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 2ijz_1_G DATA FIRST_RESID 9 DATA SEQUENCE LIDFLKASPT PFHATASLAR RLEAAGYRRL DEXXXXXXXX GGRYYVTRND DATA SEQUENCE SSLIAIRLGX XSPLESGFRL VGAHTDSPCL RVKPNPEIAR NGFLQLGVEV DATA SEQUENCE YGGALFAPWF DRDLSLAGRV TFRANGKLES RLVDFRKAIA VIPNLNXXXX DATA SEQUENCE XXXXXXXPIN AQNELPPIIA QLAPGEXXXX XXXXXXXXXX XXXXTADVVL DATA SEQUENCE DYELSFYDTQ SAAVVGLNDE FIAGARLDNL LSCHAGLEAL LNAEGDENCI DATA SEQUENCE LVCTDHEEVG SCSHCGADGP FLEQVLRRLL PEGDAFSRAI QRSLLVSADN DATA SEQUENCE AHGVHPNYAD RHDANHGPAL NGGPVIKINS NQRYATNSET AGFFRHLCQD DATA SEQUENCE SEVPVQSFVT RSDMGCGSTI GPITASQVGV RTVDIGLPTF AMHSIRELAG DATA SEQUENCE SHDLAHLVKV LGAFYASS 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 9 L HA 0.000 nan 4.340 nan 0.000 0.249 9 L C 0.000 176.716 176.870 -0.256 0.000 1.165 9 L CA 0.000 54.438 54.840 -0.670 0.000 0.813 9 L CB 0.000 nan 42.059 nan 0.000 0.961 10 I N 1.737 122.208 120.570 -0.165 0.000 2.315 10 I HA 0.693 4.864 4.170 0.001 0.000 0.291 10 I C -0.388 175.719 176.117 -0.016 0.000 1.006 10 I CA -0.189 61.078 61.300 -0.056 0.000 1.265 10 I CB 1.012 39.007 38.000 -0.009 0.000 1.387 10 I HN 0.542 nan 8.210 nan 0.000 0.475 11 D N 7.145 127.554 120.400 0.015 0.000 3.032 11 D HA 0.091 4.732 4.640 0.001 0.000 0.241 11 D C 0.108 176.483 176.300 0.125 0.000 1.196 11 D CA 0.649 54.672 54.000 0.037 0.000 0.927 11 D CB -0.160 40.657 40.800 0.028 0.000 1.129 11 D HN 0.601 nan 8.370 nan 0.000 0.458 12 F N -0.043 119.876 119.950 -0.051 0.000 2.570 12 F HA 0.174 4.702 4.527 0.001 0.000 0.290 12 F C 1.238 177.009 175.800 -0.049 0.000 0.910 12 F CA -0.147 57.828 58.000 -0.043 0.000 1.119 12 F CB 0.126 39.102 39.000 -0.040 0.000 0.922 12 F HN 0.046 nan 8.300 nan 0.000 0.703 13 L N -0.200 120.995 121.223 -0.047 0.000 2.509 13 L HA 0.239 4.579 4.340 0.001 0.000 0.222 13 L C 1.804 178.587 176.870 -0.145 0.000 1.123 13 L CA 1.004 55.755 54.840 -0.148 0.000 0.856 13 L CB -0.383 41.648 42.059 -0.047 0.000 0.985 13 L HN 0.076 nan 8.230 nan 0.000 0.456 14 K N 1.595 121.936 120.400 -0.099 0.000 2.305 14 K HA 0.170 4.490 4.320 0.001 0.000 0.199 14 K C 1.590 178.144 176.600 -0.077 0.000 1.047 14 K CA 1.114 57.356 56.287 -0.075 0.000 0.976 14 K CB -0.031 32.439 32.500 -0.049 0.000 0.765 14 K HN 0.390 nan 8.250 nan 0.000 0.474 15 A N -0.266 122.486 122.820 -0.114 0.000 2.411 15 A HA 0.202 4.523 4.320 0.001 0.000 0.251 15 A C 1.059 178.533 177.584 -0.183 0.000 1.317 15 A CA 0.158 52.125 52.037 -0.117 0.000 0.904 15 A CB -0.169 18.773 19.000 -0.097 0.000 0.993 15 A HN 0.245 nan 8.150 nan 0.000 0.504 16 S N 0.412 115.992 115.700 -0.201 0.000 2.641 16 S HA 0.078 4.549 4.470 0.001 0.000 0.239 16 S C -0.793 173.716 174.600 -0.152 0.000 1.081 16 S CA 0.576 58.647 58.200 -0.214 0.000 0.904 16 S CB -0.334 62.696 63.200 -0.283 0.000 0.803 16 S HN 0.541 nan 8.310 nan 0.000 0.510 17 P HA 0.078 nan 4.420 nan 0.000 0.229 17 P C 0.959 178.158 177.300 -0.168 0.000 1.160 17 P CA 1.067 64.039 63.100 -0.213 0.000 0.777 17 P CB -0.289 31.269 31.700 -0.235 0.000 0.814 18 T N 1.389 115.935 114.554 -0.014 0.000 2.643 18 T HA -0.042 4.309 4.350 0.001 0.000 0.264 18 T C -0.644 174.085 174.700 0.049 0.000 1.045 18 T CA 2.274 64.420 62.100 0.076 0.000 1.155 18 T CB -1.796 67.101 68.868 0.048 0.000 0.863 18 T HN 0.251 nan 8.240 nan 0.000 0.420 19 P HA 0.049 nan 4.420 nan 0.000 0.223 19 P C 1.125 178.432 177.300 0.012 0.000 1.151 19 P CA 0.454 63.557 63.100 0.004 0.000 0.787 19 P CB -0.137 31.554 31.700 -0.015 0.000 0.788 20 F N 0.418 120.274 119.950 -0.158 0.000 2.084 20 F HA -0.184 4.343 4.527 0.001 0.000 0.296 20 F C 2.176 177.893 175.800 -0.138 0.000 1.111 20 F CA 1.765 59.649 58.000 -0.192 0.000 1.224 20 F CB -0.964 37.862 39.000 -0.290 0.000 0.991 20 F HN -0.010 nan 8.300 nan 0.000 0.471 21 H N -0.566 118.443 119.070 -0.102 0.000 2.422 21 H HA -0.071 4.486 4.556 0.002 0.000 0.298 21 H C 2.313 177.531 175.328 -0.185 0.000 1.098 21 H CA 0.915 56.853 56.048 -0.184 0.000 1.315 21 H CB -0.263 29.482 29.762 -0.028 0.000 1.382 21 H HN 0.387 nan 8.280 nan 0.000 0.523 22 A N 0.370 123.183 122.820 -0.011 0.000 1.930 22 A HA -0.175 4.146 4.320 0.001 0.000 0.217 22 A C 2.475 180.002 177.584 -0.096 0.000 1.175 22 A CA 1.853 53.867 52.037 -0.037 0.000 0.627 22 A CB -0.790 18.201 19.000 -0.014 0.000 0.815 22 A HN 0.567 nan 8.150 nan 0.000 0.443 23 T N -2.850 111.613 114.554 -0.153 0.000 2.978 23 T HA 0.332 4.683 4.350 0.001 0.000 0.262 23 T C 1.266 175.799 174.700 -0.279 0.000 1.063 23 T CA 0.853 62.843 62.100 -0.182 0.000 1.140 23 T CB -0.284 68.489 68.868 -0.159 0.000 0.886 23 T HN 0.584 nan 8.240 nan 0.000 0.470 24 A N 2.221 124.760 122.820 -0.469 0.000 3.197 24 A HA 0.528 4.848 4.320 0.001 0.000 0.263 24 A C 1.999 179.421 177.584 -0.270 0.000 1.524 24 A CA 0.137 51.855 52.037 -0.532 0.000 1.176 24 A CB -0.883 17.406 19.000 -1.184 0.000 1.096 24 A HN 0.579 nan 8.150 nan 0.000 0.655 25 S N -0.558 115.032 115.700 -0.183 0.000 2.399 25 S HA 0.019 4.490 4.470 0.001 0.000 0.231 25 S C 0.644 175.176 174.600 -0.114 0.000 1.022 25 S CA 0.938 59.064 58.200 -0.123 0.000 0.983 25 S CB -0.303 62.832 63.200 -0.109 0.000 0.803 25 S HN 0.497 nan 8.310 nan 0.000 0.480 26 L N -1.089 120.063 121.223 -0.118 0.000 2.161 26 L HA 0.826 5.167 4.340 0.001 0.000 0.248 26 L C 1.274 178.112 176.870 -0.054 0.000 1.088 26 L CA 0.015 54.800 54.840 -0.092 0.000 0.987 26 L CB 0.527 42.513 42.059 -0.121 0.000 1.563 26 L HN -0.033 nan 8.230 nan 0.000 0.472 27 A N -0.006 122.806 122.820 -0.015 0.000 1.898 27 A HA -0.100 4.221 4.320 0.001 0.000 0.216 27 A C 1.873 179.480 177.584 0.038 0.000 1.181 27 A CA 1.782 53.842 52.037 0.038 0.000 0.620 27 A CB -0.580 18.467 19.000 0.078 0.000 0.819 27 A HN 0.734 nan 8.150 nan 0.000 0.442 28 R N -1.799 118.717 120.500 0.027 0.000 2.210 28 R HA 0.137 4.478 4.340 0.001 0.000 0.203 28 R C 1.659 177.966 176.300 0.012 0.000 1.010 28 R CA 0.388 56.513 56.100 0.041 0.000 1.008 28 R CB -0.163 30.169 30.300 0.053 0.000 0.923 28 R HN 0.177 nan 8.270 nan 0.000 0.469 29 R N 1.057 121.533 120.500 -0.040 0.000 2.153 29 R HA 0.050 4.391 4.340 0.001 0.000 0.218 29 R C 2.100 178.317 176.300 -0.138 0.000 1.072 29 R CA 0.561 56.610 56.100 -0.085 0.000 0.990 29 R CB -0.527 29.706 30.300 -0.112 0.000 0.889 29 R HN 0.314 nan 8.270 nan 0.000 0.452 30 L N 0.977 122.126 121.223 -0.123 0.000 2.072 30 L HA -0.136 4.204 4.340 0.001 0.000 0.205 30 L C 2.338 179.205 176.870 -0.006 0.000 1.079 30 L CA 1.409 56.163 54.840 -0.144 0.000 0.752 30 L CB -0.111 41.916 42.059 -0.053 0.000 0.906 30 L HN 0.039 nan 8.230 nan 0.000 0.436 31 E N 0.010 120.235 120.200 0.041 0.000 2.077 31 E HA -0.231 4.120 4.350 0.001 0.000 0.193 31 E C 2.024 178.686 176.600 0.103 0.000 0.989 31 E CA 1.557 58.025 56.400 0.113 0.000 0.800 31 E CB -0.136 29.649 29.700 0.142 0.000 0.746 31 E HN 0.551 nan 8.360 nan 0.000 0.452 32 A N 0.586 123.407 122.820 0.003 0.000 1.873 32 A HA -0.027 4.294 4.320 0.001 0.000 0.215 32 A C 2.376 179.683 177.584 -0.461 0.000 1.186 32 A CA 1.863 53.767 52.037 -0.222 0.000 0.616 32 A CB -0.890 18.053 19.000 -0.095 0.000 0.823 32 A HN 0.372 nan 8.150 nan 0.000 0.442 33 A N -0.684 122.000 122.820 -0.228 0.000 2.119 33 A HA 0.272 4.593 4.320 0.001 0.000 0.217 33 A C 2.188 179.782 177.584 0.017 0.000 1.153 33 A CA 1.493 53.448 52.037 -0.136 0.000 0.692 33 A CB -0.975 17.926 19.000 -0.164 0.000 0.799 33 A HN 0.620 nan 8.150 nan 0.000 0.458 34 G N -0.140 108.671 108.800 0.019 0.000 2.424 34 G HA2 -0.186 3.775 3.960 0.001 0.000 0.214 34 G HA3 -0.186 3.775 3.960 0.001 0.000 0.214 34 G C 1.481 176.327 174.900 -0.090 0.000 1.202 34 G CA 1.177 46.309 45.100 0.053 0.000 0.793 34 G HN 0.823 nan 8.290 nan 0.000 0.534 35 Y N 0.042 120.250 120.300 -0.155 0.000 2.457 35 Y HA 0.306 4.857 4.550 0.001 0.000 0.292 35 Y C 2.661 178.459 175.900 -0.170 0.000 1.125 35 Y CA 0.496 58.387 58.100 -0.349 0.000 1.254 35 Y CB -0.158 38.008 38.460 -0.490 0.000 1.012 35 Y HN -0.007 nan 8.280 nan 0.000 0.555 36 R N 0.455 120.691 120.500 -0.439 0.000 2.120 36 R HA -0.088 4.253 4.340 0.001 0.000 0.234 36 R C 2.388 178.635 176.300 -0.088 0.000 1.123 36 R CA 1.420 57.376 56.100 -0.240 0.000 0.975 36 R CB -0.173 29.949 30.300 -0.298 0.000 0.866 36 R HN 0.379 nan 8.270 nan 0.000 0.446 37 R N 0.459 120.904 120.500 -0.091 0.000 2.128 37 R HA 0.035 4.375 4.340 0.001 0.000 0.211 37 R C 0.474 176.741 176.300 -0.055 0.000 1.067 37 R CA 0.193 56.256 56.100 -0.061 0.000 1.010 37 R CB 0.078 30.333 30.300 -0.074 0.000 0.922 37 R HN 0.036 nan 8.270 nan 0.000 0.457 38 L N 3.923 125.096 121.223 -0.083 0.000 2.376 38 L HA 0.090 4.431 4.340 0.001 0.000 0.250 38 L C -1.558 175.285 176.870 -0.045 0.000 1.335 38 L CA 0.440 55.227 54.840 -0.089 0.000 1.214 38 L CB -0.225 41.745 42.059 -0.148 0.000 1.395 38 L HN 0.165 nan 8.230 nan 0.000 0.424 39 D N 2.548 122.963 120.400 0.024 0.000 2.688 39 D HA 0.225 4.865 4.640 0.001 0.000 0.210 39 D C -0.732 175.602 176.300 0.057 0.000 1.333 39 D CA -0.503 53.556 54.000 0.098 0.000 0.920 39 D CB 0.952 41.859 40.800 0.179 0.000 1.554 39 D HN 0.090 nan 8.370 nan 0.000 0.579 50 G N 0.187 108.908 108.800 -0.132 0.000 2.522 50 G HA2 0.653 4.614 3.960 0.001 0.000 0.304 50 G HA3 0.653 4.614 3.960 0.001 0.000 0.304 50 G C 0.291 174.918 174.900 -0.455 0.000 1.210 50 G CA -0.836 43.992 45.100 -0.453 0.000 0.960 50 G HN 0.713 nan 8.290 nan 0.000 0.497 51 R N -1.347 118.714 120.500 -0.731 0.000 2.522 51 R HA 0.229 4.570 4.340 0.001 0.000 0.418 51 R C -1.199 174.976 176.300 -0.208 0.000 0.973 51 R CA -0.844 55.061 56.100 -0.325 0.000 1.096 51 R CB -1.234 28.957 30.300 -0.181 0.000 1.449 51 R HN 0.402 nan 8.270 nan 0.000 0.622 52 Y N 1.083 121.429 120.300 0.076 0.000 2.299 52 Y HA 0.478 5.029 4.550 0.001 0.000 0.335 52 Y C 0.499 176.481 175.900 0.137 0.000 1.287 52 Y CA -0.746 57.378 58.100 0.040 0.000 1.424 52 Y CB 0.411 38.855 38.460 -0.026 0.000 1.326 52 Y HN 0.256 nan 8.280 nan 0.000 0.567 53 Y N -2.688 117.727 120.300 0.191 0.000 2.534 53 Y HA 0.778 5.329 4.550 0.001 0.000 0.345 53 Y C -1.856 174.088 175.900 0.073 0.000 1.031 53 Y CA -1.855 56.315 58.100 0.117 0.000 1.022 53 Y CB 0.656 39.173 38.460 0.095 0.000 1.292 53 Y HN 0.327 nan 8.280 nan 0.000 0.459 54 V N 2.241 122.279 119.914 0.207 0.000 2.513 54 V HA 0.436 4.557 4.120 0.001 0.000 0.299 54 V C -0.053 176.137 176.094 0.159 0.000 1.035 54 V CA -0.168 62.190 62.300 0.096 0.000 0.889 54 V CB 1.545 33.399 31.823 0.053 0.000 0.988 54 V HN 1.097 nan 8.190 nan 0.000 0.440 55 T N 1.533 116.144 114.554 0.095 0.000 3.026 55 T