HA -0.136 4.334 4.470 0.001 0.000 0.231 291 S C 1.986 176.592 174.600 0.011 0.000 1.014 291 S CA 1.156 59.367 58.200 0.018 0.000 0.965 291 S CB -0.742 62.461 63.200 0.006 0.000 0.785 291 S HN 0.483 nan 8.310 nan 0.000 0.495 292 S N 1.939 117.647 115.700 0.013 0.000 2.419 292 S HA 0.173 4.644 4.470 0.001 0.000 0.233 292 S C 1.131 175.737 174.600 0.010 0.000 1.016 292 S CA 0.736 58.941 58.200 0.009 0.000 0.974 292 S CB -0.556 62.652 63.200 0.014 0.000 0.786 292 S HN 0.534 nan 8.310 nan 0.000 0.492 293 L N 2.027 123.258 121.223 0.014 0.000 2.930 293 L HA 0.121 4.462 4.340 0.001 0.000 0.250 293 L C 1.768 178.644 176.870 0.010 0.000 1.320 293 L CA -0.150 54.697 54.840 0.011 0.000 1.163 293 L CB -0.387 41.679 42.059 0.011 0.000 1.542 293 L HN 0.116 nan 8.230 nan 0.000 0.428 294 K N 0.977 121.382 120.400 0.008 0.000 2.020 294 K HA -0.218 4.103 4.320 0.001 0.000 0.212 294 K C 1.470 178.074 176.600 0.007 0.000 1.050 294 K CA 1.883 58.174 56.287 0.007 0.000 0.929 294 K CB 0.016 32.518 32.500 0.003 0.000 0.714 294 K HN 0.248 nan 8.250 nan 0.000 0.443 295 D N 0.555 120.959 120.400 0.006 0.000 2.117 295 D HA -0.147 4.494 4.640 0.001 0.000 0.197 295 D C 1.810 178.114 176.300 0.006 0.000 0.987 295 D CA 1.173 55.176 54.000 0.006 0.000 0.829 295 D CB -0.132 40.671 40.800 0.005 0.000 0.961 295 D HN 0.447 nan 8.370 nan 0.000 0.460 296 E N 0.434 120.637 120.200 0.006 0.000 2.085 296 E HA -0.147 4.204 4.350 0.001 0.000 0.194 296 E C 2.228 178.833 176.600 0.008 0.000 0.994 296 E CA 0.664 57.068 56.400 0.006 0.000 0.801 296 E CB 0.010 29.712 29.700 0.005 0.000 0.743 296 E HN 0.271 nan 8.360 nan 0.000 0.453 297 R N 0.296 120.803 120.500 0.011 0.000 2.092 297 R HA -0.057 4.284 4.340 0.001 0.000 0.231 297 R C 2.454 178.763 176.300 0.015 0.000 1.119 297 R CA 0.790 56.899 56.100 0.014 0.000 0.970 297 R CB -0.240 30.070 30.300 0.018 0.000 0.864 297 R HN 0.196 nan 8.270 nan 0.000 0.440 298 I N 0.933 121.510 120.570 0.012 0.000 2.163 298 I HA -0.318 3.853 4.170 0.001 0.000 0.243 298 I C 2.504 178.628 176.117 0.011 0.000 1.085 298 I CA 1.248 62.556 61.300 0.012 0.000 1.347 298 I CB -0.292 37.714 38.000 0.010 0.000 1.044 298 I HN 0.154 nan 8.210 nan 0.000 0.408 299 Q N 0.669 120.475 119.800 0.009 0.000 2.030 299 Q HA -0.214 4.127 4.340 0.001 0.000 0.204 299 Q C 2.459 178.464 176.000 0.008 0.000 0.986 299 Q CA 2.171 57.979 55.803 0.008 0.000 0.843 299 Q CB -0.770 27.972 28.738 0.006 0.000 0.904 299 Q HN 0.585 nan 8.270 nan 0.000 0.420 300 A N 1.118 123.943 122.820 0.009 0.000 1.978 300 A HA -0.187 4.134 4.320 0.001 0.000 0.220 300 A C 2.325 179.916 177.584 0.012 0.000 1.170 300 A CA 2.152 54.194 52.037 0.009 0.000 0.636 300 A CB -0.674 18.332 19.000 0.009 0.000 0.810 300 A HN 0.513 nan 8.150 nan 0.000 0.448 301 S N -0.362 115.347 115.700 0.015 0.000 2.442 301 S HA -0.133 4.337 4.470 0.001 0.000 0.236 301 S C 1.665 176.274 174.600 0.016 0.000 1.007 301 S CA 1.272 59.483 58.200 0.018 0.000 0.965 301 S CB -0.177 63.035 63.200 0.021 0.000 0.773 301 S HN 0.485 nan 8.310 nan 0.000 0.504 302 K N 1.652 122.060 120.400 0.013 0.000 2.167 302 K HA 0.155 4.476 4.320 0.001 0.000 0.203 302 K C 1.824 178.430 176.600 0.010 0.000 1.052 302 K CA 0.976 57.270 56.287 0.012 0.000 0.956 302 K CB -0.175 32.331 32.500 0.010 0.000 0.735 302 K HN 0.547 nan 8.250 nan 0.000 0.451 303 K N 0.230 120.636 120.400 0.009 0.000 2.313 303 K HA 0.213 4.534 4.320 0.001 0.000 0.197 303 K C 0.588 177.193 176.600 0.008 0.000 1.061 303 K CA 0.078 56.370 56.287 0.008 0.000 0.980 303 K CB 0.398 32.901 32.500 0.006 0.000 0.888 303 K HN -0.015 nan 8.250 nan 0.000 0.502 304 L N 2.535 123.763 121.223 0.009 0.000 2.257 304 L HA 0.209 4.549 4.340 0.001 0.000 0.290 304 L C -0.214 176.663 176.870 0.011 0.000 1.044 304 L CA -0.663 54.182 54.840 0.008 0.000 0.810 304 L CB 1.135 43.198 42.059 0.007 0.000 1.193 304 L HN -0.176 nan 8.230 nan 0.000 0.425 305 K N 1.419 121.825 120.400 0.010 0.000 2.098 305 K HA 0.660 4.980 4.320 0.001 0.000 0.261 305 K C 0.442 177.048 176.600 0.010 0.000 0.987 305 K CA -0.286 56.009 56.287 0.012 0.000 0.916 305 K CB 1.882 34.389 32.500 0.013 0.000 1.039 305 K HN 0.811 nan 8.250 nan 0.000 0.455 306 G N 0.782 109.589 108.800 0.011 0.000 2.606 306 G HA2 0.487 4.448 3.960 0.001 0.000 0.262 306 G HA3 0.487 4.448 3.960 0.001 0.000 0.262 306 G C -2.354 172.551 174.900 0.009 0.000 1.394 306 G CA -1.283 43.819 45.100 0.004 0.000 1.044 306 G HN 0.514 nan 8.290 nan 0.000 0.553 307 P HA 0.155 nan 4.420 nan 0.000 0.267 307 P C 0.310 177.642 177.300 0.054 0.000 1.209 307 P CA -0.066 63.049 63.100 0.025 0.000 0.763 307 P CB 1.081 32.786 31.700 0.009 0.000 0.816 308 Q N 2.792 122.624 119.800 0.053 0.000 2.096 308 Q HA -0.041 4.299 4.340 0.001 0.000 0.197 308 Q C 1.194 177.237 176.000 0.071 0.000 0.964 308 Q CA 1.586 57.420 55.803 0.052 0.000 0.838 308 Q CB -0.284 28.475 28.738 0.035 0.000 0.906 308 Q HN 0.520 nan 8.270 nan 0.000 0.444 309 K N 0.293 120.743 120.400 0.083 0.000 2.901 309 K HA 0.280 4.601 4.320 0.001 0.000 0.199 309 K C -1.040 175.630 176.600 0.116 0.000 1.140 309 K CA -0.447 55.884 56.287 0.073 0.000 1.030 309 K CB -0.614 31.908 32.500 0.036 0.000 1.437 309 K HN 0.117 nan 8.250 nan 0.000 0.552 310 F N 1.239 121.189 119.950 0.001 0.000 2.444 310 F HA 0.609 5.137 4.527 0.002 0.000 0.342 310 F C 0.052 175.858 175.800 0.010 0.000 1.121 310 F CA -0.437 57.564 58.000 0.002 0.000 0.997 310 F CB 1.900 40.902 39.000 0.004 0.000 1.130 310 F HN 0.434 nan 8.300 nan 0.000 0.454 311 Q N 5.769 125.095 119.800 -0.789 0.000 2.285 311 Q HA 0.420 4.761 4.340 0.001 0.000 0.269 311 Q C -1.807 173.655 176.000 -0.897 0.000 1.030 311 Q CA -0.882 54.553 55.803 -0.614 0.000 0.788 311 Q CB 1.533 30.104 28.738 -0.278 0.000 1.266 311 Q HN 0.791 nan 8.270 nan 0.000 0.438 312 F N 2.281 121.795 119.950 -0.727 0.000 2.494 312 F HA 0.474 5.002 4.527 0.001 0.000 0.369 312 F C 0.528 176.151 175.800 -0.295 0.000 1.098 312 F CA 0.507 58.221 58.000 -0.475 0.000 1.154 312 F CB 0.417 39.307 39.000 -0.185 0.000 1.103 312 F HN 0.688 nan 8.300 nan 0.000 0.549 313 D N 4.681 124.565 120.400 -0.861 0.000 2.634 313 D HA 0.581 5.222 4.640 0.001 0.000 0.318 313 D C 0.132 175.971 176.300 -0.769 0.000 1.226 313 D CA 0.071 53.681 54.000 -0.650 0.000 0.899 313 D CB 0.357 40.927 40.800 -0.383 0.000 1.025 313 D HN 0.941 nan 8.370 nan 0.000 0.501 314 G N -0.538 107.537 108.800 -1.208 0.000 2.788 314 G HA2 0.481 4.441 3.960 0.001 0.000 0.293 314 G HA3 0.481 4.441 3.960 0.001 0.000 0.293 314 G C -1.396 173.329 174.900 -0.293 0.000 1.392 314 G CA -0.581 44.081 45.100 -0.729 0.000 0.810 314 G HN 0.205 nan 8.290 nan 0.000 0.508 315 D N 0.016 120.421 120.400 0.009 0.000 2.344 315 D HA 0.197 4.838 4.640 0.001 0.000 0.253 315 D C 1.484 177.998 176.300 0.356 0.000 1.255 