HA 0.170 4.520 4.350 0.001 0.000 0.245 55 T C 1.430 176.155 174.700 0.042 0.000 1.004 55 T CA 0.490 62.646 62.100 0.094 0.000 1.069 55 T CB 0.154 69.059 68.868 0.062 0.000 1.005 55 T HN 0.680 nan 8.240 nan 0.000 0.472 56 R N 0.956 121.460 120.500 0.006 0.000 3.596 56 R HA -0.322 4.019 4.340 0.001 0.000 0.259 56 R C 1.140 177.428 176.300 -0.020 0.000 0.674 56 R CA 2.211 58.301 56.100 -0.016 0.000 1.213 56 R CB -1.546 28.742 30.300 -0.020 0.000 0.823 56 R HN 0.423 nan 8.270 nan 0.000 0.604 57 N N 1.174 119.865 118.700 -0.015 0.000 2.398 57 N HA -0.072 4.669 4.740 0.001 0.000 0.188 57 N C -0.695 174.808 175.510 -0.012 0.000 1.122 57 N CA 1.081 54.114 53.050 -0.029 0.000 0.866 57 N CB 0.147 38.614 38.487 -0.033 0.000 0.970 57 N HN 0.376 nan 8.380 nan 0.000 0.462 58 D N -0.582 119.829 120.400 0.018 0.000 2.981 58 D HA -0.129 4.512 4.640 0.001 0.000 0.223 58 D C -0.010 176.334 176.300 0.073 0.000 1.151 58 D CA 0.787 54.817 54.000 0.049 0.000 0.827 58 D CB -1.352 39.470 40.800 0.036 0.000 1.101 58 D HN 0.280 nan 8.370 nan 0.000 0.426 59 S N -1.760 113.984 115.700 0.074 0.000 2.546 59 S HA 0.089 4.560 4.470 0.001 0.000 0.282 59 S C 0.228 174.895 174.600 0.112 0.000 1.074 59 S CA -0.175 58.081 58.200 0.093 0.000 1.254 59 S CB 1.157 64.411 63.200 0.089 0.000 1.103 59 S HN 0.103 nan 8.310 nan 0.000 0.589 60 S N 2.207 117.968 115.700 0.101 0.000 2.520 60 S HA 0.612 5.082 4.470 0.001 0.000 0.324 60 S C -1.005 173.661 174.600 0.111 0.000 1.069 60 S CA -0.385 57.886 58.200 0.119 0.000 1.121 60 S CB 1.353 64.610 63.200 0.095 0.000 0.971 60 S HN 0.291 nan 8.310 nan 0.000 0.463 61 L N 4.751 126.048 121.223 0.122 0.000 2.317 61 L HA 0.654 4.995 4.340 0.001 0.000 0.281 61 L C -1.115 175.842 176.870 0.144 0.000 1.024 61 L CA -0.320 54.602 54.840 0.137 0.000 0.810 61 L CB 0.909 43.042 42.059 0.123 0.000 1.240 61 L HN 0.594 nan 8.230 nan 0.000 0.427 62 I N 5.051 125.724 120.570 0.171 0.000 2.439 62 I HA 0.476 4.646 4.170 0.001 0.000 0.283 62 I C -0.371 175.869 176.117 0.206 0.000 1.023 62 I CA -0.558 60.848 61.300 0.178 0.000 1.100 62 I CB 1.800 39.902 38.000 0.169 0.000 1.238 62 I HN 0.711 nan 8.210 nan 0.000 0.445 63 A N 8.040 130.969 122.820 0.183 0.000 2.294 63 A HA 0.747 5.068 4.320 0.001 0.000 0.316 63 A C -0.454 177.229 177.584 0.165 0.000 1.359 63 A CA -0.298 51.852 52.037 0.189 0.000 0.956 63 A CB -0.189 18.883 19.000 0.121 0.000 1.155 63 A HN 0.600 nan 8.150 nan 0.000 0.544 64 I N 2.065 122.751 120.570 0.193 0.000 2.428 64 I HA 0.564 4.734 4.170 0.001 0.000 0.296 64 I C 0.616 176.808 176.117 0.125 0.000 0.985 64 I CA -0.333 61.085 61.300 0.196 0.000 1.260 64 I CB 1.206 39.360 38.000 0.256 0.000 1.389 64 I HN 0.617 nan 8.210 nan 0.000 0.484 65 R N 6.463 127.015 120.500 0.087 0.000 2.538 65 R HA 0.592 4.933 4.340 0.001 0.000 0.292 65 R C -1.996 174.303 176.300 -0.001 0.000 1.008 65 R CA -0.584 55.510 56.100 -0.011 0.000 0.896 65 R CB 1.375 31.627 30.300 -0.080 0.000 1.187 65 R HN 0.697 nan 8.270 nan 0.000 0.440 66 L N 2.603 123.813 121.223 -0.021 0.000 2.360 66 L HA 0.733 5.074 4.340 0.001 0.000 0.271 66 L C 0.855 177.698 176.870 -0.046 0.000 1.057 66 L CA -0.692 54.139 54.840 -0.014 0.000 0.803 66 L CB 1.946 44.023 42.059 0.031 0.000 1.207 66 L HN 0.822 nan 8.230 nan 0.000 0.445 71 P HA 0.249 nan 4.420 nan 0.000 0.262 71 P C 0.965 178.233 177.300 -0.053 0.000 1.647 71 P CA 0.083 63.139 63.100 -0.074 0.000 0.865 71 P CB -0.215 31.443 31.700 -0.070 0.000 1.834 72 L N 0.069 121.268 121.223 -0.040 0.000 3.572 72 L HA -0.341 3.999 4.340 0.001 0.000 0.053 72 L C 1.245 178.106 176.870 -0.014 0.000 4.349 72 L CA 2.697 57.534 54.840 -0.004 0.000 0.629 72 L CB -1.237 40.829 42.059 0.012 0.000 3.504 72 L HN 0.329 nan 8.230 nan 0.000 0.812 73 E N -0.511 119.678 120.200 -0.018 0.000 2.368 73 E HA 0.164 4.515 4.350 0.001 0.000 0.188 73 E C 1.344 177.926 176.600 -0.030 0.000 1.061 73 E CA 0.783 57.174 56.400 -0.016 0.000 0.933 73 E CB 0.511 30.207 29.700 -0.007 0.000 1.091 73 E HN 0.529 nan 8.360 nan 0.000 0.458 74 S N -0.022 115.644 115.700 -0.058 0.000 2.506 74 S HA 0.341 4.812 4.470 0.001 0.000 0.219 74 S C 0.972 175.520 174.600 -0.085 0.000 1.031 74 S CA 0.688 58.844 58.200 -0.073 0.000 0.911 74 S CB -0.051 63.088 63.200 -0.101 0.000 0.812 74 S HN 0.630 nan 8.310 nan 0.000 0.497 75 G N 0.435 109.175 108.800 -0.099 0.000 2.782 75 G HA2 -0.188 3.772 3.960 0.001 0.000 0.228 75 G HA3 -0.188 3.772 3.960 0.001 0.000 0.228 75 G C -0.612 174.197 174.900 -0.152 0.000 1.372 75 G CA -0.343 44.722 45.100 -0.058 0.000 0.862 75 G HN 0.378 nan 8.290 nan 0.000 0.547 76 F N -0.059 119.893 119.950 0.004 0.000 2.541 76 F HA 0.760 5.287 4.527 0.001 0.000 0.331 76 F C 1.171 176.996 175.800 0.042 0.000 1.057 76 F CA -0.854 57.162 58.000 0.028 0.000 0.975 76 F CB 1.916 40.941 39.000 0.042 0.000 1.246 76 F HN 0.252 nan 8.300 nan 0.000 0.484 77 R N 3.185 123.870 120.500 0.308 0.000 2.868 77 R HA 0.329 4.670 4.340 0.001 0.000 0.289 77 R C -1.432 175.127 176.300 0.432 0.000 1.443 77 R CA -0.513 55.721 56.100 0.223 0.000 1.651 77 R CB -0.071 30.167 30.300 -0.104 0.000 1.242 77 R HN 0.465 nan 8.270 nan 0.000 0.621 78 L N 0.434 121.889 121.223 0.388 0.000 2.439 78 L HA 0.425 4.766 4.340 0.001 0.000 0.269 78 L C 0.547 177.584 176.870 0.278 0.000 1.179 78 L CA -0.135 54.870 54.840 0.275 0.000 0.828 78 L CB 0.822 42.941 42.059 0.100 0.000 1.106 78 L HN -0.010 nan 8.230 nan 0.000 0.467 79 V N 1.010 121.050 119.914 0.211 0.000 3.023 79 V HA 0.927 5.048 4.120 0.001 0.000 0.294 79 V C -0.698 175.453 176.094 0.094 0.000 1.324 79 V CA 0.292 62.655 62.300 0.104 0.000 0.979 79 V CB 1.989 33.878 31.823 0.109 0.000 1.093 79 V HN 0.907 nan 8.190 nan 0.000 0.434 80 G N 3.255 112.075 108.800 0.032 0.000 2.601 80 G HA2 0.965 4.926 3.960 0.001 0.000 0.291 80 G HA3 0.965 4.926 3.960 0.001 0.000 0.291 80 G C -1.247 173.640 174.900 -0.022 0.000 1.456 80 G CA -0.001 45.112 45.100 0.023 0.000 0.804 80 G HN 1.872 nan 8.290 nan 0.000 0.499 81 A N 0.212 122.965 122.820 -0.112 0.000 2.566 81 A HA 0.790 5.111 4.320 0.001 0.000 0.297 81 A C -0.512 176.923 177.584 -0.248 0.000 1.059 81 A CA -0.593 51.367 52.037 -0.129 0.000 0.691 81 A CB 0.741 19.684 19.000 -0.095 0.000 1.282 81 A HN 1.992 nan 8.150 nan 0.000 0.401 82 H N -0.356 118.661 119.070 -0.089 0.000 2.679 82 H HA 0.529 5.086 4.556 0.001 0.000 0.369 82 H C 1.156 176.503 175.328 0.031 0.000 1.178 82 H CA 0.362 56.409 56.048 -0.003 0.000 1.419 82 H CB 0.478 30.378 29.762 0.230 0.000 1.458 82 H HN 0.587 nan 8.280 nan 0.000 0.605 83 T N -1.849 112.814 114.554 0.182 0.000 3.010 83 T HA -0.042 4.309 4.350 0.001 0.000 0.252 83 T C 0.569 175.373 174.700 0.174 0.000 1.047 83 T CA 0.191 62.369 62.100 0.131 0.000 1.140 83 T CB -0.335 68.606 68.868 0.122 0.000 0.885 83 T HN 0.822 nan 8.240 nan 0.000 0.464 84 D N 2.643 123.211 120.400 0.279 0.000 2.360 84 D HA 0.336 4.976 4.640 0.001 0.000 0.242 84 D C -0.306 176.144 176.300 0.249 0.000 1.184 84 D CA -0.288 53.861 54.000 0.249 0.000 0.930 84 D CB 1.140 42.115 40.800 0.292 0.000 1.161 84 D HN 0.502 nan 8.370 nan 0.000 0.447 85 S N -1.151 114.646 115.700 0.161 0.000 2.536 85 S HA 0.477 4.948 4.470 0.001 0.000 0.271 85 S C -3.114 171.500 174.600 0.024 0.000 1.134 85 S CA -1.468 56.765 58.200 0.055 0.000 0.897 85 S CB 1.475 64.688 63.200 0.022 0.000 1.094 85 S HN 0.204 nan 8.310 nan 0.000 0.473 86 P HA 0.167 nan 4.420 nan 0.000 0.255 86 P C 0.010 177.305 177.300 -0.007 0.000 1.173 86 P CA 0.100 63.122 63.100 -0.130 0.000 0.780 86 P CB -0.616 30.929 31.700 -0.258 0.000 0.758 87 C N 2.320 121.667 119.300 0.078 0.000 3.311 87 C HA 0.629 5.090 4.460 0.001 0.000 0.366 87 C C -1.149 173.855 174.990 0.024 0.000 1.694 87 C CA -1.080 57.955 59.018 0.029 0.000 1.244 87 C CB 0.322 28.058 27.740 -0.006 0.000 2.038 87 C HN 0.196 nan 8.230 nan 0.000 0.436 88 L N 2.067 123.260 121.223 -0.049 0.000 2.264 88 L HA 0.575 4.916 4.340 0.001 0.000 0.287 88 L C 0.340 177.132 176.870 -0.130 0.000 1.039 88 L CA 0.219 55.011 54.840 -0.079 0.000 0.829 88 L CB 0.323 42.316 42.059 -0.111 0.000 1.211 88 L HN 0.697 nan 8.230 nan 0.000 0.427 89 R N 2.591 123.014 120.500 -0.128 0.000 2.267 89 R HA 0.437 4.778 4.340 0.001 0.000 0.319 89 R C -0.895 175.314 176.300 -0.150 0.000 1.067 89 R CA -0.366 55.611 56.100 -0.206 0.000 0.936 89 R CB 0.615 30.731 30.300 -0.307 0.000 1.006 89 R HN 0.367 nan 8.270 nan 0.000 0.452 90 V N 5.641 125.477 119.914 -0.130 0.000 2.572 90 V HA 0.066 4.186 4.120 0.001 0.000 0.291 90 V C 0.738 176.799 176.094 -0.056 0.000 1.039 90 V CA -0.091 62.165 62.300 -0.073 0.000 1.055 90 V CB 0.595 32.404 31.823 -0.023 0.000 0.969 90 V HN 0.760 nan 8.190 nan 0.000 0.482 91 K N 5.357 125.735 120.400 -0.037 0.000 2.187 91 K HA 0.146 4.466 4.320 0.001 0.000 0.247 91 K C -1.465 175.132 176.600 -0.005 0.000 1.019 91 K CA -1.002 55.271 56.287 -0.024 0.000 0.893 91 K CB 0.025 32.518 32.500 -0.012 0.000 1.025 91 K HN 0.368 nan 8.250 nan 0.000 0.500 92 P HA -0.211 nan 4.420 nan 0.000 0.206 92 P C -0.375 176.936 177.300 0.019 0.000 1.142 92 P CA 1.526 64.634 63.100 0.014 0.000 0.946 92 P CB 0.195 31.904 31.700 0.014 0.000 0.777 93 N N -1.332 117.379 118.700 0.018 0.000 2.790 93 N HA 0.181 4.922 4.740 0.001 0.000 0.256 93 N C -2.562 172.958 175.510 0.017 0.000 1.409 93 N CA -0.688 52.377 53.050 0.026 0.000 0.799 93 N CB 1.254 39.743 38.487 0.003 0.000 1.170 93 N HN 0.181 nan 8.380 nan 0.000 0.507 94 P HA 0.233 nan 4.420 nan 0.000 0.206 94 P C -0.486 176.841 177.300 0.046 0.000 1.854 94 P CA -0.182 62.935 63.100 0.029 0.000 0.969 94 P CB 0.196 31.912 31.700 0.026 0.000 1.843 95 E N 1.732 121.953 120.200 0.035 0.000 1.985 95 E HA 0.162 4.512 4.350 0.001 0.000 0.268 95 E C 0.142 176.764 176.600 0.036 0.000 1.219 95 E CA 0.037 56.466 56.400 0.047 0.000 0.942 95 E CB 0.505 30.214 29.700 0.014 0.000 1.045 95 E HN 0.475 nan 8.360 nan 0.000 0.413 96 I N 2.097 122.700 120.570 0.054 0.000 2.371 96 I HA 0.259 4.429 4.170 0.001 0.000 0.282 96 I C 0.114 176.268 176.117 0.061 0.000 1.031 96 I CA -0.669 60.661 61.300 0.049 0.000 1.180 96 I CB 1.355 39.386 38.000 0.052 0.000 1.336 96 I HN 0.267 nan 8.210 nan 0.000 0.467 97 A N 7.592 130.438 122.820 0.043 0.000 2.444 97 A HA 0.657 4.978 4.320 0.001 0.000 0.332 97 A C -0.083 177.511 177.584 0.018 0.000 1.430 97 A CA -0.485 51.574 52.037 0.036 0.000 0.975 97 A CB 0.154 19.165 19.000 0.018 0.000 1.147 97 A HN 0.722 nan 8.150 nan 0.000 0.524 98 R N 2.364 122.886 120.500 0.036 0.000 2.621 98 R HA 0.380 4.721 4.340 0.001 0.000 0.292 98 R C -0.427 175.825 176.300 -0.080 0.000 