315 D CA -0.087 54.005 54.000 0.153 0.000 0.894 315 D CB 0.895 41.762 40.800 0.111 0.000 1.067 315 D HN 0.340 nan 8.370 nan 0.000 0.492 316 K N 3.086 123.718 120.400 0.386 0.000 2.074 316 K HA -0.241 4.080 4.320 0.001 0.000 0.209 316 K C 1.715 178.466 176.600 0.251 0.000 1.048 316 K CA 1.188 57.690 56.287 0.358 0.000 0.926 316 K CB 0.064 32.707 32.500 0.239 0.000 0.713 316 K HN 0.371 nan 8.250 nan 0.000 0.444 317 K N 0.743 121.253 120.400 0.183 0.000 2.057 317 K HA -0.131 4.189 4.320 0.001 0.000 0.207 317 K C 2.372 179.061 176.600 0.148 0.000 1.049 317 K CA 1.485 57.854 56.287 0.137 0.000 0.931 317 K CB -0.091 32.468 32.500 0.098 0.000 0.714 317 K HN -0.025 nan 8.250 nan 0.000 0.440 318 S N -0.191 115.614 115.700 0.175 0.000 2.368 318 S HA -0.148 4.322 4.470 0.001 0.000 0.225 318 S C 1.650 176.372 174.600 0.203 0.000 1.030 318 S CA 1.058 59.356 58.200 0.164 0.000 0.999 318 S CB -0.380 62.919 63.200 0.165 0.000 0.844 318 S HN 0.450 nan 8.310 nan 0.000 0.459 319 F N 1.475 121.507 119.950 0.137 0.000 2.259 319 F HA 0.096 4.624 4.527 0.001 0.000 0.298 319 F C 1.725 177.555 175.800 0.050 0.000 1.088 319 F CA 0.686 58.749 58.000 0.105 0.000 1.358 319 F CB -0.430 38.650 39.000 0.135 0.000 1.040 319 F HN 0.236 nan 8.300 nan 0.000 0.505 320 L N 0.819 122.078 121.223 0.059 0.000 2.042 320 L HA -0.193 4.148 4.340 0.001 0.000 0.210 320 L C 2.330 179.213 176.870 0.022 0.000 1.076 320 L CA 2.212 57.083 54.840 0.052 0.000 0.749 320 L CB -1.131 41.014 42.059 0.143 0.000 0.893 320 L HN 0.227 nan 8.230 nan 0.000 0.432 321 E N -0.474 119.727 120.200 0.001 0.000 2.110 321 E HA -0.218 4.133 4.350 0.001 0.000 0.193 321 E C 1.793 178.273 176.600 -0.200 0.000 0.988 321 E CA 1.521 57.873 56.400 -0.080 0.000 0.804 321 E CB -0.211 29.474 29.700 -0.025 0.000 0.745 321 E HN 0.509 nan 8.360 nan 0.000 0.458 322 D N 0.153 120.427 120.400 -0.210 0.000 2.104 322 D HA -0.172 4.469 4.640 0.001 0.000 0.194 322 D C 2.027 178.089 176.300 -0.396 0.000 0.994 322 D CA 1.401 55.238 54.000 -0.271 0.000 0.830 322 D CB -0.300 40.331 40.800 -0.282 0.000 0.959 322 D HN 0.321 nan 8.370 nan 0.000 0.452 323 I N 0.521 120.772 120.570 -0.532 0.000 2.208 323 I HA -0.276 3.895 4.170 0.001 0.000 0.245 323 I C 2.643 178.471 176.117 -0.482 0.000 1.097 323 I CA 0.990 62.016 61.300 -0.457 0.000 1.363 323 I CB -0.262 37.572 38.000 -0.276 0.000 1.051 323 I HN -0.024 nan 8.210 nan 0.000 0.413 324 R N 1.514 121.582 120.500 -0.720 0.000 2.083 324 R HA -0.196 4.144 4.340 0.001 0.000 0.237 324 R C 2.269 178.227 176.300 -0.571 0.000 1.137 324 R CA 1.667 57.085 56.100 -1.137 0.000 0.951 324 R CB -0.050 29.434 30.300 -1.360 0.000 0.851 324 R HN 0.317 nan 8.270 nan 0.000 0.434 325 K N -0.348 119.822 120.400 -0.383 0.000 2.103 325 K HA -0.034 4.287 4.320 0.001 0.000 0.204 325 K C 2.080 178.536 176.600 -0.241 0.000 1.052 325 K CA 1.035 57.188 56.287 -0.223 0.000 0.945 325 K CB -0.046 32.359 32.500 -0.159 0.000 0.722 325 K HN 0.208 nan 8.250 nan 0.000 0.443 326 A N 1.573 124.223 122.820 -0.283 0.000 1.902 326 A HA -0.170 4.151 4.320 0.001 0.000 0.217 326 A C 2.092 179.539 177.584 -0.229 0.000 1.181 326 A CA 1.199 53.010 52.037 -0.376 0.000 0.623 326 A CB -0.496 18.279 19.000 -0.374 0.000 0.818 326 A HN 0.223 nan 8.150 nan 0.000 0.443 327 L N -1.774 119.444 121.223 -0.008 0.000 2.046 327 L HA -0.123 4.218 4.340 0.001 0.000 0.208 327 L C 2.275 179.181 176.870 0.060 0.000 1.077 327 L CA 2.160 57.121 54.840 0.203 0.000 0.747 327 L CB -0.926 41.213 42.059 0.134 0.000 0.896 327 L HN 0.509 nan 8.230 nan 0.000 0.432 328 Y N 0.315 120.508 120.300 -0.178 0.000 2.145 328 Y HA -0.203 4.348 4.550 0.002 0.000 0.286 328 Y C 2.397 178.178 175.900 -0.198 0.000 1.145 328 Y CA 1.596 59.615 58.100 -0.135 0.000 1.148 328 Y CB -0.824 37.533 38.460 -0.172 0.000 0.981 328 Y HN 0.252 nan 8.280 nan 0.000 0.507 329 A N -0.963 121.542 122.820 -0.525 0.000 1.898 329 A HA -0.151 4.170 4.320 0.001 0.000 0.216 329 A C 2.453 179.590 177.584 -0.745 0.000 1.181 329 A CA 1.983 53.510 52.037 -0.849 0.000 0.620 329 A CB -1.105 17.079 19.000 -1.359 0.000 0.819 329 A HN 0.471 nan 8.150 nan 0.000 0.442 330 S N -0.416 114.904 115.700 -0.634 0.000 2.368 330 S HA -0.147 4.324 4.470 0.001 0.000 0.225 330 S C 1.999 176.574 174.600 -0.040 0.000 1.030 330 S CA 1.425 59.513 58.200 -0.187 0.000 0.999 330 S CB -0.251 62.992 63.200 0.072 0.000 0.844 330 S HN 0.642 nan 8.310 nan 0.000 0.459 331 K N 1.116 121.511 120.400 -0.008 0.000 2.103 331 K HA -0.095 4.226 4.320 0.001 0.000 0.207 331 K C 1.973 178.709 176.600 0.228 0.000 1.048 331 K CA 1.242 57.630 56.287 0.169 0.000 0.930 331 K CB -0.301 32.350 32.500 0.252 0.000 0.716 331 K HN 0.335 nan 8.250 nan 0.000 0.444 332 I N 1.279 121.839 120.570 -0.016 0.000 2.179 332 I HA -0.307 3.864 4.170 0.001 0.000 0.242 332 I C 2.209 178.343 176.117 0.028 0.000 1.088 332 I CA 0.754 62.006 61.300 -0.080 0.000 1.357 332 I CB -0.231 37.607 38.000 -0.269 0.000 1.051 332 I HN 0.163 nan 8.210 nan 0.000 0.409 333 I N 0.173 120.766 120.570 0.038 0.000 2.151 333 I HA -0.334 3.837 4.170 0.001 0.000 0.243 333 I C 2.767 178.910 176.117 0.045 0.000 1.080 333 I CA 1.497 62.856 61.300 0.099 0.000 1.339 333 I CB -1.504 36.621 38.000 0.208 0.000 1.039 333 I HN 0.251 nan 8.210 nan 0.000 0.409 334 S N 0.390 116.138 115.700 0.080 0.000 2.369 334 S HA -0.266 4.204 4.470 0.001 0.000 0.225 334 S C 2.193 176.828 174.600 0.058 0.000 1.043 334 S CA 1.880 60.104 58.200 0.040 0.000 1.074 334 S CB -0.442 62.798 63.200 0.068 0.000 0.962 334 S HN 0.377 nan 8.310 nan 0.000 0.433 335 Y N 1.574 121.924 120.300 0.083 0.000 2.181 335 Y HA -0.007 4.544 4.550 0.001 0.000 0.288 335 Y C 2.732 178.755 175.900 0.205 0.000 1.146 335 Y CA 0.866 59.084 58.100 0.197 0.000 1.164 335 Y CB -1.026 37.610 38.460 0.293 0.000 0.982 335 Y HN 0.372 nan 8.280 nan 0.000 0.515 336 A N -0.078 122.859 122.820 0.195 0.000 1.908 336 A HA -0.291 4.030 4.320 0.001 0.000 0.218 336 A C 2.123 179.758 177.584 0.085 0.000 1.181 336 A CA 2.023 54.115 52.037 0.091 0.000 0.627 336 A CB -0.755 18.244 19.000 -0.001 0.000 0.818 336 A HN 0.551 nan 8.150 nan 0.000 0.445 337 Q N -0.912 118.869 119.800 -0.031 0.000 2.050 337 Q HA -0.094 4.246 4.340 0.001 0.000 0.202 337 Q C 2.286 178.278 176.000 -0.013 0.000 0.980 337 Q CA 1.162 56.895 55.803 -0.117 0.000 0.840 337 Q CB -0.529 28.049 28.738 -0.268 0.000 0.898 337 Q HN 0.691 nan 8.270 nan 0.000 0.424 338 G N 0.382 109.182 108.800 0.001 0.000 2.513 338 G HA2 -0.277 3.684 3.960 0.001 0.000 0.219 338 G HA3 -0.277 3.684 3.960 0.001 0.000 0.219 338 G C 1.037 175.936 174.900 -0.001 0.000 1.160 338 G CA 0.943 46.027 45.100 -0.027 0.000 0.767 338 G HN 0.264 nan 8.290 nan 0.000 0.571 339 F N 0.340 120.365 119.950 0.126 0.000 2.325 339 F HA 0.156 4.683 4.527 0.001 0.000 0.299 339 F C 2.921 178.746 175.800 0.041 0.000 1.090 339 F CA 0.840 58.916 58.000 0.126 0.000 1.392 339 F CB -0.106 39.012 39.000 0.197 0.000 1.053 339 F HN 0.054 nan 8.300 nan 0.000 0.521 340 M N -0.949 118.759 119.600 0.180 0.000 2.117 340 M HA -0.205 4.276 4.480 0.001 0.000 0.262 340 M C 2.194 178.549 176.300 0.091 0.000 1.065 340 M CA 1.339 56.702 55.300 0.105 0.000 1.114 340 M CB -0.508 32.138 32.600 0.077 0.000 1.361 340 M HN 0.192 nan 8.290 nan 0.000 0.408 341 L N 0.627 121.912 121.223 0.103 0.000 2.056 341 L HA -0.115 4.226 4.340 0.001 0.000 0.207 341 L C 2.035 179.029 176.870 0.206 0.000 1.078 341 L CA 1.760 56.692 54.840 0.154 0.000 0.749 341 L CB -0.612 41.537 42.059 0.151 0.000 0.901 341 L HN 0.245 nan 8.230 nan 0.000 0.433 342 L N -0.801 120.540 121.223 0.196 0.000 2.017 342 L HA -0.214 4.126 4.340 0.001 0.000 0.208 342 L C 2.734 179.722 176.870 0.196 0.000 1.073 342 L CA 1.585 56.569 54.840 0.240 0.000 0.745 342 L CB -0.605 41.592 42.059 0.230 0.000 0.894 342 L HN 0.275 nan 8.230 nan 0.000 0.432 343 R N 0.337 120.903 120.500 0.110 0.000 2.091 343 R HA -0.238 4.102 4.340 0.001 0.000 0.238 343 R C 2.280 178.576 176.300 -0.008 0.000 1.136 343 R CA 1.636 57.762 56.100 0.044 0.000 0.959 343 R CB -0.373 29.866 30.300 -0.102 0.000 0.856 343 R HN 0.202 nan 8.270 nan 0.000 0.437 344 Q N -0.004 119.770 119.800 -0.043 0.000 2.124 344 Q HA 0.021 4.361 4.340 0.001 0.000 0.202 344 Q C 1.915 177.687 176.000 -0.379 0.000 0.977 344 Q CA 2.139 57.854 55.803 -0.147 0.000 0.850 344 Q CB -0.461 28.237 28.738 -0.067 0.000 0.901 344 Q HN 0.458 nan 8.270 nan 0.000 0.429 345 A N 0.216 122.793 122.820 -0.405 0.000 1.902 345 A HA -0.081 4.240 4.320 0.001 0.000 0.217 345 A C 2.287 179.476 177.584 -0.658 0.000 1.181 345 A CA 1.917 53.503 52.037 -0.751 0.000 0.623 345 A CB -1.191 17.198 19.000 -1.019 0.000 0.818 345 A HN 0.499 nan 8.150 nan 0.000 0.443 346 A N -1.213 121.439 122.820 -0.281 0.000 1.940 346 A HA -0.100 4.221 4.320 0.001 0.000 0.219 346 A C 2.310 179.737 177.584 -0.261 0.000 1.176 346 A CA 2.357 54.304 52.037 -0.150 0.000 0.631 346 A CB -1.177 17.855 19.000 0.054 0.000 0.814 346 A HN 0.432 nan 8.150 nan 0.000 0.446 347 T N -0.823 113.560 114.554 -0.286 0.000 2.770 347 T HA -0.085 4.266 4.350 0.001 0.000 0.263 347 T C 1.944 176.373 174.700 -0.452 0.000 1.039 347 T CA 1.644 63.578 62.100 -0.278 0.000 1.142 347 T CB -0.206 68.540 68.868 -0.202 0.000 0.868 347 T HN 0.527 nan 8.240 nan 0.000 0.435 348 E N 0.318 120.053 120.200 -0.775 0.000 2.110 348 E HA -0.049 4.302 4.350 0.001 0.000 0.193 348 E C 1.132 177.071 176.600 -1.102 0.000 0.988 348 E CA 1.221 56.946 56.400 -1.127 0.000 0.804 348 E CB -0.126 28.417 29.700 -1.928 0.000 0.745 348 E HN 0.548 nan 8.360 nan 0.000 0.458 349 F N -2.348 117.175 119.950 -0.711 0.000 2.706 349 F HA 0.390 4.917 4.527 0.000 0.000 0.308 349 F C 1.578 177.028 175.800 -0.584 0.000 1.095 349 F CA 0.319 57.820 58.000 -0.832 0.000 1.244 349 F CB 0.617 38.575 39.000 -1.737 0.000 1.063 349 F HN 0.086 nan 8.300 nan 0.000 0.582 350 G N -0.716 107.908 108.800 -0.293 0.000 2.162 350 G HA2 -0.279 3.682 3.960 0.001 0.000 0.260 350 G HA3 -0.279 3.682 3.960 0.001 0.000 0.260 350 G C 0.016 174.961 174.900 0.075 0.000 0.976 350 G CA -0.332 44.718 45.100 -0.084 0.000 0.655 350 G HN 0.132 nan 8.290 nan 0.000 0.533 351 W N 1.697 122.987 121.300 -0.017 0.000 2.264 351 W HA 0.453 5.113 4.660 0.001 0.000 0.331 351 W C 1.212 177.674 176.519 -0.094 0.000 1.364 351 W CA 0.221 57.530 57.345 -0.061 0.000 1.253 351 W CB -0.355 29.044 29.460 -0.102 0.000 1.215 351 W HN 0.413 nan 8.180 nan 0.000 0.561 352 T N 1.905 116.532 114.554 0.122 0.000 3.579 352 T HA 0.508 4.859 4.350 0.001 0.000 0.328 352 T C 0.016 174.646 174.700 -0.116 0.000 1.481 352 T CA -0.613 61.485 62.100 -0.003 0.000 1.144 352 T CB -0.552 68.316 68.868 -0.000 0.000 1.205 352 T HN 0.190 nan 8.240 nan 0.000 0.812 353 L N 2.866 123.958 121.223 -0.219 0.000 2.349 353 L HA 0.387 4.728 4.340 0.001 0.000 0.275 353 L C 0.807 177.251 176.870 -0.710 0.000 1.115 353 L CA -0.766 53.808 54.840 -0.444 0.000 0.820 353 L CB 0.500 42.272 42.059 -0.479 0.000 1.135 353 L HN 0.473 nan 8.230 nan 0.000 0.445 354 N N 2.085 120.464 118.700 -0.535 0.000 2.558 354 N HA 0.103 4.844 4.740 0.001 0.000 0.233 354 N C 0.392 175.629 175.510 -0.454 0.000 1.038 354 N CA -0.162 52.621 53.050 -0.445 0.000 0.934 354 N CB 0.439 38.785 38.487 -0.236 0.000 1.175 354 N HN 0.347 nan 8.380 nan 0.000 0.512 355 Y N 1.633 121.758 120.300 -0.292 0.000 2.145 355 Y HA 0.012 4.562 4.550 0.001 0.000 0.286 355 Y C 2.338 178.111 175.900 -0.212 0.000 1.145 355 Y CA 1.489 59.360 58.100 -0.382 0.000 1.148 355 Y CB -0.657 37.073 38.460 -1.217 0.000 0.981 355 Y HN 0.547 nan 8.280 nan 0.000 0.507 356 G N -0.122 108.662 108.800 -0.025 0.000 2.440 356 G HA2 -0.226 3.735 3.960 0.001 0.000 0.218 356 G HA3 -0.226 3.735 3.960 0.001 0.000 0.218 356 G C 2.050 176.972 174.900 0.037 0.000 1.154 356 G CA 1.024 46.197 45.100 0.123 0.000 0.767 356 G HN 0.540 nan 8.290 nan 0.000 0.552 357 G N 0.987 109.758 108.800 -0.047 0.000 2.418 357 G HA2 -0.163 3.798 3.960 0.001 0.000 0.217 357 G HA3 -0.163 3.798 3.960 0.001 0.000 0.217 357 G C 1.782 176.581 174.900 -0.169 0.000 1.158 357 G CA 0.798 45.844 45.100 -0.089 0.000 0.771 357 G HN 0.443 nan 8.290 nan 0.000 0.545 358 I N 1.445 121.865 120.570 -0.249 0.000 2.208 358 I HA -0.225 3.946 4.170 0.001 0.000 0.245 358 I C 3.305 179.035 176.117 -0.646 0.000 1.097 358 I CA 1.018 62.008 61.300 -0.517 0.000 1.363 358 I CB -0.224 37.449 38.000 -0.545 0.000 1.051 358 I HN 0.254 nan 8.210 nan 0.000 0.413 359 A N 0.886 123.610 122.820 -0.160 0.000 1.908 359 A HA -0.174 4.146 4.320 0.001 0.000 0.218 359 A C 2.304 179.948 177.584 0.100 0.000 1.181 359 A CA 1.444 53.555 52.037 0.123 0.000 0.627 359 A CB -0.827 18.354 19.000 0.302 0.000 0.818 359 A HN 0.400 nan 8.150 nan 0.000 0.445 360 L N -1.335 119.906 121.223 0.030 0.000 2.093 360 L HA -0.169 4.172 4.340 0.001 0.000 0.208 360 L C 2.699 179.595 176.870 0.044 0.000 1.085 360 L CA 1.348 56.221 54.840 0.055 0.000 0.755 360 L CB -0.532 41.550 42.059 0.037 0.000 0.904 360 L HN 0.435 nan 8.230 nan 0.000 0.435 361 M N -1.652 117.906 119.600 -0.072 0.000 2.446 361 M HA -0.199 4.282 4.480 0.001 0.000 0.263 361 M C 1.297 177.703 176.300 0.176 0.000 1.066 361 M CA 1.417 56.697 55.300 -0.032 0.000 1.087 361 M CB -0.205 32.291 32.600 -0.174 0.000 1.406 361 M HN 0.319 nan 8.290 nan 0.000 0.459 362 W N -0.103 121.273 121.300 0.127 0.000 3.290 362 W HA 0.169 4.830 4.660 0.001 0.000 0.287 362 W C 1.670 178.257 176.519 0.113 0.000 1.288 362 W CA -0.014 57.416 57.345 0.142 0.000 1.725 362 W CB -0.706 28.878 29.460 0.207 0.000 1.103 362 W HN 0.212 nan 8.180 nan 0.000 0.670 363 R N -0.305 120.365 