0.969 98 R CA -0.850 55.259 56.100 0.014 0.000 0.887 98 R CB 1.154 31.498 30.300 0.073 0.000 1.180 98 R HN 0.780 nan 8.270 nan 0.000 0.450 99 N N 1.210 119.801 118.700 -0.180 0.000 2.714 99 N HA -0.216 4.525 4.740 0.001 0.000 0.250 99 N C 0.625 175.602 175.510 -0.888 0.000 1.117 99 N CA 1.576 54.378 53.050 -0.414 0.000 0.719 99 N CB -0.985 37.338 38.487 -0.274 0.000 1.081 99 N HN 1.125 nan 8.380 nan 0.000 0.557 100 G N -1.841 106.631 108.800 -0.546 0.000 2.179 100 G HA2 -0.317 3.643 3.960 0.001 0.000 0.260 100 G HA3 -0.317 3.643 3.960 0.001 0.000 0.260 100 G C -0.043 174.631 174.900 -0.376 0.000 0.977 100 G CA 0.382 45.204 45.100 -0.464 0.000 0.641 100 G HN 0.450 nan 8.290 nan 0.000 0.533 101 F N -0.194 119.760 119.950 0.006 0.000 2.443 101 F HA 0.691 5.218 4.527 0.001 0.000 0.335 101 F C 0.586 176.393 175.800 0.011 0.000 1.104 101 F CA -1.246 56.757 58.000 0.005 0.000 1.013 101 F CB 1.674 40.677 39.000 0.005 0.000 1.136 101 F HN 0.020 nan 8.300 nan 0.000 0.470 102 L N 3.543 124.880 121.223 0.190 0.000 2.292 102 L HA 0.406 4.747 4.340 0.001 0.000 0.284 102 L C -0.707 176.237 176.870 0.124 0.000 1.065 102 L CA -0.107 54.807 54.840 0.122 0.000 0.806 102 L CB 1.009 43.120 42.059 0.086 0.000 1.175 102 L HN 0.700 nan 8.230 nan 0.000 0.431 103 Q N 4.727 124.598 119.800 0.118 0.000 2.423 103 Q HA 0.573 4.914 4.340 0.001 0.000 0.278 103 Q C -1.539 174.531 176.000 0.116 0.000 1.097 103 Q CA -0.843 55.030 55.803 0.116 0.000 0.809 103 Q CB 3.065 31.861 28.738 0.097 0.000 1.391 103 Q HN 0.552 nan 8.270 nan 0.000 0.428 104 L N 1.272 122.572 121.223 0.128 0.000 2.342 104 L HA 0.482 4.823 4.340 0.001 0.000 0.276 104 L C 0.421 177.317 176.870 0.043 0.000 0.997 104 L CA -0.816 54.085 54.840 0.102 0.000 0.838 104 L CB 1.569 43.717 42.059 0.148 0.000 1.224 104 L HN 0.722 nan 8.230 nan 0.000 0.416 105 G N 2.651 111.468 108.800 0.027 0.000 2.414 105 G HA2 0.365 4.326 3.960 0.001 0.000 0.236 105 G HA3 0.365 4.326 3.960 0.001 0.000 0.236 105 G C -0.119 174.769 174.900 -0.020 0.000 1.293 105 G CA -0.129 44.972 45.100 0.002 0.000 0.869 105 G HN 0.445 nan 8.290 nan 0.000 0.556 106 V N 0.073 119.964 119.914 -0.038 0.000 2.823 106 V HA 0.655 4.776 4.120 0.001 0.000 0.312 106 V C -0.267 175.801 176.094 -0.043 0.000 1.072 106 V CA -1.387 60.879 62.300 -0.057 0.000 0.937 106 V CB 2.057 33.828 31.823 -0.087 0.000 1.013 106 V HN 0.755 nan 8.190 nan 0.000 0.430 107 E N 1.553 121.727 120.200 -0.045 0.000 2.266 107 E HA 0.462 4.813 4.350 0.001 0.000 0.277 107 E C -0.731 175.870 176.600 0.002 0.000 1.018 107 E CA -0.816 55.572 56.400 -0.019 0.000 0.840 107 E CB 2.194 31.881 29.700 -0.021 0.000 1.082 107 E HN 0.636 nan 8.360 nan 0.000 0.395 108 V N 4.140 124.062 119.914 0.013 0.000 2.055 108 V HA -0.030 4.090 4.120 0.001 0.000 0.248 108 V C -0.397 175.720 176.094 0.038 0.000 1.476 108 V CA -0.147 62.162 62.300 0.015 0.000 1.417 108 V CB -1.560 30.264 31.823 0.003 0.000 1.465 108 V HN 0.520 nan 8.190 nan 0.000 0.502 109 Y N 3.708 123.962 120.300 -0.076 0.000 2.402 109 Y HA 0.512 5.063 4.550 0.002 0.000 0.333 109 Y C 1.105 176.959 175.900 -0.076 0.000 1.076 109 Y CA 1.259 59.309 58.100 -0.083 0.000 1.299 109 Y CB 0.479 38.869 38.460 -0.117 0.000 1.197 109 Y HN 0.767 nan 8.280 nan 0.000 0.517 110 G N 3.714 112.143 108.800 -0.619 0.000 2.509 110 G HA2 -0.185 3.776 3.960 0.001 0.000 0.259 110 G HA3 -0.185 3.776 3.960 0.001 0.000 0.259 110 G C 0.380 175.166 174.900 -0.190 0.000 1.169 110 G CA -0.357 44.442 45.100 -0.501 0.000 0.953 110 G HN 1.278 nan 8.290 nan 0.000 0.563 111 G N -0.558 108.193 108.800 -0.083 0.000 2.653 111 G HA2 0.688 4.649 3.960 0.001 0.000 0.265 111 G HA3 0.688 4.649 3.960 0.001 0.000 0.265 111 G C 0.890 175.806 174.900 0.027 0.000 1.237 111 G CA 1.384 46.554 45.100 0.118 0.000 0.946 111 G HN 1.941 nan 8.290 nan 0.000 0.522 112 A N -0.974 121.854 122.820 0.015 0.000 3.334 112 A HA 0.762 5.083 4.320 0.001 0.000 0.201 112 A C 0.676 178.228 177.584 -0.052 0.000 2.125 112 A CA 0.349 52.370 52.037 -0.027 0.000 1.573 112 A CB -0.707 18.260 19.000 -0.055 0.000 1.197 112 A HN 1.296 nan 8.150 nan 0.000 0.371 113 L N -3.419 117.698 121.223 -0.177 0.000 0.587 113 L HA -0.253 4.087 4.340 0.001 0.000 0.356 113 L C 0.654 177.398 176.870 -0.212 0.000 0.981 113 L CA 0.275 54.905 54.840 -0.350 0.000 1.223 113 L CB -0.764 41.201 42.059 -0.156 0.000 0.020 113 L HN 0.686 nan 8.230 nan 0.000 0.091 114 F N 0.278 120.337 119.950 0.181 0.000 2.078 114 F HA 0.280 4.807 4.527 -0.001 0.000 0.282 114 F C 1.683 177.777 175.800 0.490 0.000 1.246 114 F CA 0.771 58.959 58.000 0.314 0.000 1.116 114 F CB -0.738 38.311 39.000 0.082 0.000 0.995 114 F HN 0.577 nan 8.300 nan 0.000 0.499 115 A N 2.061 125.226 122.820 0.574 0.000 2.526 115 A HA 0.149 4.469 4.320 0.001 0.000 0.267 115 A C -1.472 176.259 177.584 0.246 0.000 1.095 115 A CA -0.974 51.301 52.037 0.397 0.000 0.775 115 A CB -1.042 18.107 19.000 0.248 0.000 1.036 115 A HN 0.319 nan 8.150 nan 0.000 0.510 116 P HA -0.260 nan 4.420 nan 0.000 0.235 116 P C 0.172 177.578 177.300 0.175 0.000 1.024 116 P CA 1.839 65.004 63.100 0.108 0.000 1.059 116 P CB -0.475 31.223 31.700 -0.004 0.000 0.714 117 W N -1.312 120.106 121.300 0.197 0.000 2.480 117 W HA 0.124 4.785 4.660 0.002 0.000 0.337 117 W C 1.105 177.917 176.519 0.489 0.000 1.201 117 W CA 0.823 58.355 57.345 0.311 0.000 1.309 117 W CB -0.810 28.860 29.460 0.350 0.000 1.168 117 W HN 0.060 nan 8.180 nan 0.000 0.566 118 F N -0.888 119.211 119.950 0.249 0.000 2.183 118 F HA -0.358 4.170 4.527 0.001 0.000 0.318 118 F C 0.730 176.588 175.800 0.097 0.000 0.587 118 F CA 0.335 58.426 58.000 0.152 0.000 0.912 118 F CB -1.615 37.472 39.000 0.145 0.000 4.135 118 F HN 0.501 nan 8.300 nan 0.000 0.137 119 D N -0.841 119.751 120.400 0.319 0.000 10.890 119 D HA -0.144 4.497 4.640 0.001 0.000 0.359 119 D C 0.666 177.037 176.300 0.118 0.000 3.118 119 D CA 0.659 54.767 54.000 0.179 0.000 2.613 119 D CB -0.137 40.751 40.800 0.147 0.000 1.178 119 D HN 0.466 nan 8.370 nan 0.000 0.941 120 R N 0.832 121.386 120.500 0.091 0.000 2.070 120 R HA -0.084 4.256 4.340 0.001 0.000 0.233 120 R C -0.021 176.334 176.300 0.092 0.000 1.137 120 R CA 1.547 57.692 56.100 0.076 0.000 0.945 120 R CB -0.662 29.675 30.300 0.061 0.000 0.845 120 R HN 0.666 nan 8.270 nan 0.000 0.430 121 D N -0.302 120.149 120.400 0.085 0.000 10.484 121 D HA -0.180 4.461 4.640 0.001 0.000 0.318 121 D C -0.639 175.768 176.300 0.178 0.000 3.002 121 D CA 0.750 54.808 54.000 0.097 0.000 2.679 121 D CB -0.149 40.724 40.800 0.122 0.000 1.149 121 D HN 0.111 nan 8.370 nan 0.000 0.891 122 L N 0.699 121.978 121.223 0.093 0.000 2.526 122 L HA 0.390 4.731 4.340 0.001 0.000 0.263 122 L C -0.745 176.092 176.870 -0.055 0.000 0.943 122 L CA -0.341 54.590 54.840 0.153 0.000 0.859 122 L CB 2.195 44.310 42.059 0.094 0.000 1.313 122 L HN 0.374 nan 8.230 nan 0.000 0.406 123 S N 5.211 120.915 115.700 0.007 0.000 2.548 123 S HA 0.720 5.190 4.470 0.001 0.000 0.277 123 S C -0.181 174.286 174.600 -0.222 0.000 1.315 123 S CA -0.360 57.767 58.200 -0.122 0.000 1.050 123 S CB 0.399 63.740 63.200 0.235 0.000 0.918 123 S HN 0.556 nan 8.310 nan 0.000 0.497 124 L N 0.756 121.499 121.223 -0.800 0.000 2.568 124 L HA 1.005 5.346 4.340 0.001 0.000 0.257 124 L C -0.635 175.465 176.870 -1.285 0.000 1.024 124 L CA -1.017 53.323 54.840 -0.833 0.000 0.854 124 L CB 1.208 43.042 42.059 -0.374 0.000 1.460 124 L HN 0.832 nan 8.230 nan 0.000 0.409 125 A N 0.185 122.612 122.820 -0.656 0.000 2.533 125 A HA 0.415 4.736 4.320 0.001 0.000 0.562 125 A C -0.235 177.413 177.584 0.107 0.000 0.668 125 A CA -0.217 51.668 52.037 -0.253 0.000 0.347 125 A CB -1.869 16.996 19.000 -0.224 0.000 3.101 125 A HN 1.968 nan 8.150 nan 0.000 0.593 126 G N -0.551 108.356 108.800 0.179 0.000 2.395 126 G HA2 0.594 4.555 3.960 0.001 0.000 0.283 126 G HA3 0.594 4.555 3.960 0.001 0.000 0.283 126 G C -0.082 174.951 174.900 0.221 0.000 1.178 126 G CA 0.353 45.562 45.100 0.181 0.000 0.837 126 G HN 1.038 nan 8.290 nan 0.000 0.518 127 R N 2.151 122.728 120.500 0.128 0.000 2.451 127 R HA 0.404 4.744 4.340 0.001 0.000 0.307 127 R C -1.211 175.078 176.300 -0.019 0.000 0.965 127 R CA -0.585 55.533 56.100 0.029 0.000 0.865 127 R CB 1.739 32.014 30.300 -0.043 0.000 1.174 127 R HN 0.321 nan 8.270 nan 0.000 0.455 128 V N 5.250 125.132 119.914 -0.053 0.000 2.387 128 V HA 0.101 4.222 4.120 0.001 0.000 0.260 128 V C 0.816 176.822 176.094 -0.148 0.000 1.054 128 V CA -0.195 62.056 62.300 -0.082 0.000 0.967 128 V CB 0.665 32.436 31.823 -0.087 0.000 1.036 128 V HN 0.927 nan 8.190 nan 0.000 0.481 129 T N 1.923 116.413 114.554 -0.106 0.000 2.754 129 T HA 0.383 4.733 4.350 0.001 0.000 0.286 129 T C -0.006 174.615 174.700 -0.130 0.000 0.997 129 T CA -0.487 61.544 62.100 -0.114 0.000 0.982 129 T CB 0.332 69.199 68.868 -0.002 0.000 1.027 129 T HN 0.202 nan 8.240 nan 0.000 0.529 130 F N 1.582 121.532 119.950 -0.000 0.000 2.650 130 F HA 0.355 4.883 4.527 0.001 0.000 0.338 130 F C 1.740 177.540 175.800 0.000 0.000 1.311 130 F CA 0.055 58.056 58.000 0.001 0.000 1.106 130 F CB -0.679 38.323 39.000 0.003 0.000 1.500 130 F HN 0.634 nan 8.300 nan 0.000 0.670 131 R N 1.606 122.178 120.500 0.120 0.000 2.555 131 R HA 0.233 4.573 4.340 0.001 0.000 0.050 131 R C 0.002 176.323 176.300 0.034 0.000 0.500 131 R CA 0.503 56.650 56.100 0.079 0.000 0.738 131 R CB -0.540 29.802 30.300 0.069 0.000 0.868 131 R HN 0.398 nan 8.270 nan 0.000 0.584 132 A N 1.478 124.305 122.820 0.011 0.000 2.475 132 A HA -0.221 4.100 4.320 0.001 0.000 0.295 132 A C -0.778 176.798 177.584 -0.014 0.000 1.457 132 A CA 1.418 53.448 52.037 -0.012 0.000 0.734 132 A CB -1.623 17.374 19.000 -0.006 0.000 1.118 132 A HN 0.547 nan 8.150 nan 0.000 0.400 133 N N 0.307 118.995 118.700 -0.020 0.000 2.425 133 N HA 0.521 5.262 4.740 0.001 0.000 0.289 133 N C -0.206 175.293 175.510 -0.019 0.000 1.074 133 N CA 0.405 53.447 53.050 -0.012 0.000 0.905 133 N CB 1.830 40.319 38.487 0.004 0.000 1.586 133 N HN 0.881 nan 8.380 nan 0.000 0.490 134 G N 1.962 110.753 108.800 -0.014 0.000 2.348 134 G HA2 0.489 4.450 3.960 0.001 0.000 0.312 134 G HA3 0.489 4.450 3.960 0.001 0.000 0.312 134 G C -0.927 173.982 174.900 0.014 0.000 1.126 134 G CA -0.326 44.769 45.100 -0.008 0.000 0.865 134 G HN 0.621 nan 8.290 nan 0.000 0.474 135 K N 1.094 121.512 120.400 0.029 0.000 2.542 135 K HA 0.473 4.793 4.320 0.001 0.000 0.259 135 K C -1.080 175.564 176.600 0.074 0.000 0.932 135 K CA -0.804 55.511 56.287 0.046 0.000 0.820 135 K CB 1.743 34.267 32.500 0.039 0.000 1.345 135 K HN 0.448 nan 8.250 