120.500 0.284 0.000 2.236 363 R HA 0.140 4.481 4.340 0.001 0.000 0.208 363 R C 1.230 177.616 176.300 0.142 0.000 1.036 363 R CA 0.826 57.040 56.100 0.190 0.000 1.001 363 R CB -0.040 30.346 30.300 0.143 0.000 0.896 363 R HN -0.032 nan 8.270 nan 0.000 0.464 364 G N -2.184 106.699 108.800 0.139 0.000 2.660 364 G HA2 0.419 4.380 3.960 0.001 0.000 0.294 364 G HA3 0.419 4.380 3.960 0.001 0.000 0.294 364 G C -0.093 174.847 174.900 0.066 0.000 1.369 364 G CA -0.355 44.800 45.100 0.092 0.000 0.912 364 G HN 0.080 nan 8.290 nan 0.000 0.479 365 G N -1.526 107.284 108.800 0.016 0.000 2.390 365 G HA2 -0.048 3.913 3.960 0.001 0.000 0.299 365 G HA3 -0.048 3.913 3.960 0.001 0.000 0.299 365 G C 0.328 175.181 174.900 -0.078 0.000 1.002 365 G CA 0.912 45.993 45.100 -0.032 0.000 0.979 365 G HN 1.588 nan 8.290 nan 0.000 0.513 366 C N 0.011 119.235 119.300 -0.127 0.000 2.686 366 C HA 0.630 5.090 4.460 0.001 0.000 0.318 366 C C 1.629 176.471 174.990 -0.247 0.000 1.160 366 C CA -0.892 58.079 59.018 -0.078 0.000 1.396 366 C CB 0.583 28.383 27.740 0.099 0.000 1.924 366 C HN 0.300 nan 8.230 nan 0.000 0.471 367 I N 4.694 125.154 120.570 -0.183 0.000 2.394 367 I HA -0.074 4.097 4.170 0.001 0.000 0.251 367 I C 1.719 177.799 176.117 -0.062 0.000 1.136 367 I CA 1.825 62.983 61.300 -0.237 0.000 1.425 367 I CB -0.636 37.339 38.000 -0.043 0.000 1.079 367 I HN 0.799 nan 8.210 nan 0.000 0.425 368 I N -1.004 119.450 120.570 -0.193 0.000 3.874 368 I HA 0.229 4.400 4.170 0.001 0.000 0.331 368 I C 1.050 177.196 176.117 0.048 0.000 1.489 368 I CA -0.513 60.699 61.300 -0.148 0.000 1.187 368 I CB -0.355 37.343 38.000 -0.502 0.000 1.150 368 I HN -0.020 nan 8.210 nan 0.000 0.412 369 R N 2.288 122.832 120.500 0.073 0.000 2.502 369 R HA 0.158 4.499 4.340 0.001 0.000 0.292 369 R C -0.291 176.057 176.300 0.081 0.000 0.998 369 R CA 0.520 56.693 56.100 0.121 0.000 1.056 369 R CB 0.466 30.833 30.300 0.112 0.000 0.939 369 R HN 0.539 nan 8.270 nan 0.000 0.411 370 S N 2.752 118.447 115.700 -0.008 0.000 2.569 370 S HA 0.100 4.571 4.470 0.001 0.000 0.280 370 S C 0.455 174.940 174.600 -0.193 0.000 1.111 370 S CA -0.805 57.263 58.200 -0.220 0.000 0.887 370 S CB 2.015 64.801 63.200 -0.690 0.000 1.095 370 S HN 0.490 nan 8.310 nan 0.000 0.476 371 V N 3.558 123.376 119.914 -0.159 0.000 2.720 371 V HA 0.019 4.140 4.120 0.001 0.000 0.256 371 V C 1.367 177.479 176.094 0.029 0.000 1.082 371 V CA 2.340 64.624 62.300 -0.028 0.000 1.101 371 V CB -1.034 30.804 31.823 0.024 0.000 0.693 371 V HN 0.858 nan 8.190 nan 0.000 0.479 372 F N -1.803 118.192 119.950 0.074 0.000 2.693 372 F HA 0.362 4.890 4.527 0.001 0.000 0.303 372 F C 1.321 177.147 175.800 0.042 0.000 1.097 372 F CA -0.297 57.713 58.000 0.017 0.000 1.330 372 F CB -1.402 37.672 39.000 0.124 0.000 1.067 372 F HN 0.068 nan 8.300 nan 0.000 0.565 373 L N 0.978 122.369 121.223 0.280 0.000 2.187 373 L HA -0.087 4.254 4.340 0.001 0.000 0.213 373 L C 2.684 179.697 176.870 0.239 0.000 1.100 373 L CA 1.407 56.448 54.840 0.335 0.000 0.765 373 L CB -1.107 41.129 42.059 0.294 0.000 0.904 373 L HN 0.476 nan 8.230 nan 0.000 0.437 374 G N -0.510 108.375 108.800 0.143 0.000 2.422 374 G HA2 -0.198 3.763 3.960 0.001 0.000 0.218 374 G HA3 -0.198 3.763 3.960 0.001 0.000 0.218 374 G C 1.699 176.609 174.900 0.016 0.000 1.140 374 G CA 0.287 45.429 45.100 0.071 0.000 0.775 374 G HN 0.123 nan 8.290 nan 0.000 0.545 375 K N 0.498 120.864 120.400 -0.056 0.000 2.097 375 K HA 0.112 4.433 4.320 0.001 0.000 0.205 375 K C 2.395 179.018 176.600 0.039 0.000 1.050 375 K CA 0.426 56.564 56.287 -0.249 0.000 0.938 375 K CB -0.502 31.445 32.500 -0.923 0.000 0.718 375 K HN 0.398 nan 8.250 nan 0.000 0.442 376 I N 1.009 121.701 120.570 0.204 0.000 2.179 376 I HA -0.306 3.865 4.170 0.001 0.000 0.242 376 I C 2.392 178.580 176.117 0.118 0.000 1.088 376 I CA 1.215 62.581 61.300 0.110 0.000 1.357 376 I CB -0.307 37.754 38.000 0.102 0.000 1.051 376 I HN 0.104 nan 8.210 nan 0.000 0.409 377 K N 1.498 121.994 120.400 0.160 0.000 2.032 377 K HA -0.236 4.085 4.320 0.001 0.000 0.209 377 K C 1.624 178.299 176.600 0.125 0.000 1.048 377 K CA 1.985 58.374 56.287 0.170 0.000 0.927 377 K CB -0.332 32.240 32.500 0.121 0.000 0.712 377 K HN 0.191 nan 8.250 nan 0.000 0.441 378 D N 0.232 120.665 120.400 0.056 0.000 2.104 378 D HA -0.153 4.487 4.640 0.001 0.000 0.194 378 D C 1.836 178.143 176.300 0.012 0.000 0.994 378 D CA 1.707 55.720 54.000 0.023 0.000 0.830 378 D CB -0.560 40.223 40.800 -0.028 0.000 0.959 378 D HN 0.377 nan 8.370 nan 0.000 0.452 379 A N 0.498 123.297 122.820 -0.033 0.000 1.873 379 A HA -0.216 4.105 4.320 0.001 0.000 0.218 379 A C 2.096 179.572 177.584 -0.180 0.000 1.193 379 A CA 1.412 53.365 52.037 -0.140 0.000 0.629 379 A CB -1.153 17.681 19.000 -0.275 0.000 0.826 379 A HN 0.188 nan 8.150 nan 0.000 0.447 380 F N 0.314 120.266 119.950 0.003 0.000 2.293 380 F HA -0.081 4.447 4.527 0.002 0.000 0.300 380 F C 2.043 177.871 175.800 0.047 0.000 1.086 380 F CA 1.181 59.199 58.000 0.030 0.000 1.375 380 F CB -0.385 38.652 39.000 0.061 0.000 1.045 380 F HN 0.199 nan 8.300 nan 0.000 0.516 381 D N 0.051 120.561 120.400 0.184 0.000 2.097 381 D HA -0.122 4.519 4.640 0.001 0.000 0.195 381 D C 2.350 178.702 176.300 0.086 0.000 0.989 381 D CA 1.140 55.211 54.000 0.118 0.000 0.827 381 D CB -0.270 40.579 40.800 0.082 0.000 0.966 381 D HN 0.191 nan 8.370 nan 0.000 0.456 382 R N -0.257 120.277 120.500 0.057 0.000 2.148 382 R HA -0.033 4.307 4.340 0.001 0.000 0.227 382 R C 0.345 176.673 176.300 0.047 0.000 1.103 382 R CA 0.672 56.796 56.100 0.039 0.000 0.983 382 R CB 0.080 30.392 30.300 0.019 0.000 0.874 382 R HN -0.003 nan 8.270 nan 0.000 0.451 383 N N -0.912 117.825 118.700 0.061 0.000 2.827 383 N HA 0.128 4.869 4.740 0.001 0.000 0.240 383 N C -2.551 173.052 175.510 0.154 0.000 1.352 383 N CA -1.648 51.446 53.050 0.073 0.000 0.760 383 N CB 1.504 40.008 38.487 0.028 0.000 1.426 383 N HN -0.260 nan 8.380 nan 0.000 0.561 384 P HA 0.008 nan 4.420 nan 0.000 0.225 384 P C 0.409 177.887 177.300 0.297 0.000 1.148 384 P CA 0.975 64.243 63.100 0.281 0.000 0.779 384 P CB 0.499 32.308 31.700 0.181 0.000 0.780 385 E N -0.965 119.354 120.200 0.197 0.000 2.474 385 E HA 0.079 4.430 4.350 0.001 0.000 0.195 385 E C 0.518 177.201 176.600 0.137 0.000 1.039 385 E CA -0.531 55.963 56.400 0.157 0.000 0.881 385 E CB -0.510 29.252 29.700 0.104 0.000 0.970 385 E HN 0.171 nan 8.360 nan 0.000 0.486 386 L N 2.073 123.381 121.223 0.141 0.000 2.747 386 L HA -0.185 4.156 4.340 0.001 0.000 0.286 386 L C 1.147 178.062 176.870 0.075 0.000 1.216 386 L CA 0.895 55.760 54.840 0.041 0.000 0.930 386 L CB 0.402 42.359 42.059 -0.170 0.000 1.216 386 L HN 0.032 nan 8.230 nan 0.000 0.486 387 Q N 2.763 122.598 119.800 0.059 0.000 2.331 387 Q HA 0.087 4.428 4.340 0.001 