nan 0.000 0.432 136 L N 0.111 121.381 121.223 0.079 0.000 2.334 136 L HA 0.833 5.174 4.340 0.001 0.000 0.272 136 L C -0.576 176.349 176.870 0.091 0.000 1.020 136 L CA -0.463 54.436 54.840 0.098 0.000 0.812 136 L CB 1.520 43.617 42.059 0.062 0.000 1.264 136 L HN 0.625 nan 8.230 nan 0.000 0.439 137 E N 0.066 120.338 120.200 0.120 0.000 2.375 137 E HA 0.778 5.128 4.350 0.001 0.000 0.280 137 E C -1.253 175.400 176.600 0.089 0.000 0.972 137 E CA 0.074 56.536 56.400 0.102 0.000 0.782 137 E CB 2.060 31.833 29.700 0.121 0.000 1.229 137 E HN 0.998 nan 8.360 nan 0.000 0.439 138 S N 2.088 117.817 115.700 0.049 0.000 3.070 138 S HA 0.897 5.368 4.470 0.001 0.000 0.320 138 S C -0.937 173.685 174.600 0.037 0.000 1.215 138 S CA -0.509 57.704 58.200 0.021 0.000 0.956 138 S CB 0.978 64.150 63.200 -0.046 0.000 1.337 138 S HN 0.746 nan 8.310 nan 0.000 0.639 139 R N -0.070 120.444 120.500 0.022 0.000 0.970 139 R HA 0.092 4.433 4.340 0.001 0.000 0.431 139 R C -1.177 175.150 176.300 0.046 0.000 1.364 139 R CA 0.678 56.794 56.100 0.026 0.000 1.167 139 R CB -1.419 28.890 30.300 0.015 0.000 3.395 139 R HN 1.930 nan 8.270 nan 0.000 0.514 140 L N 1.638 122.885 121.223 0.040 0.000 0.602 140 L HA -0.112 4.228 4.340 0.001 0.000 0.358 140 L C -1.085 175.821 176.870 0.059 0.000 1.004 140 L CA 0.864 55.728 54.840 0.040 0.000 1.221 140 L CB -0.399 41.678 42.059 0.030 0.000 0.206 140 L HN 0.779 nan 8.230 nan 0.000 0.151 141 V N 4.673 124.613 119.914 0.043 0.000 2.470 141 V HA 0.358 4.479 4.120 0.001 0.000 0.276 141 V C 0.736 176.835 176.094 0.008 0.000 1.040 141 V CA 1.342 63.673 62.300 0.053 0.000 1.008 141 V CB 1.141 32.986 31.823 0.038 0.000 0.990 141 V HN 0.852 nan 8.190 nan 0.000 0.477 142 D N 4.730 125.134 120.400 0.008 0.000 2.449 142 D HA 0.273 4.914 4.640 0.001 0.000 0.255 142 D C -0.573 175.434 176.300 -0.488 0.000 1.121 142 D CA 0.186 54.019 54.000 -0.279 0.000 0.830 142 D CB 0.425 40.945 40.800 -0.467 0.000 1.280 142 D HN 0.524 nan 8.370 nan 0.000 0.522 143 F N 0.518 120.463 119.950 -0.008 0.000 2.579 143 F HA 0.677 5.205 4.527 0.001 0.000 0.324 143 F C 0.209 175.989 175.800 -0.034 0.000 1.058 143 F CA -0.889 57.099 58.000 -0.020 0.000 0.944 143 F CB 1.714 40.704 39.000 -0.016 0.000 1.245 143 F HN -0.492 nan 8.300 nan 0.000 0.477 144 R N 0.636 121.214 120.500 0.130 0.000 2.663 144 R HA 0.386 4.726 4.340 0.001 0.000 0.267 144 R C -1.705 174.581 176.300 -0.023 0.000 1.038 144 R CA -1.186 54.931 56.100 0.030 0.000 0.886 144 R CB 2.785 33.065 30.300 -0.034 0.000 1.249 144 R HN 0.590 nan 8.270 nan 0.000 0.463 145 K N 1.317 121.687 120.400 -0.051 0.000 2.464 145 K HA 0.454 4.775 4.320 0.001 0.000 0.252 145 K C -0.723 175.863 176.600 -0.023 0.000 1.000 145 K CA -0.305 55.918 56.287 -0.107 0.000 0.951 145 K CB 2.006 34.357 32.500 -0.248 0.000 1.183 145 K HN 0.595 nan 8.250 nan 0.000 0.445 146 A N 3.525 126.328 122.820 -0.028 0.000 2.322 146 A HA 0.564 4.885 4.320 0.001 0.000 0.269 146 A C -0.470 177.289 177.584 0.292 0.000 1.094 146 A CA -0.516 51.513 52.037 -0.014 0.000 0.807 146 A CB 0.425 19.366 19.000 -0.100 0.000 1.047 146 A HN 0.805 nan 8.150 nan 0.000 0.487 147 I N -0.162 120.535 120.570 0.210 0.000 2.957 147 I HA 0.669 4.839 4.170 0.001 0.000 0.310 147 I C 0.410 176.579 176.117 0.086 0.000 1.063 147 I CA -0.848 60.590 61.300 0.231 0.000 1.033 147 I CB 2.003 40.089 38.000 0.144 0.000 1.230 147 I HN 0.753 nan 8.210 nan 0.000 0.447 148 A N 3.552 126.390 122.820 0.031 0.000 2.302 148 A HA 0.567 4.887 4.320 0.001 0.000 0.285 148 A C 0.210 177.788 177.584 -0.010 0.000 1.105 148 A CA 0.077 52.122 52.037 0.014 0.000 0.816 148 A CB 0.965 19.973 19.000 0.013 0.000 1.067 148 A HN 0.753 nan 8.150 nan 0.000 0.489 149 V N -0.719 119.195 119.914 -0.001 0.000 3.629 149 V HA 0.182 4.303 4.120 0.001 0.000 0.194 149 V C 1.557 177.646 176.094 -0.009 0.000 1.343 149 V CA 0.145 62.442 62.300 -0.005 0.000 1.292 149 V CB -0.974 30.857 31.823 0.013 0.000 1.287 149 V HN 0.624 nan 8.190 nan 0.000 0.554 150 I N 1.541 122.110 120.570 -0.001 0.000 2.394 150 I HA 0.027 4.197 4.170 0.001 0.000 0.251 150 I C -0.787 175.328 176.117 -0.003 0.000 1.136 150 I CA 0.929 62.228 61.300 -0.001 0.000 1.425 150 I CB -2.052 35.950 38.000 0.004 0.000 1.079 150 I HN 0.356 nan 8.210 nan 0.000 0.425 151 P HA -0.079 nan 4.420 nan 0.000 0.314 151 P C 0.090 177.384 177.300 -0.011 0.000 1.521 151 P CA 0.348 63.446 63.100 -0.002 0.000 0.754 151 P CB -0.783 30.918 31.700 0.002 0.000 1.692 152 N N -2.078 116.613 118.700 -0.014 0.000 1.673 152 N HA -0.240 4.501 4.740 0.001 0.000 0.120 152 N C -0.483 175.009 175.510 -0.030 0.000 0.843 152 N CA 0.164 53.202 53.050 -0.019 0.000 0.859 152 N CB -1.226 37.252 38.487 -0.014 0.000 0.883 152 N HN 0.030 nan 8.380 nan 0.000 0.676 153 L N 1.489 122.694 121.223 -0.030 0.000 2.584 153 L HA 0.084 4.425 4.340 0.001 0.000 0.272 153 L C 0.371 177.213 176.870 -0.046 0.000 1.195 153 L CA 0.383 55.199 54.840 -0.039 0.000 0.920 153 L CB -0.215 41.825 42.059 -0.032 0.000 1.173 153 L HN 0.369 nan 8.230 nan 0.000 0.489 167 I N 0.937 121.548 120.570 0.068 0.000 2.863 167 I HA 0.533 4.704 4.170 0.001 0.000 0.311 167 I C -0.274 175.918 176.117 0.126 0.000 1.026 167 I CA -0.900 60.449 61.300 0.082 0.000 1.077 167 I CB 1.185 39.220 38.000 0.058 0.000 1.262 167 I HN 0.321 nan 8.210 nan 0.000 0.461 168 N N 2.836 121.635 118.700 0.165 0.000 2.454 168 N HA -0.097 4.644 4.740 0.001 0.000 0.280 168 N C -1.021 174.582 175.510 0.155 0.000 1.515 168 N CA 0.666 53.856 53.050 0.234 0.000 0.892 168 N CB -0.653 38.018 38.487 0.306 0.000 0.892 168 N HN 0.902 nan 8.380 nan 0.000 0.475 169 A N 2.135 125.038 122.820 0.139 0.000 2.679 169 A HA 0.551 4.872 4.320 0.001 0.000 0.288 169 A C 0.885 178.517 177.584 0.080 0.000 1.160 169 A CA 0.585 52.677 52.037 0.092 0.000 0.763 169 A CB 1.049 20.092 19.000 0.073 0.000 1.270 169 A HN 0.737 nan 8.150 nan 0.000 0.417 170 Q N 2.010 121.848 119.800 0.063 0.000 1.984 170 Q HA -0.331 4.009 4.340 0.001 0.000 0.269 170 Q C 0.495 176.520 176.000 0.043 0.000 2.610 170 Q CA 2.501 58.329 55.803 0.041 0.000 0.582 170 Q CB -1.064 27.694 28.738 0.033 0.000 1.004 170 Q HN 1.010 nan 8.270 nan 0.000 0.603 171 N N 1.628 120.362 118.700 0.056 0.000 3.127 171 N HA -0.015 4.726 4.740 0.001 0.000 0.317 171 N C -0.090 175.476 175.510 0.094 0.000 1.242 171 N CA 1.283 54.369 53.050 0.060 0.000 1.203 171 N CB 0.637 39.160 38.487 0.061 0.000 1.462 171 N HN 0.516 nan 8.380 nan 0.000 0.546 172 E N -0.682 119.565 120.200 0.079 0.000 2.537 172 E HA 0.141 4.492 4.350 0.001 0.000 0.191 172 E C 1.134 177.607 176.600 -0.212 0.000 0.987 172 E CA -0.093 56.390 56.400 0.139 0.000 1.607 172 E CB 0.177 30.126 29.700 0.416 0.000 2.499 172 E HN 0.196 nan 8.360 nan 0.000 1.073 173 L N 1.386 122.479 121.223 -0.217 0.000 2.416 173 L HA 0.167 4.507 4.340 0.001 0.000 0.216 173 L C -1.873 174.841 176.870 -0.260 0.000 1.098 173 L CA -0.251 54.362 54.840 -0.380 0.000 0.840 173 L CB -0.521 41.397 42.059 -0.235 0.000 0.981 173 L HN -0.109 nan 8.230 nan 0.000 0.462 174 P HA 0.081 nan 4.420 nan 0.000 0.266 174 P C -2.390 174.869 177.300 -0.068 0.000 1.215 174 P CA -0.672 62.382 63.100 -0.076 0.000 0.763 174 P CB 0.188 31.875 31.700 -0.021 0.000 0.806 175 P HA 0.272 nan 4.420 nan 0.000 0.276 175 P C -0.295 177.061 177.300 0.092 0.000 1.252 175 P CA -0.443 62.668 63.100 0.018 0.000 0.802 175 P CB 0.727 32.473 31.700 0.078 0.000 1.035 176 I N 2.615 123.220 120.570 0.058 0.000 2.331 176 I HA 0.249 4.419 4.170 0.001 0.000 0.292 176 I C 0.666 176.787 176.117 0.006 0.000 0.998 176 I CA -0.422 60.896 61.300 0.030 0.000 1.267 176 I CB 0.687 38.642 38.000 -0.075 0.000 1.386 176 I HN 0.352 nan 8.210 nan 0.000 0.476 177 I N 7.221 127.773 120.570 -0.028 0.000 3.196 177 I HA 0.407 4.578 4.170 0.001 0.000 0.248 177 I C 0.704 176.714 176.117 -0.177 0.000 1.105 177 I CA 0.241 61.384 61.300 -0.262 0.000 1.482 177 I CB 0.540 38.349 38.000 -0.319 0.000 1.400 177 I HN 0.626 nan 8.210 nan 0.000 0.464 178 A N 0.639 123.423 122.820 -0.060 0.000 2.313 178 A HA 0.629 4.949 4.320 0.001 0.000 0.323 178 A C -0.733 176.887 177.584 0.060 0.000 1.133 178 A CA -0.360 51.666 52.037 -0.020 0.000 0.847 178 A CB 1.400 20.394 19.000 -0.010 0.000 1.308 178 A HN 0.369 nan 8.150 nan 0.000 0.475 179 Q N 0.888 120.730 119.800 0.070 0.000 3.550 179 Q HA 0.566 4.906 4.340 0.001 0.000 0.206 179 Q C -2.059 173.990 176.000 0.082 0.000 0.891 179 Q CA 0.106 55.996 55.803 0.146 0.000 0.737 179 Q CB 0.636 29.485 28.738 0.184 0.000 1.417 179 Q HN 0.775 nan 8.270 nan 0.000 0.460 180 L N 0.401 121.650 121.223 0.045 0.000 3.002 180 L HA 0.851 5.192 4.340 0.001 0.000 0.267 180 L C -1.858 175.009 176.870 -0.005 0.000 0.997 180 L CA -0.574 54.273 54.840 0.012 0.000 0.961 180 L CB 1.963 44.029 42.059 0.013 0.000 1.502 180 L HN 0.485 nan 8.230 nan 0.000 0.408 181 A N 0.621 123.432 122.820 -0.014 0.000 2.608 181 A HA 0.852 5.173 4.320 0.001 0.000 0.292 181 A C -2.564 175.012 177.584 -0.014 0.000 1.066 181 A CA -0.602 51.426 52.037 -0.016 0.000 0.676 181 A CB 1.242 20.222 19.000 -0.033 0.000 1.277 181 A HN 0.558 nan 8.150 nan 0.000 0.413 182 P HA 0.324 nan 4.420 nan 0.000 0.252 182 P C 0.728 178.030 177.300 0.002 0.000 1.211 182 P CA 1.192 64.288 63.100 -0.006 0.000 0.824 182 P CB 0.907 32.602 31.700 -0.007 0.000 1.077 183 G N -0.316 108.485 108.800 0.002 0.000 3.268 183 G HA2 -0.086 3.875 3.960 0.001 0.000 0.220 183 G HA3 -0.086 3.875 3.960 0.001 0.000 0.220 183 G C -0.174 174.727 174.900 0.002 0.000 0.942 183 G CA -0.299 44.804 45.100 0.005 0.000 0.918 183 G HN 0.421 nan 8.290 nan 0.000 0.658 204 A N 3.631 126.461 122.820 0.018 0.000 1.854 204 A HA 0.418 4.738 4.320 0.001 0.000 0.214 204 A C 0.855 178.447 177.584 0.014 0.000 1.192 204 A CA 1.461 53.506 52.037 0.014 0.000 0.611 204 A CB -0.808 18.200 19.000 0.013 0.000 0.832 204 A HN 1.359 nan 8.150 nan 0.000 0.442 205 D N -1.887 118.523 120.400 0.016 0.000 10.050 205 D HA -0.120 4.521 4.640 0.001 0.000 0.307 205 D C -0.512 175.792 176.300 0.006 0.000 2.837 205 D CA 0.669 54.678 54.000 0.015 0.000 2.563 205 D CB -0.478 40.334 40.800 0.020 0.000 1.087 205 D HN 0.393 nan 8.370 nan 0.000 0.825 206 V N 5.752 125.669 119.914 0.005 0.000 2.485 206 V HA 0.052 4.173 4.120 0.001 0.000 0.287 206 V C 2.167 178.247 176.094 -0.022 0.000 1.022 206 V CA 0.030 62.329 62.300 -0.003 0.000 1.067 206 V CB 0.850 32.678 31.823 0.010 0.000 0.967 206 V HN 0.657 nan 8.190 nan 0.000 0.479 207 V N 4.651 124.548 119.914 -0.029 0.000 2.408 207 V HA -0.403 3.717 4.120 0.001 0.000 0.229 207 V C 1.627 177.689 176.094 -0.054 0.000 1.002 207 V CA 3.397 65.671 62.300 -0.043 0.000 1.104 207 V CB -1.186 30.602 31.823 -0.058 0.000 0.895 207 V HN 1.009 nan 8.190 nan 0.000 0.495 208 L N -5.913 115.253 121.223 -0.094 0.000 1.382 208 L HA 0.432 4.773 4.340 0.001 0.000 0.119 208 L C 0.404 177.157 176.870 -0.194 0.000 1.393 208 L CA 0.696 55.467 54.840 -0.114 0.000 1.170 208 L CB -0.424 41.581 42.059 -0.090 0.000 2.429 208 L HN 0.335 nan 8.230 nan 0.000 0.470 209 D N 0.458 120.663 120.400 -0.326 0.000 3.347 209 D HA -0.265 4.376 4.640 0.001 0.000 0.234 209 D C -0.989 174.923 176.300 -0.647 0.000 1.753 209 D CA 2.635 56.255 54.000 -0.634 0.000 1.103 209 D CB -0.877 39.721 40.800 -0.337 0.000 0.762 209 D HN 0.537 nan 8.370 nan 0.000 0.910 210 Y N -0.252 120.064 120.300 0.026 0.000 2.646 210 Y HA 0.574 5.124 4.550 0.001 0.000 0.334 210 Y C 0.075 175.973 175.900 -0.002 0.000 1.004 210 Y CA -0.480 57.626 58.100 0.009 0.000 1.301 210 Y CB 1.442 39.920 38.460 0.029 0.000 1.093 210 Y HN 0.228 nan 8.280 nan 0.000 0.530 211 E N 2.203 122.414 120.200 0.018 0.000 4.230 211 E HA 0.326 4.677 4.350 0.001 0.000 0.218 211 E C -1.361 175.169 176.600 -0.116 0.000 1.140 211 E CA -0.057 56.289 56.400 -0.089 0.000 1.405 211 E CB -0.048 29.551 29.700 -0.169 0.000 1.193 211 E HN 0.642 nan 8.360 nan 0.000 0.423 212 L N 1.293 122.474 121.223 -0.069 0.000 2.650 212 L HA 0.253 4.593 4.340 0.001 0.000 0.239 212 L C 0.561 177.403 176.870 -0.048 0.000 1.412 212 L CA 0.240 55.018 54.840 -0.104 0.000 1.219 212 L CB -1.226 40.801 42.059 -0.053 0.000 1.534 212 L HN 0.334 nan 8.230 nan 0.000 0.430 213 S N -0.083 115.593 115.700 -0.040 0.000 3.711 213 S HA -0.352 4.118 4.470 0.001 0.000 0.625 213 S C 0.141 174.878 174.600 0.228 0.000 2.458 213 S CA 1.461 59.706 58.200 0.074 0.000 4.059 213 S CB -0.719 62.541 63.200 0.099 0.000 0.257 213 S HN 0.451 nan 8.310 nan 0.000 0.974 214 F N 0.733 120.730 119.950 0.078 0.000 2.526 214 F HA 0.484 5.012 4.527 0.002 0.000 0.379 214 F C -1.012 174.820 175.800 0.053 0.000 1.506 214 F CA -0.517 57.499 58.000 0.026 0.000 1.076 214 F CB 0.286 39.282 39.000 -0.007 0.000 1.746 214 F HN 0.472 nan 8.300 nan 0.000 0.520 215 Y N 1.381 121.613 120.300 -0.113 0.000 2.334 215 Y HA 0.487 5.038 4.550 0.001 0.000 0.328 215 Y C 0.270 176.043 175.900 -0.211 0.000 1.130 215 Y CA -0.155 57.871 58.100 -0.123 0.000 1.163 215 Y CB 0.971 39.383 38.460 -0.081 0.000 1.207 215 Y HN 0.303 nan 8.280 nan 0.000 0.471 216 D N -0.142 120.067 120.400 -0.318 0.000 2.650 216 D HA 0.603 5.243 4.640 0.001 0.000 0.255 216 D C -1.191 174.919 176.300 -0.318 0.000 1.135 216 D CA -0.585 53.237 54.000 -0.295 0.000 1.099 216 D CB 1.498 42.124 40.800 -0.290 0.000 1.273 216 D HN 0.324 nan 8.370 nan 0.000 0.628 217 T N 0.629 115.023 114.554 -0.267 0.000 3.011 217 T HA 0.455 4.805 4.350 0.001 0.000 0.303 217 T C -1.360 173.237 174.700 -0.171 0.000 0.997 217 T CA -0.889 61.046 62.100 -0.276 0.000 1.007 217 T CB 1.452 70.117 68.868 -0.339 0.000 1.017 217 T HN 0.327 nan 8.240 nan 0.000 0.443 218 Q N 1.817 121.536 119.800 -0.135 0.000 2.413 218 Q HA 0.581 4.921 4.340 0.001 0.000 0.276 218 Q C -0.905 175.074 176.000 -0.034 0.000 1.099 218 Q CA -0.724 55.033 55.803 -0.077 0.000 0.814 218 Q CB 2.240 30.929 28.738 -0.082 0.000 1.379 218 Q HN 0.517 nan 8.270 nan 0.000 0.436 219 S N 1.091 116.786 115.700 -0.009 0.000 2.549 219 S HA 0.485 4.956 4.470 0.001 0.000 0.279 219 S C 0.705 175.314 174.600 0.014 0.000 1.321 219 S CA 0.439 58.651 58.200 0.020 0.000 1.054 219 S CB 0.411 63.633 63.200 0.037 0.000 0.899 219 S HN 0.734 nan 8.310 nan 0.000 0.497 220 A N 5.729 128.565 122.820 0.026 0.000 1.833 220 A HA 0.479 4.799 4.320 0.001 0.000 0.215 220 A C 1.443 179.040 177.584 0.021 0.000 1.275 220 A CA 0.720 52.769 52.037 0.021 0.000 0.602 220 A CB -1.627 17.390 19.000 0.029 0.000 0.929 220 A HN 1.950 nan 8.150 nan 0.000 0.462 221 A N -0.117 122.721 122.820 0.029 0.000 1.700 221 A HA 0.092 4.412 4.320 0.001 0.000 0.334 221 A C 0.576 178.176 177.584 0.026 0.000 0.978 221 A CA 0.695 52.750 52.037 0.030 0.000 1.490 221 A CB -1.782 17.240 19.000 0.037 0.000 0.700 221 A HN 1.490 nan 8.150 nan 0.000 0.210 222 V N 4.476 124.405 119.914 0.025 0.000 2.953 222 V HA 0.060 4.181 4.120 0.001 0.000 0.304 222 V C 1.198 177.314 176.094 0.036 0.000 1.138 222 V CA 0.572 62.889 62.300 0.029 0.000 1.266 222 V CB 0.651 32.490 31.823 0.027 0.000 0.923 222 V HN 0.884 nan 8.190 nan 0.000 0.505 223 V N 6.323 126.268 119.914 0.051 0.000 2.752 223 V HA 0.327 4.448 4.120 0.001 0.000 0.306 223 V C 0.914 177.041 176.094 0.054 0.000 1.099 223 V CA 1.148 63.485 62.300 0.061 0.000 1.240 223 V CB -0.013 31.888 31.823 0.129 0.000 0.887 223 V HN 1.191 nan 8.190 nan 0.000 0.499 224 G N 3.842 112.670 108.800 0.046 0.000 2.667 224 G HA2 0.619 4.580 3.960 0.001 0.000 0.298 224 G HA3 0.619 4.580 3.960 0.001 0.000 0.298 224 G C -1.169 173.754 174.900 0.039 0.000 1.377 224 G CA -1.090 44.033 45.100 0.039 0.000 0.964 224 G HN 0.637 nan 8.290 nan 0.000 0.493 225 L N 1.943 123.187 121.223 0.036 0.000 2.416 225 L HA 0.256 4.597 4.340 0.001 0.000 0.272 225 L C 0.266 177.155 176.870 0.032 0.000 1.161 225 L CA -0.509 54.353 54.840 0.036 0.000 0.845 225 L CB 0.459 42.538 42.059 0.034 0.000 1.119 225 L HN 0.449 nan 8.230 nan 0.000 0.464 226 N N 1.423 120.144 118.700 0.035 0.000 2.906 226 N HA 0.473 5.214 4.740 0.001 0.000 0.327 226 N C -0.941 174.580 175.510 0.019 0.000 1.344 226 N CA -0.749 52.316 53.050 0.025 0.000 0.823 226 N CB 0.719 39.223 38.487 0.029 0.000 1.351 226 N HN 0.525 nan 8.380 nan 0.000 0.604 227 D N -0.221 120.178 120.400 -0.003 0.000 10.579 227 D HA -0.162 4.478 4.640 0.001 0.000 0.361 227 D C 0.509 176.744 176.300 -0.109 0.000 3.052 227 D CA 0.606 54.583 54.000 -0.037 0.000 2.480 227 D CB 0.097 40.904 40.800 0.012 0.000 1.162 227 D HN 0.707 nan 8.370 nan 0.000 0.997 228 E N -1.027 119.013 120.200 -0.266 0.000 2.072 228 E HA -0.098 4.252 4.350 0.001 0.000 0.191 228 E C 1.100 177.424 176.600 -0.459 0.000 0.985 228 E CA 1.259 57.381 56.400 -0.463 0.000 0.801 228 E CB 0.144 29.381 29.700 -0.772 0.000 0.750 228 E HN 0.400 nan 8.360 nan 0.000 0.452 229 F N -0.379 119.589 119.950 0.030 0.000 2.480 229 F HA 0.202 4.730 4.527 0.001 0.000 0.212 229 F C 0.997 176.815 175.800 0.031 0.000 1.113 229 F CA -0.738 57.281 58.000 0.031 0.000 0.970 229 F CB 0.078 39.101 39.000 0.038 0.000 1.177 229 F HN -0.094 nan 8.300 nan 0.000 0.663 230 I N -1.437 119.307 120.570 0.291 0.000 2.944 230 I HA 0.502 4.673 4.170 0.001 0.000 0.330 230 I C -0.212 176.001 176.117 0.161 0.000 1.482 230 I CA -0.480 60.913 61.300 0.156 0.000 0.880 230 I CB 0.491 38.550 38.000 0.097 0.000 1.728 230 I HN 0.197 nan 8.210 nan 0.000 0.561 231 A N 1.306 124.237 122.820 0.185 0.000 3.181 231 A HA 0.879 5.200 4.320 0.001 0.000 0.293 231 A C 0.767 178.426 177.584 0.126 0.000 1.346 231 A CA 0.162 52.308 52.037 0.182 0.000 1.018 231 A CB -0.824 18.309 19.000 0.222 0.000 1.093 231 A HN 1.045 nan 8.150 nan 0.000 0.629 232 G N -1.780 107.083 108.800 0.105 0.000 2.317 232 G HA2 0.600 4.561 3.960 0.001 0.000 0.445 232 G HA3 0.600 4.561 3.960 0.001 0.000 0.445 232 G C -0.595 174.345 174.900 0.068 0.000 1.486 232 G CA -0.110 45.042 45.100 0.086 0.000 0.991 232 G HN 1.708 nan 8.290 nan 0.000 0.660 233 A N 0.373 123.232 122.820 0.066 0.000 5.650 233 A HA 1.038 5.358 4.320 0.001 0.000 0.194 233 A C -0.186 177.433 177.584 0.059 0.000 0.895 233 A CA 0.659 52.730 52.037 0.058 0.000 0.804 233 A CB 0.276 19.309 19.000 0.056 0.000 2.103 233 A HN 2.293 nan 8.150 nan 0.000 1.022 234 R N -1.735 118.799 120.500 0.056 0.000 0.959 234 R HA -0.099 4.242 4.340 0.001 0.000 0.432 234 R C -0.411 175.893 176.300 0.006 0.000 1.366 234 R CA 0.839 56.964 56.100 0.040 0.000 1.194 234 R CB -1.536 28.796 30.300 0.054 0.000 3.435 234 R HN 1.251 nan 8.270 nan 0.000 0.516 235 L N 0.375 121.561 121.223 -0.061 0.000 3.260 235 L HA 0.181 4.522 4.340 0.001 0.000 0.171 235 L C 1.732 178.538 176.870 -0.106 0.000 1.315 235 L CA 0.319 55.121 54.840 -0.064 0.000 0.886 235 L CB -0.158 41.866 42.059 -0.058 0.000 1.431 235 L HN 0.690 nan 8.230 nan 0.000 0.583 236 D N 0.476 120.737 120.400 -0.231 0.000 2.129 236 D HA -0.172 4.469 4.640 0.001 0.000 0.220 236 D C 0.319 176.509 176.300 -0.183 0.000 0.988 236 D CA 1.318 55.199 54.000 -0.198 0.000 0.904 236 D CB -0.168 40.500 40.800 -0.220 0.000 1.018 236 D HN 0.598 nan 8.370 nan 0.000 0.444 237 N N -0.076 118.433 118.700 -0.318 0.000 2.677 237 N HA -0.234 4.506 4.740 0.001 0.000 0.249 237 N C -0.609 174.935 175.510 0.055 0.000 1.073 237 N CA 0.308 53.340 53.050 -0.031 0.000 0.737 237 N CB -2.134 36.373 38.487 0.032 0.000 0.999 237 N HN 0.242 nan 8.380 nan 0.000 0.543 238 L N 0.110 121.339 121.223 0.011 0.000 2.387 238 L HA 0.271 4.611 4.340 0.001 0.000 0.267 238 L C 0.730 177.545 176.870 -0.091 0.000 1.197 238 L CA -0.619 54.218 54.840 -0.004 0.000 1.070 238 L CB -0.046 42.017 42.059 0.007 0.000 1.349 238 L HN 0.320 nan 8.230 nan 0.000 0.422 239 L N 0.198 121.324 121.223 -0.162 0.000 4.988 239 L HA -0.305 4.035 4.340 0.001 0.000 0.439 239 L C 1.105 177.934 176.870 -0.068 0.000 1.080 239 L CA 1.183 55.839 54.840 -0.307 0.000 1.018 239 L CB -1.380 40.184 42.059 -0.825 0.000 1.945 239 L HN 0.659 nan 8.230 nan 0.000 0.782 240 S N -1.529 114.208 115.700 0.061 0.000 2.593 240 S HA 0.362 4.833 4.470 0.001 0.000 0.269 240 S C 1.584 176.414 174.600 0.385 0.000 1.334 240 S CA 0.186 58.528 58.200 0.237 0.000 1.015 240 S CB 1.026 64.371 63.200 0.241 0.000 0.912 240 S HN 1.406 nan 8.310 nan 0.000 0.541 241 C N 2.992 122.551 119.300 0.432 0.000 5.883 241 C HA -0.261 4.199 4.460 0.001 0.000 0.327 241 C C 1.465 176.437 174.990 -0.029 0.000 2.424 241 C CA 1.928 61.043 59.018 0.162 0.000 2.187 241 C CB -2.912 24.974 27.740 0.244 0.000 3.226 241 C HN 1.075 nan 8.230 nan 0.000 0.268 242 H N 1.957 121.033 119.070 0.010 0.000 2.457 242 H HA 0.391 4.948 4.556 0.001 0.000 0.294 242 H C 2.138 177.429 175.328 -0.061 0.000 1.064 242 H CA 2.034 58.054 56.048 -0.046 0.000 1.330 242 H CB -0.143 29.575 29.762 -0.073 0.000 1.395 242 H HN 0.962 nan 8.280 nan 0.000 0.541 243 A N -0.180 122.687 122.820 0.078 0.000 2.640 243 A HA 0.459 4.780 4.320 0.001 0.000 0.282 243 A C 1.654 179.210 177.584 -0.048 0.000 1.357 243 A CA 0.598 52.657 52.037 0.037 0.000 0.946 243 A CB -0.393 18.653 19.000 0.076 0.000 1.065 243 A HN 0.505 nan 8.150 nan 0.000 0.541 244 G N -1.249 107.417 108.800 -0.224 0.000 2.472 244 G HA2 0.130 4.091 3.960 0.001 0.000 0.212 244 G HA3 0.130 4.091 3.960 0.001 0.000 0.212 244 