0.000 0.203 387 Q C 0.099 176.155 176.000 0.093 0.000 0.944 387 Q CA 0.528 56.381 55.803 0.084 0.000 0.892 387 Q CB 0.252 29.051 28.738 0.100 0.000 0.983 387 Q HN 0.737 nan 8.270 nan 0.000 0.482 388 N N -0.884 117.849 118.700 0.054 0.000 2.516 388 N HA 0.075 4.816 4.740 0.001 0.000 0.268 388 N C -0.120 175.349 175.510 -0.069 0.000 1.096 388 N CA -0.165 52.903 53.050 0.030 0.000 0.954 388 N CB 1.088 39.638 38.487 0.105 0.000 1.676 388 N HN -0.027 nan 8.380 nan 0.000 0.490 389 L N 2.230 123.356 121.223 -0.162 0.000 2.127 389 L HA -0.088 4.252 4.340 0.001 0.000 0.211 389 L C 1.982 178.772 176.870 -0.132 0.000 1.089 389 L CA 1.099 55.740 54.840 -0.332 0.000 0.757 389 L CB -0.085 41.619 42.059 -0.591 0.000 0.899 389 L HN 0.571 nan 8.230 nan 0.000 0.434 390 L N -0.631 120.590 121.223 -0.004 0.000 2.265 390 L HA -0.207 4.134 4.340 0.001 0.000 0.215 390 L C 2.243 179.205 176.870 0.153 0.000 1.117 390 L CA 0.810 55.731 54.840 0.135 0.000 0.782 390 L CB -0.310 41.881 42.059 0.221 0.000 0.914 390 L HN 0.339 nan 8.230 nan 0.000 0.441 391 L N -0.845 120.444 121.223 0.109 0.000 2.395 391 L HA -0.032 4.309 4.340 0.001 0.000 0.218 391 L C 0.667 177.577 176.870 0.066 0.000 1.130 391 L CA 0.093 54.988 54.840 0.091 0.000 0.826 391 L CB -0.450 41.656 42.059 0.077 0.000 0.941 391 L HN 0.222 nan 8.230 nan 0.000 0.451 392 D N -0.191 120.252 120.400 0.071 0.000 2.345 392 D HA -0.041 4.599 4.640 0.001 0.000 0.247 392 D C 0.862 177.244 176.300 0.137 0.000 1.108 392 D CA -0.159 53.900 54.000 0.097 0.000 0.894 392 D CB 1.088 41.965 40.800 0.128 0.000 1.203 392 D HN -0.078 nan 8.370 nan 0.000 0.430 393 D N 2.316 122.770 120.400 0.089 0.000 2.123 393 D HA -0.190 4.451 4.640 0.001 0.000 0.196 393 D C 1.538 177.851 176.300 0.022 0.000 0.992 393 D CA 0.814 54.846 54.000 0.054 0.000 0.833 393 D CB -0.279 40.544 40.800 0.038 0.000 0.954 393 D HN 0.510 nan 8.370 nan 0.000 0.455 394 F N 0.318 120.179 119.950 -0.148 0.000 2.091 394 F HA -0.250 4.278 4.527 0.001 0.000 0.299 394 F C 1.956 177.474 175.800 -0.469 0.000 1.103 394 F CA 1.478 59.269 58.000 -0.349 0.000 1.228 394 F CB -0.284 38.387 39.000 -0.548 0.000 0.984 394 F HN -0.128 nan 8.300 nan 0.000 0.477 395 F N 0.636 120.599 119.950 0.022 0.000 2.234 395 F HA -0.014 4.514 4.527 0.002 0.000 0.296 395 F C 2.472 178.192 175.800 -0.134 0.000 1.089 395 F CA 1.421 59.345 58.000 -0.126 0.000 1.343 395 F CB -0.969 37.976 39.000 -0.092 0.000 1.040 395 F HN -0.113 nan 8.300 nan 0.000 0.498 396 K N 0.419 120.882 120.400 0.105 0.000 2.063 396 K HA -0.165 4.156 4.320 0.001 0.000 0.208 396 K C 2.046 178.644 176.600 -0.004 0.000 1.048 396 K CA 1.973 58.310 56.287 0.084 0.000 0.928 396 K CB -0.314 32.242 32.500 0.093 0.000 0.713 396 K HN 0.152 nan 8.250 nan 0.000 0.442 397 S N 0.815 116.460 115.700 -0.091 0.000 2.368 397 S HA -0.086 4.385 4.470 0.001 0.000 0.224 397 S C 2.132 176.626 174.600 -0.178 0.000 1.029 397 S CA 1.048 59.170 58.200 -0.131 0.000 0.988 397 S CB -0.313 62.784 63.200 -0.172 0.000 0.838 397 S HN 0.550 nan 8.310 nan 0.000 0.462 398 A N 1.308 123.946 122.820 -0.304 0.000 1.883 398 A HA -0.074 4.247 4.320 0.001 0.000 0.217 398 A C 2.356 179.832 177.584 -0.181 0.000 1.186 398 A CA 1.678 53.558 52.037 -0.261 0.000 0.624 398 A CB -1.006 17.750 19.000 -0.406 0.000 0.822 398 A HN 0.340 nan 8.150 nan 0.000 0.444 399 V N 0.007 119.810 119.914 -0.186 0.000 2.427 399 V HA -0.213 3.907 4.120 0.001 0.000 0.248 399 V C 2.610 178.645 176.094 -0.097 0.000 1.051 399 V CA 2.357 64.547 62.300 -0.182 0.000 1.048 399 V CB -0.663 31.070 31.823 -0.149 0.000 0.666 399 V HN 0.708 nan 8.190 nan 0.000 0.456 400 E N 1.091 121.270 120.200 -0.036 0.000 2.077 400 E HA -0.202 4.149 4.350 0.001 0.000 0.193 400 E C 1.921 178.520 176.600 -0.003 0.000 0.989 400 E CA 1.560 57.968 56.400 0.013 0.000 0.800 400 E CB -0.355 29.361 29.700 0.026 0.000 0.746 400 E HN 0.567 nan 8.360 nan 0.000 0.452 401 N N -0.852 117.828 118.700 -0.033 0.000 2.396 401 N HA -0.076 4.665 4.740 0.001 0.000 0.180 401 N C 1.148 176.647 175.510 -0.018 0.000 1.028 401 N CA 0.935 53.968 53.050 -0.028 0.000 0.893 401 N CB -0.249 38.208 38.487 -0.050 0.000 0.967 401 N HN 0.249 nan 8.380 nan 0.000 0.440 402 C N 0.129 119.414 119.300 -0.025 0.000 2.780 402 C HA 0.165 4.626 4.460 0.001 0.000 0.267 402 C C 2.565 177.596 174.990 0.068 0.000 1.266 402 C CA -0.488 58.517 59.018 -0.022 0.000 1.709 402 C CB -0.570 27.108 27.740 -0.103 0.000 1.975 402 C HN 0.464 nan 8.230 nan 0.000 0.582 403 Q N 1.353 121.209 119.800 0.094 0.000 2.077 403 Q HA -0.267 4.074 4.340 0.001 0.000 0.206 403 Q C 1.586 177.679 176.000 0.156 0.000 0.989 403 Q CA 2.127 58.036 55.803 0.178 0.000 0.853 403 Q CB -0.117 28.680 28.738 0.099 0.000 0.907 403 Q HN 0.561 nan 8.270 nan 0.000 0.418 404 D N -0.763 119.692 120.400 0.092 0.000 2.097 404 D HA -0.106 4.535 4.640 0.001 0.000 0.195 404 D C 1.981 178.331 176.300 0.084 0.000 0.989 404 D CA 1.525 55.569 54.000 0.073 0.000 0.827 404 D CB -0.064 40.767 40.800 0.051 0.000 0.966 404 D HN 0.136 nan 8.370 nan 0.000 0.456 405 S N -0.450 115.294 115.700 0.074 0.000 2.368 405 S HA -0.149 4.321 4.470 0.001 0.000 0.225 405 S C 1.602 176.256 174.600 0.090 0.000 1.030 405 S CA 0.698 58.926 58.200 0.046 0.000 0.999 405 S CB -0.365 62.821 63.200 -0.023 0.000 0.844 405 S HN 0.433 nan 8.310 nan 0.000 0.459 406 W N 3.214 124.452 121.300 -0.104 0.000 2.317 406 W HA -0.116 4.545 4.660 0.001 0.000 0.318 406 W C 2.227 178.695 176.519 -0.085 0.000 1.227 406 W CA 1.218 58.491 57.345 -0.121 0.000 1.269 406 W CB -0.783 28.621 29.460 -0.095 0.000 1.155 406 W HN 0.224 nan 8.180 nan 0.000 0.484 407 R N -0.497 120.049 120.500 0.077 0.000 2.096 407 R HA -0.129 4.212 4.340 0.001 0.000 0.235 407 R C 2.395 178.714 176.300 0.033 0.000 1.127 407 R CA 1.477 57.555 56.100 -0.037 0.000 0.968 407 R CB -0.669 29.610 30.300 -0.036 0.000 0.861 407 R HN 0.177 nan 8.270 nan 0.000 0.440 408 R N 0.830 121.381 120.500 0.084 0.000 2.073 408 R HA -0.102 4.239 4.340 0.001 0.000 0.234 408 R C 2.253 178.683 176.300 0.217 0.000 1.134 408 R CA 1.498 57.685 56.100 0.145 0.000 0.952 408 R CB -0.213 30.186 30.300 0.166 0.000 0.850 408 R HN 0.231 nan 8.270 nan 0.000 0.433 409 A N 0.067 122.965 122.820 0.129 0.000 1.877 409 A HA -0.110 4.211 4.320 0.001 0.000 0.216 409 A C 2.251 179.877 177.584 0.071 0.000 1.186 409 A CA 1.559 53.642 52.037 0.076 0.000 0.620 409 A CB -0.579 18.267 19.000 -0.258 0.000 0.822 409 A HN 0.221 nan 8.150 nan 0.000 0.443 410 V N -0.136 119.781 119.914 0.005 0.000 2.295 410 V HA -0.219 3.902 4.120 0.001 0.000 0.246 410 V C 2.814 178.925 176.094 0.029 0.000 1.049 410 V CA 2.335 64.637 62.300 0.003 0.000 1.024 410 V CB -0.824 30.981 31.823 -0.029 0.000 0.648 410 V HN 0.565 nan 8.190 nan 0.000 0.447 411 S N -0.222 115.502 115.700 0.040 0.000 2.370 411 S HA -0.225 4.246 4.470 0.001 0.000 0.226 411 S C 2.061 176.694 174.600 0.055 0.000 1.033 411 S CA 2.089 60.315 58.200 0.043 0.000 1.011 411 S CB -0.448 62.784 63.200 0.054 0.000 0.852 411 S HN 0.707 nan 8.310 nan 0.000 0.457 412 T N 1.377 115.997 114.554 0.110 0.000 2.777 412 T HA -0.016 4.335 4.350 0.001 0.000 0.266 412 T C 2.099 176.777 174.700 -0.037 0.000 1.040 412 T CA 1.227 63.383 62.100 0.094 0.000 1.141 412 T CB -0.861 68.092 68.868 0.141 0.000 0.868 412 T HN 0.535 nan 8.240 nan 0.000 0.444 413 G N 1.190 110.002 108.800 0.020 0.000 2.440 413 G HA2 -0.200 3.761 3.960 0.001 0.000 0.218 413 G HA3 -0.200 3.761 3.960 0.001 0.000 0.218 413 G C 1.702 176.529 174.900 -0.122 0.000 1.154 413 G CA 0.925 45.994 45.100 -0.052 0.000 0.767 413 G HN 0.426 nan 8.290 nan 0.000 0.552 414 V N 0.422 120.295 119.914 -0.068 0.000 2.343 414 V HA -0.183 3.937 4.120 0.001 0.000 0.247 414 V C 3.021 179.042 176.094 -0.121 0.000 1.051 414 V CA 1.918 64.177 62.300 -0.069 0.000 1.036 414 V CB -0.328 31.480 31.823 -0.024 0.000 0.654 414 V HN 0.322 nan 8.190 nan 0.000 0.451 415 Q N -0.179 119.536 119.800 -0.142 0.000 2.124 415 Q HA -0.087 4.254 4.340 0.001 0.000 0.202 415 Q C 2.313 178.021 176.000 -0.488 0.000 0.977 415 Q CA 1.822 57.525 55.803 -0.166 0.000 0.850 415 Q CB -0.560 28.181 28.738 0.006 0.000 0.901 415 Q HN 0.658 nan 8.270 nan 0.000 0.429 416 A N -0.347 121.960 122.820 -0.855 0.000 2.119 416 A HA 0.268 4.589 4.320 0.001 0.000 0.216 416 A C 1.479 178.781 177.584 -0.470 0.000 1.152 416 A CA 1.131 52.477 52.037 -1.152 0.000 0.708 416 A CB -0.187 18.153 19.000 -1.100 0.000 0.805 416 A HN 0.435 nan 8.150 nan 0.000 0.460 417 G N -0.941 107.680 108.800 -0.299 0.000 2.132 417 G HA2 -0.163 3.798 3.960 0.001 0.000 0.228 417 G HA3 -0.163 3.798 3.960 0.001 0.000 0.228 417 G C -0.112 174.693 174.900 -0.159 0.000 1.000 417 G CA 0.087 45.087 45.100 -0.167 0.000 0.693 417 G HN 0.307 nan 8.290 nan 0.000 0.515 418 I N 1.290 121.736 120.570 -0.206 0.000 2.342 418 I HA 0.280 4.451 4.170 0.001 0.000 0.291 418 I C -1.867 174.180 176.117 -0.117 0.000 1.010 418 I CA -2.860 58.284 61.300 -0.260 0.000 1.308 418 I CB 0.724 38.524 38.000 -0.333 0.000 1.400 418 I HN -0.122 nan 8.210 nan 0.000 0.488 419 P HA 0.206 nan 4.420 nan 0.000 0.265 419 P C -0.485 176.879 177.300 0.107 0.000 1.222 419 P CA 0.141 63.271 63.100 0.049 0.000 0.767 419 P CB 0.245 32.006 31.700 0.101 0.000 0.801 420 M N 5.319 124.998 119.600 0.132 0.000 2.952 420 M HA 0.237 4.718 4.480 0.001 0.000 0.259 420 M C -1.965 174.446 176.300 0.185 0.000 1.306 420 M CA -1.552 53.879 55.300 0.218 0.000 0.626 420 M CB 1.823 34.623 32.600 0.333 0.000 1.423 420 M HN 0.105 nan 8.290 nan 0.000 0.459 421 P HA -0.076 nan 4.420 nan 0.000 0.216 421 P C 1.089 178.461 177.300 0.121 0.000 1.150 421 P CA 1.485 64.656 63.100 0.119 0.000 0.837 421 P CB 0.212 31.976 31.700 0.108 0.000 0.786 422 C N -2.772 116.576 119.300 0.080 0.000 2.505 422 C HA 0.062 4.523 4.460 0.001 0.000 0.279 422 C C 2.462 177.525 174.990 0.121 0.000 1.316 422 C CA 0.145 59.188 59.018 0.042 0.000 1.720 422 C CB -1.925 25.773 27.740 -0.070 0.000 2.050 422 C HN 0.096 nan 8.230 nan 0.000 0.493 423 F N 2.260 122.327 119.950 0.196 0.000 2.095 423 F HA -0.171 4.357 4.527 0.001 0.000 0.298 423 F C 2.809 178.771 175.800 0.270 0.000 1.104 423 F CA 2.145 60.318 58.000 0.288 0.000 1.232 423 F CB -1.330 37.826 39.000 0.261 0.000 0.987 423 F HN 0.305 nan 8.300 nan 0.000 0.475 424 T N -4.355 110.409 114.554 0.350 0.000 2.857 424 T HA -0.175 4.176 4.350 0.001 0.000 0.266 424 T C 2.067 176.873 174.700 0.177 0.000 1.048 424 T CA 1.664 63.883 62.100 0.198 0.000 1.139 424 T CB -1.037 67.913 68.868 0.136 0.000 0.874 424 T HN 0.265 nan 8.240 nan 0.000 0.455 425 T N 1.058 115.728 114.554 0.193 0.000 2.821 425 T HA 0.148 4.499 4.350 0.001 0.000 0.267 425 T C 2.230 177.085 174.700 0.258 0.000 1.046 425 T CA 1.385 63.597 62.100 0.187 0.000 1.139 425 T CB -0.871 68.087 68.868 0.149 0.000 0.871 425 T HN 0.545 nan 8.240 nan 0.000 0.454 426 A N 1.089 124.101 122.820 0.321 0.000 1.902 426 A HA 0.063 4.384 4.320 0.001 0.000 0.217 426 A C 2.228 180.148 177.584 0.560 0.000 1.181 426 A CA 1.608 53.928 52.037 0.472 0.000 0.623 426 A CB -0.908 18.429 19.000 0.561 0.000 0.818 426 A HN 0.525 nan 8.150 nan 0.000 0.443 427 L N -0.188 121.211 121.223 0.292 0.000 2.056 427 L HA -0.065 4.275 4.340 0.001 0.000 0.207 427 L C 2.559 179.421 176.870 -0.013 0.000 1.078 427 L CA 2.423 57.083 54.840 -0.300 0.000 0.749 427 L CB -0.642 40.986 42.059 -0.718 0.000 0.901 427 L HN 0.288 nan 8.230 nan 0.000 0.433 428 S N -0.697 115.049 115.700 0.077 0.000 2.370 428 S HA -0.233 4.238 4.470 0.001 0.000 0.226 428 S C 1.814 176.513 174.600 0.164 0.000 1.033 428 S CA 1.745 60.001 58.200 0.093 0.000 1.011 428 S CB -0.675 62.586 63.200 0.101 0.000 0.852 428 S HN 0.566 nan 8.310 nan 0.000 0.457 429 F N 1.139 121.168 119.950 0.131 0.000 2.102 429 F HA -0.140 4.388 4.527 0.001 0.000 0.298 429 F C 2.100 178.030 175.800 0.216 0.000 1.105 429 F CA 1.366 59.461 58.000 0.158 0.000 1.239 429 F CB -0.644 38.450 39.000 0.156 0.000 0.991 429 F HN 0.244 nan 8.300 nan 0.000 0.474 430 Y N 1.322 121.711 120.300 0.149 0.000 2.128 430 Y HA -0.253 4.297 4.550 0.001 0.000 0.284 430 Y C 2.278 178.186 175.900 0.012 0.000 1.154 430 Y CA 2.258 60.412 58.100 0.089 0.000 1.149 430 Y CB -0.794 37.810 38.460 0.241 0.000 0.976 430 Y HN 0.071 nan 8.280 nan 0.000 0.505 431 D N -0.479 119.949 120.400 0.047 0.000 2.178 431 D HA -0.119 4.522 4.640 0.001 0.000 0.202 431 D C 2.274 178.566 176.300 -0.013 0.000 0.974 431 D CA 1.385 55.387 54.000 0.004 0.000 0.841 431 D CB -0.628 40.197 40.800 0.040 0.000 0.953 431 D HN 0.560 nan 8.370 nan 0.000 0.478 432 G N -0.344 108.406 108.800 -0.084 0.000 2.394 432 G HA2 -0.284 3.676 3.960 0.001 0.000 0.214 432 G HA3 -0.284 3.676 3.960 0.001 0.000 0.214 432 G C 1.575 176.407 174.900 -0.114 0.000 1.176 432 G CA 0.272 45.310 45.100 -0.102 0.000 0.786 432 G HN 0.260 nan 8.290 nan 0.000 0.533 433 Y N 2.351 122.400 120.300 -0.419 0.000 2.274 433 Y HA -0.112 4.438 4.550 0.001 0.000 0.290 433 Y C 2.838 178.563 175.900 -0.291 0.000 1.145 433 Y CA 1.805 59.645 58.100 -0.434 0.000 1.203 433 Y CB 0.038 38.053 38.460 -0.741 0.000 0.984 433 Y HN 0.302 nan 8.280 nan 0.000 0.533 434 R N -1.352 118.969 120.500 -0.299 0.000 2.297 434 R HA 0.017 4.358 4.340 0.001 0.000 0.197 434 R C -0.402 175.738 176.300 -0.266 0.000 0.943 434 R CA 0.286 56.180 56.100 -0.344 0.000 1.038 434 R CB -0.665 29.355 30.300 -0.466 0.000 0.957 434 R HN 0.267 nan 8.270 nan 0.000 0.484 435 H N 1.401 120.328 119.070 -0.238 0.000 2.668 435 H HA 0.071 4.628 4.556 0.001 0.000 0.303 435 H C 0.604 175.838 175.328 -0.158 0.000 1.074 435 H CA -0.054 55.895 56.048 -0.165 0.000 1.406 435 H CB 1.755 31.442 29.762 -0.126 0.000 1.442 435 H HN 0.242 nan 8.280 nan 0.000 0.482 436 E N 3.234 123.385 120.200 -0.083 0.000 2.106 436 E HA -0.083 4.267 4.350 0.001 0.000 0.192 436 E C -0.194 176.395 176.600 -0.018 0.000 0.984 436 E CA 0.837 57.194 56.400 -0.071 0.000 0.806 436 E CB 0.338 29.988 29.700 -0.084 0.000 0.750 436 E HN 0.416 nan 8.360 nan 0.000 0.458 437 M N 1.425 121.045 119.600 0.032 0.000 2.294 437 M HA 0.404 4.885 4.480 0.001 0.000 0.335 437 M C -0.620 175.712 176.300 0.053 0.000 1.079 437 M CA -0.509 54.813 55.300 0.037 0.000 0.982 437 M CB 1.634 34.254 32.600 0.033 0.000 1.651 437 M HN -0.010 nan 8.290 nan 0.000 0.437 438 L N 4.314 125.538 121.223 0.002 0.000 2.323 438 L HA 0.544 4.885 4.340 0.001 0.000 0.265 438 L C -1.309 175.540 176.870 -0.035 0.000 1.012 438 L CA -1.544 53.273 54.840 -0.038 0.000 0.820 438 L CB 2.155 44.191 42.059 -0.039 0.000 1.334 438 L HN 0.474 nan 8.230 nan 0.000 0.427 439 P HA 0.009 nan 4.420 nan 0.000 0.252 439 P C 0.806 178.087 177.300 -0.033 0.000 1.265 439 P CA 0.208 63.283 63.100 -0.042 0.000 0.775 439 P CB 0.260 31.929 31.700 -0.051 0.000 1.128 440 A N 1.163 123.969 122.820 -0.022 0.000 2.070 440 A HA -0.150 4.170 4.320 0.001 0.000 0.220 440 A C 2.361 179.938 177.584 -0.012 0.000 1.159 440 A CA 1.772 53.803 52.037 -0.010 0.000 0.656 440 A CB -1.178 17.825 19.000 0.005 0.000 0.800 440 A HN 0.409 nan 8.150 nan 0.000 0.453 441 S N -0.109 115.582 115.700 -0.017 0.000 2.383 441 S HA -0.182 4.289 4.470 0.001 0.000 0.229 441 S C 1.768 176.334 174.600 -0.057 0.000 1.030 441 S CA 1.406 59.591 58.200 -0.025 0.000 1.002 441 S CB -0.594 62.591 63.200 -0.024 0.000 0.829 441 S HN 0.445 nan 8.310 nan 0.000 0.467 442 L N 1.662 122.848 121.223 -0.061 0.000 2.083 442 L HA 0.159 4.500 4.340 0.001 0.000 0.209 442 L C 2.153 178.964 176.870 -0.098 0.000 1.083 442 L CA 1.256 56.041 54.840 -0.092 0.000 0.752 442 L CB -0.798 41.214 42.059 -0.078 0.000 0.899 442 L HN 0.337 nan 8.230 nan 0.000 0.433 443 I N -0.854 119.682 120.570 -0.057 0.000 2.163 443 I HA -0.313 3.858 4.170 0.001 0.000 0.243 443 I C 2.488 178.573 176.117 -0.053 0.000 1.085 443 I CA 0.980 62.257 61.300 -0.039 0.000 1.347 443 I CB -0.288 37.706 38.000 -0.010 0.000 1.044 443 I HN 0.364 nan 8.210 nan 0.000 0.408 444 Q N 0.355 120.137 119.800 -0.031 0.000 2.096 444 Q HA -0.202 4.139 4.340 0.001 0.000 0.204 444 Q C 2.412 178.385 176.000 -0.044 0.000 0.982 444 Q CA 1.943 57.752 55.803 0.010 0.000 0.850 444 Q CB -0.529 28.252 28.738 0.071 0.000 0.901 444 Q HN 0.594 nan 8.270 nan 0.000 0.422 445 A N 0.928 123.653 122.820 -0.159 0.000 1.898 445 A HA -0.214 4.106 4.320 0.001 0.000 0.216 445 A C 2.103 179.398 177.584 -0.482 0.000 1.181 445 A CA 1.431 53.266 52.037 -0.337 0.000 0.620 445 A CB -0.428 18.320 19.000 -0.421 0.000 0.819 445 A HN 0.414 nan 8.150 nan 0.000 0.442 446 Q N -0.564 119.032 119.800 -0.340 0.000 2.050 446 Q HA -0.152 4.188 4.340 0.001 0.000 0.202 446 Q C 2.335 178.036 176.000 -0.499 0.000 0.980 446 Q CA 1.516 57.143 55.803 -0.293 0.000 0.840 446 Q CB -0.215 28.480 28.738 -0.072 0.000 0.898 446 Q HN 0.612 nan 8.270 nan 0.000 0.424 447 R N 0.556 120.774 120.500 -0.470 0.000 2.081 447 R HA -0.154 4.187 4.340 0.001 0.000 0.235 447 R C 1.842 177.930 176.300 -0.353 0.000 1.131 447 R CA 1.555 57.273 56.100 -0.638 0.000 0.960 447 R CB -0.203 29.982 30.300 -0.191 0.000 0.856 447 R HN 0.254 nan 8.270 nan 0.000 0.436 448 D N -0.331 120.037 120.400 -0.054 0.000 2.178 448 D HA -0.174 4.467 4.640 0.001 0.000 0.202 448 D C 1.617 178.046 176.300 0.214 0.000 0.974 448 D CA 0.757 54.897 54.000 0.233 0.000 0.841 448 D CB 0.030 41.210 40.800 0.633 0.000 0.953 448 D HN 0.170 nan 8.370 nan 0.000 0.478 449 Y N 0.113 120.242 120.300 -0.285 0.000 2.163 449 Y HA -0.131 4.420 4.550 0.001 0.000 0.288 449 Y C 1.739 177.647 175.900 0.013 0.000 1.136 449 Y CA 1.927 59.860 58.100 -0.279 0.000 1.147 449 Y CB -0.562 37.495 38.460 -0.672 0.000 0.987 449 Y HN 0.123 nan 8.280 nan 0.000 0.509 450 F N -2.028 118.100 119.950 0.296 0.000 2.530 450 F HA 0.429 4.957 4.527 0.001 0.000 0.292 450 F C 1.876 177.728 175.800 0.087 0.000 1.109 450 F CA 0.809 58.936 58.000 0.212 0.000 1.450 450 F CB -0.790 38.320 39.000 0.184 0.000 1.114 450 F HN -0.100 nan 8.300 nan 0.000 0.560 451 G N -0.858 107.877 108.800 -0.109 0.000 3.274 451 G HA2 0.401 4.362 3.960 0.001 0.000 0.250 451 G HA3 0.401 4.362 3.960 0.001 0.000 0.250 451 G C 0.906 175.465 174.900 -0.568 0.000 1.024 451 G CA 0.000 44.939 45.100 -0.268 0.000 0.840 451 G HN 0.842 nan 8.290 nan 0.000 0.522 452 A N 0.662 123.319 122.820 -0.272 0.000 2.822 452 A HA -0.225 4.096 4.320 0.001 0.000 0.287 452 A C 1.220 178.651 177.584 -0.255 0.000 1.479 452 A CA 1.084 52.973 52.037 -0.246 0.000 0.779 452 A CB -2.454 16.240 19.000 -0.511 0.000 1.022 452 A HN 0.557 nan 8.150 nan 0.000 0.532 453 H N 0.298 119.363 119.070 -0.007 0.000 2.555 453 H HA 0.113 4.670 4.556 0.001 0.000 0.269 453 H C 1.409 176.762 175.328 0.042 0.000 0.988 453 H CA 2.161 58.185 56.048 -0.040 0.000 1.178 453 H CB -0.237 29.468 29.762 -0.095 0.000 1.373 453 H HN 1.654 nan 8.280 nan 0.000 0.588 454 T N -1.183 113.533 114.554 0.270 0.000 0.541 454 T HA -0.200 4.151 4.350 0.001 0.000 0.774 454 T C -0.599 174.370 174.700 0.449 0.000 0.992 454 T CA 0.515 62.800 62.100 0.308 0.000 4.077 454 T CB -1.382 67.609 68.868 0.206 0.000 2.303 454 T HN 0.599 nan 8.240 nan 0.000 0.398 455 Y N -0.693 119.832 120.300 0.375 0.000 2.689 455 Y HA 0.845 5.396 4.550 0.002 0.000 0.333 455 Y C -0.535 175.395 175.900 0.051 0.000 1.190 455 Y CA -0.834 57.432 58.100 0.276 0.000 1.063 455 Y CB 1.072 39.652 38.460 0.200 0.000 1.294 455 Y HN 1.115 nan 8.280 nan 0.000 0.466 456 E N 1.609 121.860 120.200 0.086 0.000 2.299 456 E HA 0.619 4.969 4.350 0.001 0.000 0.265 456 E C -1.585 175.078 176.600 0.104 0.000 0.911 456 E CA -1.085 55.203 56.400 -0.188 0.000 0.789 456 E CB 2.800 32.191 29.700 -0.515 0.000 1.246 456 E HN 0.661 nan 8.360 nan 0.000 0.427 457 L N 2.239 123.473 121.223 0.019 0.000 2.350 457 L HA 0.187 4.528 4.340 0.001 0.000 0.275 457 L C 1.608 178.480 176.870 0.004 0.000 1.099 457 L CA -0.499 54.379 54.840 0.064 0.000 0.808 457 L CB 0.618 42.700 42.059 0.037 0.000 1.149 457 L HN 0.629 nan 8.230 nan 0.000 0.442 458 L N 2.269 123.501 121.223 0.015 0.000 2.021 458 L HA -0.296 4.045 4.340 0.001 0.000 0.215 458 L C 2.474 179.334 176.870 -0.016 0.000 1.074 458 L CA 1.854 56.692 54.840 -0.004 0.000 0.760 458 L CB -0.347 41.712 42.059 -0.000 0.000 0.889 458 L HN 0.919 nan 8.230 nan 0.000 0.433 459 A N -0.816 121.996 122.820 -0.012 0.000 2.168 459 A HA -0.144 4.177 4.320 0.001 0.000 0.215 459 A C 1.363 178.931 177.584 -0.027 0.000 1.152 459 A CA 1.092 53.118 52.037 -0.017 0.000 0.716 459 A