G C 1.064 175.707 174.900 -0.428 0.000 1.484 244 G CA 0.216 44.941 45.100 -0.625 0.000 0.542 244 G HN 0.235 nan 8.290 nan 0.000 1.118 245 L N 0.920 121.966 121.223 -0.296 0.000 2.141 245 L HA 0.136 4.476 4.340 0.001 0.000 0.209 245 L C 2.510 179.312 176.870 -0.113 0.000 1.094 245 L CA 1.343 56.058 54.840 -0.209 0.000 0.763 245 L CB -0.047 41.885 42.059 -0.212 0.000 0.908 245 L HN 0.312 nan 8.230 nan 0.000 0.437 246 E N 0.370 120.522 120.200 -0.079 0.000 2.152 246 E HA -0.179 4.171 4.350 0.001 0.000 0.192 246 E C 2.210 178.843 176.600 0.055 0.000 0.983 246 E CA 0.916 57.330 56.400 0.024 0.000 0.818 246 E CB 0.106 29.830 29.700 0.040 0.000 0.758 246 E HN 0.463 nan 8.360 nan 0.000 0.467 247 A N 0.668 123.458 122.820 -0.050 0.000 1.968 247 A HA -0.033 4.288 4.320 0.001 0.000 0.217 247 A C 1.898 179.436 177.584 -0.077 0.000 1.169 247 A CA 0.534 52.530 52.037 -0.070 0.000 0.638 247 A CB -0.267 18.642 19.000 -0.151 0.000 0.812 247 A HN 0.257 nan 8.150 nan 0.000 0.446 248 L N -0.506 120.648 121.223 -0.114 0.000 2.660 248 L HA 0.065 4.406 4.340 0.001 0.000 0.238 248 L C 1.339 178.204 176.870 -0.009 0.000 1.161 248 L CA -0.120 54.666 54.840 -0.091 0.000 0.937 248 L CB 0.134 42.105 42.059 -0.147 0.000 1.122 248 L HN 0.259 nan 8.230 nan 0.000 0.435 249 L N -1.439 119.823 121.223 0.065 0.000 2.730 249 L HA 0.158 4.498 4.340 0.001 0.000 0.236 249 L C 1.845 178.848 176.870 0.221 0.000 1.061 249 L CA 0.737 55.693 54.840 0.192 0.000 0.898 249 L CB -0.381 41.848 42.059 0.284 0.000 1.270 249 L HN 0.084 nan 8.230 nan 0.000 0.500 250 N N 0.287 119.053 118.700 0.111 0.000 2.512 250 N HA 0.001 4.741 4.740 0.001 0.000 0.183 250 N C 1.286 176.732 175.510 -0.107 0.000 1.073 250 N CA 1.042 54.010 53.050 -0.136 0.000 0.911 250 N CB 0.350 38.774 38.487 -0.104 0.000 0.964 250 N HN 0.305 nan 8.380 nan 0.000 0.447 251 A N -1.009 121.788 122.820 -0.039 0.000 2.431 251 A HA 0.264 4.585 4.320 0.001 0.000 0.239 251 A C 1.404 178.980 177.584 -0.013 0.000 1.230 251 A CA -0.083 51.934 52.037 -0.035 0.000 0.928 251 A CB 0.390 19.371 19.000 -0.031 0.000 1.006 251 A HN 0.086 nan 8.150 nan 0.000 0.520 252 E N -0.118 120.089 120.200 0.013 0.000 2.421 252 E HA 0.113 4.464 4.350 0.001 0.000 0.209 252 E C 1.095 177.724 176.600 0.048 0.000 0.871 252 E CA 0.440 56.859 56.400 0.031 0.000 1.064 252 E CB 0.264 29.989 29.700 0.042 0.000 1.075 252 E HN 0.436 nan 8.360 nan 0.000 0.513 253 G N 1.926 110.772 108.800 0.076 0.000 2.491 253 G HA2 0.042 4.002 3.960 0.001 0.000 0.242 253 G HA3 0.042 4.002 3.960 0.001 0.000 0.242 253 G C -0.146 174.772 174.900 0.029 0.000 1.266 253 G CA -0.326 44.835 45.100 0.102 0.000 0.844 253 G HN -0.132 nan 8.290 nan 0.000 0.571 254 D N 1.083 121.504 120.400 0.035 0.000 2.417 254 D HA 0.121 4.761 4.640 0.001 0.000 0.250 254 D C 0.302 176.594 176.300 -0.014 0.000 1.166 254 D CA 0.486 54.490 54.000 0.008 0.000 0.881 254 D CB 1.144 41.951 40.800 0.012 0.000 1.164 254 D HN 0.282 nan 8.370 nan 0.000 0.467 255 E N 2.044 122.227 120.200 -0.028 0.000 2.265 255 E HA 0.077 4.427 4.350 0.001 0.000 0.272 255 E C 0.988 177.566 176.600 -0.037 0.000 1.067 255 E CA 0.034 56.407 56.400 -0.044 0.000 0.900 255 E CB 0.368 30.042 29.700 -0.045 0.000 1.017 255 E HN 0.425 nan 8.360 nan 0.000 0.431 256 N N 1.459 120.133 118.700 -0.044 0.000 2.143 256 N HA -0.031 4.709 4.740 0.001 0.000 0.294 256 N C -0.168 175.312 175.510 -0.050 0.000 0.929 256 N CA 0.360 53.387 53.050 -0.039 0.000 0.723 256 N CB -0.192 38.279 38.487 -0.027 0.000 1.981 256 N HN 0.451 nan 8.380 nan 0.000 0.854 257 C N 1.091 120.354 119.300 -0.062 0.000 2.822 257 C HA 0.851 5.312 4.460 0.001 0.000 0.341 257 C C 0.506 175.439 174.990 -0.095 0.000 1.301 257 C CA -1.522 57.449 59.018 -0.080 0.000 1.706 257 C CB 0.978 28.672 27.740 -0.077 0.000 2.178 257 C HN 0.349 nan 8.230 nan 0.000 0.481 258 I N 1.098 121.594 120.570 -0.123 0.000 2.471 258 I HA 0.550 4.720 4.170 0.001 0.000 0.286 258 I C -0.704 175.407 176.117 -0.010 0.000 1.079 258 I CA -0.031 61.202 61.300 -0.111 0.000 1.398 258 I CB -0.670 37.153 38.000 -0.295 0.000 1.403 258 I HN 0.672 nan 8.210 nan 0.000 0.530 259 L N 6.582 127.823 121.223 0.029 0.000 2.408 259 L HA 0.689 5.030 4.340 0.001 0.000 0.268 259 L C -0.604 176.349 176.870 0.139 0.000 0.986 259 L CA -0.931 53.934 54.840 0.041 0.000 0.820 259 L CB 2.252 44.109 42.059 -0.337 0.000 1.303 259 L HN 0.336 nan 8.230 nan 0.000 0.411 260 V N 1.524 121.593 119.914 0.259 0.000 2.487 260 V HA 0.300 4.420 4.120 0.001 0.000 0.298 260 V C -0.678 175.564 176.094 0.246 0.000 1.028 260 V CA -0.572 61.867 62.300 0.231 0.000 0.860 260 V CB 2.070 34.010 31.823 0.196 0.000 0.991 260 V HN 0.930 nan 8.190 nan 0.000 0.427 261 C N 4.698 124.114 119.300 0.193 0.000 2.258 261 C HA 0.638 5.099 4.460 0.001 0.000 0.321 261 C C 0.618 175.697 174.990 0.148 0.000 1.168 261 C CA -0.208 58.919 59.018 0.182 0.000 1.531 261 C CB -0.186 27.645 27.740 0.152 0.000 2.095 261 C HN 0.969 nan 8.230 nan 0.000 0.449 262 T N 5.444 120.086 114.554 0.147 0.000 2.929 262 T HA 0.367 4.718 4.350 0.001 0.000 0.331 262 T C -0.427 174.288 174.700 0.026 0.000 1.120 262 T CA -0.199 62.004 62.100 0.173 0.000 0.973 262 T CB -0.346 68.716 68.868 0.323 0.000 1.036 262 T HN 0.805 nan 8.240 nan 0.000 0.502 263 D N 4.086 124.473 120.400 -0.022 0.000 2.193 263 D HA 0.516 5.157 4.640 0.001 0.000 0.249 263 D C 0.108 176.340 176.300 -0.114 0.000 1.034 263 D CA -0.001 53.885 54.000 -0.189 0.000 0.902 263 D CB 1.559 42.336 40.800 -0.039 0.000 1.182 263 D HN 0.859 nan 8.370 nan 0.000 0.436 264 H N -1.711 117.457 119.070 0.164 0.000 2.950 264 H HA 0.617 5.173 4.556 0.001 0.000 0.272 264 H C -1.045 174.381 175.328 0.163 0.000 1.495 264 H CA -1.009 55.123 56.048 0.140 0.000 1.183 264 H CB 1.392 31.230 29.762 0.126 0.000 1.867 264 H HN 0.282 nan 8.280 nan 0.000 0.597 265 E N -0.934 119.470 120.200 0.340 0.000 2.392 265 E HA 0.429 4.780 4.350 0.001 0.000 0.269 265 E C -0.752 175.955 176.600 0.179 0.000 0.924 265 E CA -0.573 55.980 56.400 0.255 0.000 0.784 265 E CB 1.397 31.218 29.700 0.203 0.000 1.292 265 E HN 0.783 nan 8.360 nan 0.000 0.447 266 E N -0.062 120.227 120.200 0.149 0.000 4.289 266 E HA -0.187 4.163 4.350 0.001 0.000 0.375 266 E C 0.798 177.353 176.600 -0.075 0.000 0.624 266 E CA 0.899 57.349 56.400 0.084 0.000 1.443 266 E CB -1.328 28.437 29.700 0.108 0.000 1.807 266 E HN 0.322 nan 8.360 nan 0.000 0.378 267 V N -0.097 119.711 119.914 -0.178 0.000 2.332 267 V HA -0.210 3.911 4.120 0.001 0.000 0.248 267 V C 2.140 178.019 176.094 -0.358 0.000 1.055 267 V CA 2.310 64.422 62.300 -0.313 0.000 1.038 267 V CB -0.491 31.061 31.823 -0.453 0.000 0.651 267 V HN 0.484 nan 8.190 nan 0.000 0.450 268 G N -1.762 106.767 108.800 -0.450 0.000 3.094 268 G HA2 0.045 4.006 3.960 0.001 0.000 0.208 268 G HA3 0.045 4.006 3.960 0.001 0.000 0.208 268 G C 1.263 175.957 174.900 -0.343 0.000 1.189 268 G CA 1.056 45.939 45.100 -0.362 0.000 0.856 268 G HN 0.486 nan 8.290 nan 0.000 0.510 269 S N -2.571 112.974 115.700 -0.258 0.000 3.984 269 S HA 0.069 4.539 4.470 0.001 0.000 0.221 269 S C 1.187 175.711 174.600 -0.127 0.000 1.149 269 S CA 1.033 59.111 58.200 -0.203 0.000 0.950 269 S CB 0.195 63.295 63.200 -0.167 0.000 1.216 269 S HN 0.331 nan 8.310 nan 0.000 0.547 270 C N -0.521 118.709 119.300 -0.117 0.000 4.914 270 C HA 0.518 4.979 4.460 0.001 0.000 0.505 270 C C 1.265 176.137 174.990 -0.198 0.000 1.350 270 C CA 1.030 59.945 59.018 -0.171 0.000 2.421 270 C CB -0.202 27.415 27.740 -0.205 0.000 3.334 270 C HN 0.717 nan 8.230 nan 0.000 0.512 271 S N -0.605 115.025 115.700 -0.116 0.000 1.405 271 S HA -0.253 4.218 4.470 0.001 0.000 0.247 271 S C 0.650 175.242 174.600 -0.014 0.000 0.689 271 S CA 1.662 59.807 58.200 -0.091 0.000 1.172 271 S CB -1.520 61.609 63.200 -0.117 0.000 1.331 271 S HN 0.868 nan 8.310 nan 0.000 0.501 272 H N -0.113 118.941 119.070 -0.025 0.000 1.453 272 H HA -0.353 4.203 4.556 0.001 0.000 0.090 272 H C 1.188 176.491 175.328 -0.042 0.000 0.987 272 H CA 1.809 57.845 56.048 -0.020 0.000 1.901 272 H CB -0.689 29.071 29.762 -0.003 0.000 2.257 272 H HN 0.727 nan 8.280 nan 0.000 0.961 273 C N 1.387 120.767 119.300 0.133 0.000 2.520 273 C HA 0.381 4.841 4.460 0.001 0.000 0.369 273 C C 1.495 176.475 174.990 -0.017 0.000 1.244 273 C CA 1.050 60.075 59.018 0.013 0.000 1.677 273 C CB -1.300 26.432 27.740 -0.012 0.000 2.324 273 C HN 0.800 nan 8.230 nan 0.000 0.557 274 G N 4.062 112.803 108.800 -0.099 0.000 2.697 274 G HA2 -0.098 3.862 3.960 0.001 0.000 0.200 274 G HA3 -0.098 3.862 3.960 0.001 0.000 0.200 274 G C 0.835 175.593 174.900 -0.237 0.000 1.106 274 G CA 0.121 45.151 45.100 -0.116 0.000 0.748 274 G HN 1.346 nan 8.290 nan 0.000 0.503 275 A N -0.352 122.331 122.820 -0.227 0.000 2.343 275 A HA 0.581 4.902 4.320 0.001 0.000 0.223 275 A C 0.559 178.088 177.584 -0.092 0.000 1.214 275 A CA 1.623 53.395 52.037 -0.440 0.000 0.900 275 A CB 0.296 19.007 19.000 -0.482 0.000 0.942 275 A HN 0.587 nan 8.150 nan 0.000 0.507 276 D N -0.623 119.755 120.400 -0.038 0.000 2.472 276 D HA 0.444 5.085 4.640 0.001 0.000 0.248 276 D C -0.015 176.340 176.300 0.092 0.000 1.271 276 D CA 0.850 54.936 54.000 0.143 0.000 0.888 276 D CB 0.037 40.867 40.800 0.049 0.000 1.337 276 D HN 0.802 nan 8.370 nan 0.000 0.526 277 G N 3.042 111.898 108.800 0.093 0.000 2.850 277 G HA2 -0.080 3.881 3.960 0.001 0.000 0.686 277 G HA3 -0.080 3.881 3.960 0.001 0.000 0.686 277 G C -2.839 172.006 174.900 -0.091 0.000 1.164 277 G CA -0.870 44.259 45.100 0.048 0.000 0.826 277 G HN 0.363 nan 8.290 nan 0.000 0.586 278 P HA 0.552 nan 4.420 nan 0.000 0.297 278 P C 0.353 177.594 177.300 -0.099 0.000 1.331 278 P CA -0.806 62.275 63.100 -0.032 0.000 0.803 278 P CB 0.625 32.310 31.700 -0.024 0.000 0.929 279 F N 1.207 121.181 119.950 0.040 0.000 2.558 279 F HA 0.047 4.574 4.527 0.001 0.000 0.298 279 F C 1.068 176.900 175.800 0.054 0.000 1.119 279 F CA 0.278 58.311 58.000 0.056 0.000 1.451 279 F CB -0.298 38.745 39.000 0.072 0.000 1.091 279 F HN 0.139 nan 8.300 nan 0.000 0.563 280 L N 0.468 121.801 121.223 0.182 0.000 2.483 280 L HA 0.010 4.351 4.340 0.001 0.000 0.276 280 L C 1.264 178.099 176.870 -0.058 0.000 1.213 280 L CA 0.431 55.267 54.840 -0.006 0.000 0.843 280 L CB -0.027 41.952 42.059 -0.133 0.000 1.107 280 L HN 0.244 nan 8.230 nan 0.000 0.487 281 E N -0.487 119.641 120.200 -0.119 0.000 4.976 281 E HA -0.397 3.954 4.350 0.001 0.000 0.222 281 E C 1.481 178.068 176.600 -0.022 0.000 0.944 281 E CA 1.871 58.225 56.400 -0.077 0.000 1.778 281 E CB -0.693 28.957 29.700 -0.082 0.000 1.790 281 E HN 