CB -0.127 18.866 19.000 -0.012 0.000 0.794 459 A HN 0.286 nan 8.150 nan 0.000 0.465 460 K N -0.001 120.375 120.400 -0.041 0.000 3.050 460 K HA 0.334 4.655 4.320 0.001 0.000 0.185 460 K C -3.274 173.270 176.600 -0.093 0.000 1.147 460 K CA -1.630 54.623 56.287 -0.056 0.000 0.916 460 K CB 0.895 33.362 32.500 -0.055 0.000 1.119 460 K HN -0.033 nan 8.250 nan 0.000 0.605 461 P HA 0.214 nan 4.420 nan 0.000 0.269 461 P C 0.672 177.891 177.300 -0.135 0.000 1.209 461 P CA 0.770 63.795 63.100 -0.125 0.000 0.776 461 P CB 1.171 32.830 31.700 -0.068 0.000 0.876 462 G N 0.793 109.457 108.800 -0.228 0.000 2.258 462 G HA2 -0.238 3.722 3.960 0.001 0.000 0.233 462 G HA3 -0.238 3.722 3.960 0.001 0.000 0.233 462 G C 0.149 174.975 174.900 -0.125 0.000 1.006 462 G CA -0.092 44.940 45.100 -0.113 0.000 0.620 462 G HN 0.679 nan 8.290 nan 0.000 0.511 463 Q N 0.328 119.988 119.800 -0.233 0.000 2.340 463 Q HA 0.657 4.998 4.340 0.001 0.000 0.259 463 Q C -0.948 174.877 176.000 -0.291 0.000 0.964 463 Q CA -0.794 54.926 55.803 -0.139 0.000 0.900 463 Q CB 0.323 29.005 28.738 -0.093 0.000 1.228 463 Q HN 0.186 nan 8.270 nan 0.000 0.449 464 F N 3.998 123.915 119.950 -0.055 0.000 2.404 464 F HA 0.493 5.021 4.527 0.001 0.000 0.339 464 F C 0.044 175.747 175.800 -0.161 0.000 1.105 464 F CA -0.464 57.479 58.000 -0.096 0.000 1.087 464 F CB 1.030 40.007 39.000 -0.039 0.000 1.143 464 F HN 0.415 nan 8.300 nan 0.000 0.491 465 I N 1.984 122.445 120.570 -0.182 0.000 2.689 465 I HA 0.302 4.472 4.170 0.001 0.000 0.299 465 I C -1.071 174.890 176.117 -0.261 0.000 1.059 465 I CA -0.852 60.259 61.300 -0.315 0.000 1.055 465 I CB 2.188 39.822 38.000 -0.611 0.000 1.243 465 I HN 0.517 nan 8.210 nan 0.000 0.425 466 H N 3.035 122.006 119.070 -0.166 0.000 2.481 466 H HA 0.553 5.110 4.556 0.002 0.000 0.333 466 H C -1.170 174.126 175.328 -0.053 0.000 1.066 466 H CA -0.220 55.804 56.048 -0.039 0.000 1.209 466 H CB 1.508 31.272 29.762 0.003 0.000 1.445 466 H HN 0.522 nan 8.280 nan 0.000 0.488 467 T N 4.465 118.646 114.554 -0.622 0.000 2.859 467 T HA 0.096 4.447 4.350 0.001 0.000 0.281 467 T C 0.259 174.410 174.700 -0.916 0.000 1.005 467 T CA -0.849 60.806 62.100 -0.740 0.000 1.025 467 T CB 0.514 68.858 68.868 -0.874 0.000 0.977 467 T HN 0.598 nan 8.240 nan 0.000 0.458 468 N N 2.069 120.419 118.700 -0.583 0.000 3.050 468 N HA 0.068 4.809 4.740 0.001 0.000 0.289 468 N C 0.570 175.915 175.510 -0.275 0.000 1.209 468 N CA -0.473 52.380 53.050 -0.328 0.000 1.154 468 N CB -0.271 38.099 38.487 -0.195 0.000 1.444 468 N HN 0.654 nan 8.380 nan 0.000 0.529 469 W N 0.383 121.533 121.300 -0.250 0.000 2.318 469 W HA -0.221 4.440 4.660 0.001 0.000 0.313 469 W C 2.459 178.855 176.519 -0.205 0.000 1.221 469 W CA 1.818 59.037 57.345 -0.209 0.000 1.266 469 W CB -0.632 28.639 29.460 -0.314 0.000 1.150 469 W HN 0.441 nan 8.180 nan 0.000 0.496 470 T N -3.546 110.963 114.554 -0.076 0.000 3.067 470 T HA 0.286 4.637 4.350 0.001 0.000 0.261 470 T C 1.813 176.411 174.700 -0.169 0.000 1.110 470 T CA 0.924 63.006 62.100 -0.030 0.000 1.113 470 T CB -0.312 68.567 68.868 0.019 0.000 0.917 470 T HN 0.476 nan 8.240 nan 0.000 0.499 471 G N 1.005 109.662 108.800 -0.237 0.000 2.176 471 G HA2 -0.273 3.688 3.960 0.001 0.000 0.253 471 G HA3 -0.273 3.688 3.960 0.001 0.000 0.253 471 G C 0.429 175.011 174.900 -0.529 0.000 0.979 471 G CA 0.491 45.348 45.100 -0.405 0.000 0.641 471 G HN 0.721 nan 8.290 nan 0.000 0.530 472 H N -0.213 118.856 119.070 -0.002 0.000 3.233 472 H HA 0.470 5.027 4.556 0.001 0.000 0.263 472 H C 1.664 176.999 175.328 0.011 0.000 1.168 472 H CA 0.056 56.108 56.048 0.007 0.000 1.159 472 H CB 0.794 30.564 29.762 0.014 0.000 1.593 472 H HN 0.532 nan 8.280 nan 0.000 0.580 473 G N 0.040 108.885 108.800 0.076 0.000 2.580 473 G HA2 0.432 4.393 3.960 0.001 0.000 0.278 473 G HA3 0.432 4.393 3.960 0.001 0.000 0.278 473 G C 0.571 175.515 174.900 0.073 0.000 1.212 473 G CA -0.070 45.079 45.100 0.081 0.000 0.939 473 G HN 0.284 nan 8.290 nan 0.000 0.513 474 G N -2.008 106.839 108.800 0.078 0.000 2.525 474 G HA2 0.411 4.372 3.960 0.001 0.000 0.287 474 G HA3 0.411 4.372 3.960 0.001 0.000 0.287 474 G C 1.091 176.041 174.900 0.084 0.000 1.350 474 G CA 0.692 45.827 45.100 0.059 0.000 1.039 474 G HN 0.962 nan 8.290 nan 0.000 0.513 475 T N -3.494 111.093 114.554 0.055 0.000 3.015 475 T HA 0.117 4.468 4.350 0.001 0.000 0.250 475 T C 0.811 175.530 174.700 0.032 0.000 1.057 475 T CA 0.033 62.176 62.100 0.072 0.000 1.066 475 T CB 0.007 68.900 68.868 0.041 0.000 0.959 475 T HN 0.187 nan 8.240 nan 0.000 0.488 476 V N 4.136 124.044 119.914 -0.010 0.000 2.446 476 V HA 0.439 4.560 4.120 0.001 0.000 0.276 476 V C 0.809 176.823 176.094 -0.134 0.000 1.030 476 V CA -0.169 62.102 62.300 -0.049 0.000 1.033 476 V CB 0.147 31.951 31.823 -0.031 0.000 0.993 476 V HN 0.764 nan 8.190 nan 0.000 0.477 477 S N 3.882 119.476 115.700 -0.177 0.000 2.768 477 S HA 0.632 5.103 4.470 0.001 0.000 0.300 477 S C 0.121 174.617 174.600 -0.174 0.000 1.122 477 S CA -0.472 57.539 58.200 -0.315 0.000 0.995 477 S CB 1.744 64.694 63.200 -0.416 0.000 1.195 477 S HN 0.640 nan 8.310 nan 0.000 0.547 478 S N 0.316 115.904 115.700 -0.187 0.000 2.645 478 S HA 0.534 5.005 4.470 0.001 0.000 0.266 478 S C 0.220 174.811 174.600 -0.015 0.000 1.258 478 S CA -0.493 57.660 58.200 -0.079 0.000 0.990 478 S CB -0.035 63.090 63.200 -0.125 0.000 0.967 478 S HN 0.983 nan 8.310 nan 0.000 0.556 479 S N 1.938 117.691 115.700 0.087 0.000 2.617 479 S HA 0.439 4.910 4.470 0.001 0.000 0.269 479 S C -0.471 174.169 174.600 0.067 0.000 1.292 479 S CA -0.910 57.355 58.200 0.109 0.000 1.010 479 S CB 0.946 64.250 63.200 0.173 0.000 0.944 479 S HN 0.638 nan 8.310 nan 0.000 0.536 480 S N 2.148 117.812 115.700 -0.060 0.000 2.410 480 S HA 0.585 5.055 4.470 0.001 0.000 0.304 480 S C -0.732 173.777 174.600 -0.151 0.000 1.095 480 S CA -0.755 57.265 58.200 -0.300 0.000 1.089 480 S CB -0.791 61.918 63.200 -0.818 0.000 0.968 480 S HN 0.793 nan 8.310 nan 0.000 0.480 481 Y N -0.145 120.049 120.300 -0.178 0.000 2.624 481 Y HA 0.642 5.193 4.550 0.003 0.000 0.334 481 Y C -1.272 174.583 175.900 -0.075 0.000 1.155 481 Y CA -1.346 56.682 58.100 -0.119 0.000 1.046 481 Y CB 0.813 39.229 38.460 -0.073 0.000 1.316 481 Y HN 0.334 nan 8.280 nan 0.000 0.457 482 N N 0.965 119.720 118.700 0.092 0.000 2.404 482 N HA 0.883 5.624 4.740 0.001 0.000 0.297 482 N C -1.076 174.523 175.510 0.149 0.000 1.163 482 N CA -0.225 52.847 53.050 0.037 0.000 0.864 482 N CB 2.122 40.624 38.487 0.025 0.000 1.247 482 N HN 1.081 nan 8.380 nan 0.000 0.510 483 A N 0.000 122.872 122.820 0.087 0.000 2.254 483 A HA 0.000 4.321 4.320 0.001 0.000 0.244 483 A CA 0.000 52.096 52.037 0.099 0.000 0.836 483 A CB 0.000 19.107 19.000 0.178 0.000 0.831 483 A HN 0.000 nan 8.150 nan 0.000 0.486