0.844 nan 8.360 nan 0.000 0.404 282 Q N 0.200 120.001 119.800 0.001 0.000 2.167 282 Q HA -0.061 4.280 4.340 0.001 0.000 0.202 282 Q C 2.130 178.162 176.000 0.053 0.000 0.970 282 Q CA 1.826 57.644 55.803 0.025 0.000 0.855 282 Q CB 0.282 29.036 28.738 0.026 0.000 0.911 282 Q HN 0.281 nan 8.270 nan 0.000 0.438 283 V N -0.328 119.616 119.914 0.051 0.000 2.627 283 V HA 0.005 4.126 4.120 0.001 0.000 0.239 283 V C 0.691 176.796 176.094 0.018 0.000 1.077 283 V CA 0.353 62.642 62.300 -0.018 0.000 1.103 283 V CB 0.224 31.968 31.823 -0.131 0.000 0.802 283 V HN 0.250 nan 8.190 nan 0.000 0.482 284 L N 2.148 123.414 121.223 0.071 0.000 2.397 284 L HA 0.407 4.748 4.340 0.001 0.000 0.263 284 L C 0.856 177.757 176.870 0.051 0.000 1.136 284 L CA 0.688 55.614 54.840 0.143 0.000 1.019 284 L CB 0.100 42.286 42.059 0.212 0.000 1.352 284 L HN 0.214 nan 8.230 nan 0.000 0.420 285 R N 1.810 122.357 120.500 0.078 0.000 2.472 285 R HA 0.243 4.584 4.340 0.001 0.000 0.279 285 R C -0.354 175.970 176.300 0.040 0.000 0.953 285 R CA -0.215 55.902 56.100 0.028 0.000 1.088 285 R CB 0.535 30.841 30.300 0.009 0.000 1.197 285 R HN 0.379 nan 8.270 nan 0.000 0.536 286 R N 0.161 120.714 120.500 0.088 0.000 2.534 286 R HA 0.407 4.748 4.340 0.001 0.000 0.301 286 R C -0.791 175.556 176.300 0.079 0.000 0.961 286 R CA -0.691 55.459 56.100 0.083 0.000 0.871 286 R CB 1.325 31.695 30.300 0.116 0.000 1.170 286 R HN 0.012 nan 8.270 nan 0.000 0.446 287 L N 4.134 125.388 121.223 0.050 0.000 3.181 287 L HA -0.240 4.100 4.340 0.001 0.000 0.603 287 L C -0.741 176.157 176.870 0.046 0.000 1.006 287 L CA 0.150 55.016 54.840 0.044 0.000 1.280 287 L CB -0.542 41.544 42.059 0.046 0.000 1.439 287 L HN 0.685 nan 8.230 nan 0.000 0.722 288 L N 2.545 123.785 121.223 0.029 0.000 0.735 288 L HA -0.125 4.216 4.340 0.001 0.000 0.364 288 L C -1.131 175.749 176.870 0.016 0.000 1.004 288 L CA 0.425 55.279 54.840 0.024 0.000 1.222 288 L CB -0.149 41.931 42.059 0.035 0.000 0.325 288 L HN 0.484 nan 8.230 nan 0.000 0.197 289 P HA -0.090 nan 4.420 nan 0.000 0.200 289 P C 0.370 177.640 177.300 -0.050 0.000 1.007 289 P CA 1.379 64.463 63.100 -0.028 0.000 0.916 289 P CB 0.314 31.997 31.700 -0.028 0.000 0.696 290 E N -1.766 118.408 120.200 -0.044 0.000 3.254 290 E HA 0.229 4.579 4.350 0.001 0.000 0.184 290 E C 1.202 177.805 176.600 0.006 0.000 0.967 290 E CA 0.035 56.400 56.400 -0.058 0.000 1.311 290 E CB 0.432 30.061 29.700 -0.118 0.000 1.071 290 E HN 0.277 nan 8.360 nan 0.000 0.456 291 G N 0.787 109.602 108.800 0.025 0.000 2.557 291 G HA2 -0.085 3.876 3.960 0.001 0.000 0.213 291 G HA3 -0.085 3.876 3.960 0.001 0.000 0.213 291 G C 0.950 175.888 174.900 0.062 0.000 1.221 291 G CA 0.441 45.563 45.100 0.037 0.000 0.832 291 G HN 0.021 nan 8.290 nan 0.000 0.556 292 D N 0.032 120.473 120.400 0.068 0.000 2.503 292 D HA 0.351 4.992 4.640 0.001 0.000 0.218 292 D C 2.101 178.469 176.300 0.113 0.000 1.183 292 D CA 0.381 54.431 54.000 0.082 0.000 0.827 292 D CB 1.008 41.843 40.800 0.057 0.000 1.034 292 D HN 0.244 nan 8.370 nan 0.000 0.510 293 A N 0.472 123.371 122.820 0.132 0.000 1.873 293 A HA -0.035 4.286 4.320 0.001 0.000 0.215 293 A C 1.071 178.856 177.584 0.335 0.000 1.186 293 A CA 0.824 52.972 52.037 0.185 0.000 0.616 293 A CB -0.183 18.900 19.000 0.138 0.000 0.823 293 A HN 0.044 nan 8.150 nan 0.000 0.442 294 F N -0.725 119.265 119.950 0.066 0.000 2.139 294 F HA 0.421 4.948 4.527 0.001 0.000 0.273 294 F C 2.049 177.882 175.800 0.054 0.000 1.058 294 F CA -0.492 57.547 58.000 0.065 0.000 1.149 294 F CB 0.097 39.126 39.000 0.047 0.000 1.739 294 F HN 0.345 nan 8.300 nan 0.000 0.536 295 S N -0.008 115.761 115.700 0.116 0.000 4.148 295 S HA -0.398 4.073 4.470 0.001 0.000 0.515 295 S C 1.868 176.473 174.600 0.009 0.000 1.828 295 S CA 1.962 60.183 58.200 0.036 0.000 4.202 295 S CB -1.056 62.189 63.200 0.076 0.000 0.562 295 S HN 0.645 nan 8.310 nan 0.000 0.454 296 R N 1.552 122.079 120.500 0.045 0.000 2.091 296 R HA -0.022 4.319 4.340 0.001 0.000 0.238 296 R C 2.601 178.916 176.300 0.026 0.000 1.136 296 R CA 1.621 57.740 56.100 0.033 0.000 0.959 296 R CB -0.470 29.857 30.300 0.045 0.000 0.856 296 R HN 0.602 nan 8.270 nan 0.000 0.437 297 A N 1.440 124.292 122.820 0.052 0.000 1.874 297 A HA -0.069 4.252 4.320 0.001 0.000 0.214 297 A C 2.183 179.791 177.584 0.041 0.000 1.189 297 A CA 1.077 53.157 52.037 0.072 0.000 0.615 297 A CB -0.442 18.664 19.000 0.177 0.000 0.830 297 A HN 0.408 nan 8.150 nan 0.000 0.443 298 I N -3.522 117.002 120.570 -0.076 0.000 2.676 298 I HA -0.126 4.045 4.170 0.001 0.000 0.259 298 I C 1.814 177.864 176.117 -0.112 0.000 1.194 298 I CA 1.186 62.379 61.300 -0.178 0.000 1.473 298 I CB -0.346 37.341 38.000 -0.522 0.000 1.096 298 I HN 0.093 nan 8.210 nan 0.000 0.443 299 Q N 0.939 120.692 119.800 -0.078 0.000 2.389 299 Q HA 0.062 4.403 4.340 0.001 0.000 0.204 299 Q C 1.862 177.836 176.000 -0.043 0.000 0.944 299 Q CA 0.600 56.369 55.803 -0.057 0.000 0.908 299 Q CB -0.101 28.613 28.738 -0.041 0.000 1.002 299 Q HN 0.472 nan 8.270 nan 0.000 0.493 300 R N 0.258 120.743 120.500 -0.026 0.000 2.317 300 R HA 0.208 4.549 4.340 0.001 0.000 0.208 300 R C 0.028 176.323 176.300 -0.008 0.000 0.914 300 R CA 0.056 56.144 56.100 -0.021 0.000 1.060 300 R CB 0.468 30.761 30.300 -0.011 0.000 1.015 300 R HN 0.027 nan 8.270 nan 0.000 0.498 301 S N -0.108 115.597 115.700 0.008 0.000 2.730 301 S HA 0.530 5.001 4.470 0.001 0.000 0.284 301 S C -0.479 174.144 174.600 0.039 0.000 1.153 301 S CA -0.522 57.715 58.200 0.061 0.000 0.995 301 S CB 1.911 65.176 63.200 0.109 0.000 1.058 301 S HN 0.197 nan 8.310 nan 0.000 0.552 302 L N 2.067 123.361 121.223 0.119 0.000 2.596 302 L HA 0.481 4.822 4.340 0.001 0.000 0.265 302 L C -1.686 175.299 176.870 0.192 0.000 0.962 302 L CA -0.590 54.330 54.840 0.133 0.000 0.891 302 L CB 1.359 43.547 42.059 0.216 0.000 1.248 302 L HN 0.531 nan 8.230 nan 0.000 0.410 303 L N 5.779 127.023 121.223 0.035 0.000 2.334 303 L HA 0.743 5.083 4.340 0.001 0.000 0.277 303 L C -1.060 175.720 176.870 -0.150 0.000 1.075 303 L CA 0.021 54.849 54.840 -0.021 0.000 0.804 303 L CB 1.738 43.747 42.059 -0.084 0.000 1.174 303 L HN 0.327 nan 8.230 nan 0.000 0.438 304 V N 3.315 123.102 119.914 -0.210 0.000 2.656 304 V HA 0.647 4.768 4.120 0.001 0.000 0.307 304 V C -0.452 175.493 176.094 -0.248 0.000 1.051 304 V CA -0.533 61.536 62.300 -0.386 0.000 0.893 304 V CB 2.049 33.432 31.823 -0.734 0.000 0.999 304 V HN 0.921 nan 8.190 nan 0.000 0.426 305 S N 2.424 117.974 115.700 -0.250 0.000 2.454 305 S HA 0.813 5.283 4.470 0.001 0.000 0.306 305 S C -0.145 174.354 174.600 -0.167 0.000 1.100 305 S CA -0.451 57.651 58.200 -0.163 0.000 1.087 305 S CB 1.819 64.936 63.200 -0.140 0.000 1.019 305 S HN 1.225 nan 8.310 nan 0.000 0.480 306 A N 2.555 125.315 122.820 -0.099 0.000 2.838 306 A HA 0.533 4.854 4.320 0.001 0.000 0.337 306 A C -0.026 177.442 177.584 -0.193 0.000 1.383 306 A CA -0.570 51.454 52.037 -0.021 0.000 0.985 306 A CB -0.353 18.734 19.000 0.145 0.000 1.157 306 A HN 0.863 nan 8.150 nan 0.000 0.497 307 D N 0.996 121.242 120.400 -0.257 0.000 2.446 307 D HA 0.365 5.005 4.640 0.001 0.000 0.288 307 D C -0.362 175.647 176.300 -0.486 0.000 1.195 307 D CA -0.106 53.678 54.000 -0.361 0.000 1.095 307 D CB 0.558 41.204 40.800 -0.256 0.000 1.153 307 D HN 0.372 nan 8.370 nan 0.000 0.568 308 N N -0.651 117.844 118.700 -0.341 0.000 2.549 308 N HA 0.587 5.327 4.740 0.001 0.000 0.281 308 N C -1.377 173.941 175.510 -0.319 0.000 1.084 308 N CA -0.496 52.386 53.050 -0.280 0.000 0.862 308 N CB 1.947 40.290 38.487 -0.240 0.000 1.333 308 N HN 0.422 nan 8.380 nan 0.000 0.523 309 A N 1.283 123.960 122.820 -0.239 0.000 2.304 309 A HA 0.317 4.638 4.320 0.001 0.000 0.271 309 A C 0.513 177.893 177.584 -0.340 0.000 1.091 309 A CA -0.108 51.767 52.037 -0.270 0.000 0.812 309 A CB 0.389 19.316 19.000 -0.121 0.000 1.056 309 A HN 0.746 nan 8.150 nan 0.000 0.489 310 H N 1.164 120.132 119.070 -0.171 0.000 2.284 310 H HA 0.288 4.846 4.556 0.002 0.000 0.314 310 H C 1.363 176.647 175.328 -0.073 0.000 1.058 310 H CA 1.252 57.078 56.048 -0.369 0.000 1.394 310 H CB -0.420 28.945 29.762 -0.662 0.000 1.431 310 H HN 1.318 nan 8.280 nan 0.000 0.537 311 G N 0.774 109.709 108.800 0.224 0.000 2.767 311 G HA2 -0.189 3.771 3.960 0.001 0.000 0.686 311 G HA3 -0.189 3.771 3.960 0.001 0.000 0.686 311 G C 0.013 175.272 174.900 0.598 0.000 1.213 311 G CA -0.114 45.122 45.100 0.227 0.000 0.803 311 G HN 0.535 nan 8.290 nan 0.000 0.603 312 V N 0.670 120.938 119.914 0.590 0.000 2.583 312 V HA 0.198 4.319 4.120 0.001 0.000 0.302 312 V C 1.114 177.516 176.094 0.513 0.000 1.033 312 V CA 0.075 62.765 62.300 0.649 0.000 1.194 312 V CB 0.656 32.748 31.823 0.448 0.000 0.879 312 V HN 1.002 nan 8.190 nan 0.000 0.482 313 H N 8.872 128.191 119.070 0.414 0.000 2.690 313 H HA 0.275 4.833 4.556 0.002 0.000 0.314 313 H C -1.533 173.863 175.328 0.113 0.000 1.069 313 H CA -1.851 54.312 56.048 0.192 0.000 1.436 313 H CB 2.155 31.884 29.762 -0.056 0.000 1.462 313 H HN 0.537 nan 8.280 nan 0.000 0.511 314 P HA -0.113 nan 4.420 nan 0.000 0.223 314 P C 0.462 177.825 177.300 0.105 0.000 1.144 314 P CA 1.085 64.257 63.100 0.120 0.000 0.783 314 P CB 0.698 32.425 31.700 0.046 0.000 0.771 315 N N -1.582 117.228 118.700 0.183 0.000 2.463 315 N HA 0.007 4.747 4.740 0.001 0.000 0.183 315 N C 0.095 175.349 175.510 -0.427 0.000 1.064 315 N CA 0.389 53.319 53.050 -0.199 0.000 0.879 315 N CB 0.114 38.355 38.487 -0.409 0.000 1.148 315 N HN 0.242 nan 8.380 nan 0.000 0.451 316 Y N 1.065 121.302 120.300 -0.105 0.000 2.793 316 Y HA 0.463 5.012 4.550 -0.000 0.000 0.374 316 Y C 1.222 177.124 175.900 0.003 0.000 1.135 316 Y CA -0.684 57.328 58.100 -0.148 0.000 1.451 316 Y CB 0.341 38.583 38.460 -0.364 0.000 1.541 316 Y HN 0.011 nan 8.280 nan 0.000 0.546 317 A N 0.236 123.130 122.820 0.123 0.000 2.015 317 A HA -0.139 4.181 4.320 0.001 0.000 0.219 317 A C 1.537 179.193 177.584 0.120 0.000 1.163 317 A CA 1.439 53.558 52.037 0.137 0.000 0.646 317 A CB -0.233 18.818 19.000 0.085 0.000 0.806 317 A HN 0.612 nan 8.150 nan 0.000 0.448 318 D N -1.427 119.026 120.400 0.089 0.000 2.676 318 D HA 0.058 4.699 4.640 0.001 0.000 0.239 318 D C 0.610 176.943 176.300 0.055 0.000 1.213 318 D CA -0.154 53.887 54.000 0.068 0.000 0.835 318 D CB -0.012 40.816 40.800 0.046 0.000 1.009 318 D HN 0.202 nan 8.370 nan 0.000 0.479 319 R N -0.337 120.190 120.500 0.045 0.000 2.509 319 R HA 0.226 4.566 4.340 0.001 0.000 0.297 319 R C -0.075 176.136 176.300 -0.148 0.000 0.951 319 R CA -0.122 55.940 56.100 -0.063 0.000 1.103 319 R CB 0.445 30.679 30.300 -0.110 0.000 1.283 319 R HN 0.385 nan 8.270 nan 0.000 0.534 320 H N -0.206 118.961 119.070 0.161 0.000 2.906 320 H HA 0.327 4.884 4.556 0.002 0.000 0.337 320 H C -0.867 174.544 175.328 0.139 0.000 1.257 320 H CA -0.989 55.167 56.048 0.181 0.000 1.192 320 H CB 2.039 31.939 29.762 0.230 0.000 1.912 320 H HN -0.033 nan 8.280 nan 0.000 0.573 321 D N 0.274 120.859 120.400 0.309 0.000 2.947 321 D HA 0.388 5.029 4.640 0.001 0.000 0.224 321 D C 0.517 176.848 176.300 0.051 0.000 1.230 321 D CA -0.040 54.042 54.000 0.136 0.000 0.871 321 D CB 1.927 42.788 40.800 0.101 0.000 1.671 321 D HN 0.840 nan 8.370 nan 0.000 0.507 322 A N 3.523 126.330 122.820 -0.021 0.000 4.191 322 A HA -0.395 3.925 4.320 0.001 0.000 0.361 322 A C 0.373 177.942 177.584 -0.025 0.000 1.622 322 A CA 2.221 54.219 52.037 -0.065 0.000 0.840 322 A CB -2.633 16.311 19.000 -0.094 0.000 1.507 322 A HN 0.999 nan 8.150 nan 0.000 0.562 323 N N 2.361 121.054 118.700 -0.011 0.000 2.431 323 N HA 0.477 5.217 4.740 0.001 0.000 0.265 323 N C -0.077 175.568 175.510 0.224 0.000 1.184 323 N CA 0.887 54.004 53.050 0.112 0.000 0.943 323 N CB 0.206 38.697 38.487 0.007 0.000 1.080 323 N HN 1.065 nan 8.380 nan 0.000 0.477 324 H N -0.438 118.625 119.070 -0.011 0.000 4.439 324 H HA 0.804 5.361 4.556 0.001 0.000 0.333 324 H C -0.164 175.114 175.328 -0.082 0.000 1.354 324 H CA -1.367 54.617 56.048 -0.106 0.000 0.910 324 H CB 0.671 30.413 29.762 -0.033 0.000 1.131 324 H HN 0.588 nan 8.280 nan 0.000 0.641 325 G N 1.476 110.044 108.800 -0.387 0.000 3.112 325 G HA2 0.122 4.083 3.960 0.001 0.000 0.234 325 G HA3 0.122 4.083 3.960 0.001 0.000 0.234 325 G C -3.343 171.462 174.900 -0.158 0.000 3.847 325 G CA -0.522 44.390 45.100 -0.314 0.000 0.449 325 G HN 0.440 nan 8.290 nan 0.000 0.332 326 P HA 0.444 nan 4.420 nan 0.000 0.272 326 P C 0.797 178.104 177.300 0.012 0.000 1.230 326 P CA 0.144 63.244 63.100 -0.001 0.000 0.788 326 P CB 1.002 32.713 31.700 0.019 0.000 0.949 327 A N 1.863 124.721 122.820 0.063 0.000 2.429 327 A HA 0.236 4.556 4.320 0.001 0.000 0.242 327 A C 0.517 178.146 177.584 0.075 0.000 1.088 327 A CA 0.045 52.129 52.037 0.078 0.000 0.784 327 A CB -1.057 18.001 19.000 0.097 0.000 1.038 327 A HN 0.571 nan 8.150 nan 0.000 0.501 328 L N -0.326 120.966 121.223 0.115 0.000 3.754 328 L HA -0.163 4.177 4.340 0.001 0.000 0.410 328 L C -0.334 176.601 176.870 0.109 0.000 1.230 328 L CA 0.875 55.806 54.840 0.151 0.000 0.901 328 L CB -2.259 39.867 42.059 0.111 0.000 1.982 328 L HN 0.826 nan 8.230 nan 0.000 0.822 329 N N -0.995 117.767 118.700 0.103 0.000 2.525 329 N HA 0.717 5.458 4.740 0.001 0.000 0.270 329 N C 0.383 175.881 175.510 -0.019 0.000 1.321 329 N CA 0.012 53.032 53.050 -0.051 0.000 0.797 329 N CB 1.506 39.932 38.487 -0.102 0.000 1.529 329 N HN 0.110 nan 8.380 nan 0.000 0.491 330 G N -0.941 107.702 108.800 -0.262 0.000 2.667 330 G HA2 0.348 4.309 3.960 0.001 0.000 0.250 330 G HA3 0.348 4.309 3.960 0.001 0.000 0.250 330 G C 0.375 175.272 174.900 -0.005 0.000 1.212 330 G CA -0.297 44.732 45.100 -0.118 0.000 0.874 330 G HN 0.468 nan 8.290 nan 0.000 0.561 331 G N 0.501 109.338 108.800 0.061 0.000 2.298 331 G HA2 0.424 4.384 3.960 0.001 0.000 0.263 331 G HA3 0.424 4.384 3.960 0.001 0.000 0.263 331 G C -2.431 172.522 174.900 0.089 0.000 1.229 331 G CA -0.472 44.691 45.100 0.105 0.000 0.976 331 G HN 0.419 nan 8.290 nan 0.000 0.459 332 P HA 0.154 nan 4.420 nan 0.000 0.276 332 P C 0.038 177.379 177.300 0.068 0.000 1.235 332 P CA -0.481 62.642 63.100 0.039 0.000 0.772 332 P CB 1.360 33.061 31.700 0.002 0.000 0.871 333 V N 5.747 125.718 119.914 0.096 0.000 2.381 333 V HA 0.068 4.188 4.120 0.001 0.000 0.257 333 V C 0.714 176.865 176.094 0.096 0.000 1.057 333 V CA 0.021 62.386 62.300 0.107 0.000 1.013 333 V CB -0.892 31.014 31.823 0.138 0.000 1.069 333 V HN 0.388 nan 8.190 nan 0.000 0.484 334 I N 5.567 126.178 120.570 0.068 0.000 2.396 334 I HA 0.285 4.456 4.170 0.001 0.000 0.289 334 I C 0.436 176.621 176.117 0.113 0.000 1.056 334 I CA 0.162 61.513 61.300 0.084 0.000 1.365 334 I CB 0.247 38.303 38.000 0.093 0.000 1.407 334 I HN 0.475 nan 8.210 nan 0.000 0.509 335 K N 7.938 128.373 120.400 0.059 0.000 2.559 335 K HA 0.656 4.977 4.320 0.001 0.000 0.249 335 K C -1.083 175.446 176.600 -0.118 0.000 0.958 335 K CA -0.309 56.004 56.287 0.043 0.000 0.901 335 K CB 1.679 34.264 32.500 0.141 0.000 1.124 335 K HN 0.512 nan 8.250 nan 0.000 0.437 336 I N 2.346 122.763 120.570 -0.255 0.000 2.647 336 I HA 0.258 4.429 4.170 0.001 0.000 0.295 336 I C 0.464 176.417 176.117 -0.273 0.000 1.078 336 I CA -0.608 60.444 61.300 -0.413 0.000 1.048 336 I CB 1.943 39.399 38.000 -0.906 0.000 1.239 336 I HN 0.690 nan 8.210 nan 0.000 0.421 337 N N 2.256 120.853 118.700 -0.171 0.000 2.075 337 N HA -0.036 4.705 4.740 0.001 0.000 0.226 337 N C 0.966 176.426 175.510 -0.084 0.000 1.343 337 N CA 0.140 53.130 53.050 -0.100 0.000 0.881 337 N CB 0.442 38.905 38.487 -0.041 0.000 1.100 337 N HN 0.592 nan 8.380 nan 0.000 0.495 338 S N 2.108 117.752 115.700 -0.093 0.000 2.436 338 S HA -0.053 4.417 4.470 0.001 0.000 0.208 338 S C 1.212 175.775 174.600 -0.062 0.000 1.063 338 S CA 0.898 59.062 58.200 -0.061 0.000 1.120 338 S CB -0.486 62.686 63.200 -0.047 0.000 1.053 338 S HN 0.226 nan 8.310 nan 0.000 0.407 339 N N 0.297 118.952 118.700 -0.074 0.000 2.238 339 N HA 0.334 5.075 4.740 0.001 0.000 0.235 339 N C 0.677 176.149 175.510 -0.063 0.000 1.209 339 N CA 0.010 53.027 53.050 -0.055 0.000 0.879 339 N CB 0.742 39.207 38.487 -0.038 0.000 1.136 339 N HN 0.607 nan 8.380 nan 0.000 0.517 340 Q N -0.549 119.184 119.800 -0.112 0.000 2.527 340 Q HA 0.282 4.623 4.340 0.001 0.000 0.252 340 Q C -0.442 175.509 176.000 -0.082 0.000 0.827 340 Q CA -0.333 55.412 55.803 -0.096 0.000 0.979 340 Q CB 1.068 29.686 28.738 -0.199 0.000 1.248 340 Q HN -0.012 nan 8.270 nan 0.000 0.578 341 R N 1.500 121.885 120.500 -0.192 0.000 2.728 341 R HA -0.172 4.169 4.340 0.001 0.000 0.283 341 R C -1.541 174.779 176.300 0.033 0.000 0.956 341 R CA 0.449 56.483 56.100 -0.111 0.000 0.785 341 R CB -1.539 28.737 30.300 -0.041 0.000 2.035 341 R HN 0.369 nan 8.270 nan 0.000 0.510 342 Y N 0.682 120.953 120.300 -0.049 0.000 2.286 342 Y HA 0.377 4.927 4.550 0.001 0.000 0.347 342 Y C 1.780 177.651 175.900 -0.047 0.000 1.351 342 Y CA -0.671 57.396 58.100 -0.054 0.000 1.640 342 Y CB 0.259 38.678 38.460 -0.067 0.000 1.560 342 Y HN 0.563 nan 8.280 nan 0.000 0.574 343 A N -0.112 122.788 122.820 0.132 0.000 3.656 343 A HA 0.256 4.576 4.320 0.001 0.000 0.151 343 A C 0.199 177.809 177.584 0.044 0.000 1.657 343 A CA 0.371 52.435 52.037 0.044 0.000 1.148 343 A CB -1.130 17.866 19.000 -0.006 0.000 1.569 343 A HN 0.809 nan 8.150 nan 0.000 0.709 344 T N 0.858 115.421 114.554 0.015 0.000 1.190 344 T HA -0.115 4.236 4.350 0.001 0.000 0.698 344 T C -0.196 174.524 174.700 0.034 0.000 0.975 344 T CA 0.861 62.975 62.100 0.023 0.000 3.698 344 T CB -1.818 67.074 68.868 0.039 0.000 2.099 344 T HN 1.149 nan 8.240 nan 0.000 0.381 345 N N 0.775 119.493 118.700 0.030 0.000 2.909 345 N HA 0.667 5.407 4.740 0.001 0.000 0.326 345 N C 1.419 176.958 175.510 0.049 0.000 1.368 345 N CA -0.264 52.806 53.050 0.033 0.000 0.797 345 N CB 0.064 38.563 38.487 0.019 0.000 1.150 345 N HN 0.226 nan 8.380 nan 0.000 0.550 346 S N -0.321 115.405 115.700 0.045 0.000 2.338 346 S HA -0.172 4.299 4.470 0.001 0.000 0.218 346 S C 1.167 175.814 174.600 0.077 0.000 1.032 346 S CA 1.381 59.614 58.200 0.055 0.000 0.999 346 S CB -0.857 62.368 63.200 0.041 0.000 0.905 346 S HN 0.799 nan 8.310 nan 0.000 0.439 347 E N 0.943 121.186 120.200 0.072 0.000 2.463 347 E HA 0.108 4.458 4.350 0.001 0.000 0.191 347 E C 0.620 177.296 176.600 0.127 0.000 1.083 347 E CA 0.525 56.987 56.400 0.104 0.000 0.872 347 E CB -0.294 29.441 29.700 0.058 0.000 0.966 347 E HN 0.335 nan 8.360 nan 0.000 0.491 348 T N 0.253 114.874 114.554 0.112 0.000 3.071 348 T HA 0.187 4.538 4.350 0.001 0.000 0.239 348 T C 1.937 176.744 174.700 0.178 0.000 0.997 348 T CA 0.562 62.732 62.100 0.117 0.000 1.134 348 T CB 0.157 69.050 68.868 0.041 0.000 0.928 348 T HN 0.315 nan 8.240 nan 0.000 0.453 349 A N 1.450 124.357 122.820 0.145 0.000 1.930 349 A HA 0.189 4.510 4.320 0.001 0.000 0.217 349 A C 2.455 180.148 177.584 0.181 0.000 1.175 349 A CA 1.824 53.956 52.037 0.158 0.000 0.627 349 A CB -1.231 17.838 19.000 0.116 0.000 0.815 349 A HN 0.486 nan 8.150 nan 0.000 0.443 350 G N -2.286 106.618 108.800 0.173 0.000 2.448 350 G HA2 -0.098 3.863 3.960 0.001 0.000 0.218 350 G HA3 -0.098 3.863 3.960 0.001 0.000 0.218 350 G C 1.221 176.246 174.900 0.209 0.000 1.135 350 G CA 0.797 45.992 45.100 0.158 0.000 0.784 350 G HN 0.433 nan 8.290 nan 0.000 0.543 351 F N -0.835 119.200 119.950 0.142 0.000 2.789 351 F HA 0.448 4.975 4.527 0.001 0.000 0.300 351 F C 0.459 176.407 175.800 0.247 0.000 1.132 351 F CA -0.288 57.821 58.000 0.182 0.000 1.404 351 F CB 0.426 39.526 39.000 0.166 0.000 1.114 351 F HN 0.063 nan 8.300 nan 0.000 0.584 352 F N 0.505 120.546 119.950 0.151 0.000 2.623 352 F HA 0.342 4.870 4.527 0.001 0.000 0.361 352 F C 0.868 176.683 175.800 0.024 0.000 1.469 352 F CA -0.202 57.831 58.000 0.056 0.000 1.126 352 F CB -0.190 38.818 39.000 0.014 0.000 1.221 352 F HN -0.136 nan 8.300 nan 0.000 0.536 353 R N -1.205 119.270 120.500 -0.042 0.000 3.071 353 R HA -0.000 4.340 4.340 0.001 0.000 0.138 353 R C 1.541 177.804 176.300 -0.060 0.000 0.826 353 R CA 0.235 56.302 56.100 -0.055 0.000 1.659 353 R CB -0.291 30.032 30.300 0.037 0.000 1.678 353 R HN 0.461 nan 8.270 nan 0.000 0.514 354 H N 1.160 120.153 119.070 -0.128 0.000 2.436 354 H HA 0.013 4.569 4.556 0.001 0.000 0.294 354 H C 1.658 176.873 175.328 -0.189 0.000 1.048 354 H CA 1.102 57.063 56.048 -0.146 0.000 1.353 354 H CB 0.531 30.203 29.762 -0.150 0.000 1.414 354 H HN 0.179 nan 8.280 nan 0.000 0.536 355 L N 0.864 121.889 121.223 -0.329 0.000 2.201 355 L HA -0.123 4.218 4.340 0.001 0.000 0.212 355 L C 2.532 179.177 176.870 -0.376 0.000 1.105 355 L CA 1.124 55.744 54.840 -0.367 0.000 0.775 355 L CB -1.243 40.682 42.059 -0.223 0.000 0.913 355 L HN 0.426 nan 8.230 nan 0.000 0.440 356 C N -0.353 118.701 119.300 -0.411 0.000 2.505 356 C HA -0.103 4.358 4.460 0.001 0.000 0.279 356 C C 2.792 177.640 174.990 -0.237 0.000 1.316 356 C CA 0.735 59.537 59.018 -0.361 0.000 1.720 356 C CB -0.311 27.191 27.740 -0.397 0.000 2.050 356 C HN 0.629 nan 8.230 nan 0.000 0.493 357 Q N -0.002 119.672 119.800 -0.210 0.000 2.119 357 Q HA -0.203 4.138 4.340 0.001 0.000 0.201 357 Q C 1.918 177.821 176.000 -0.162 0.000 0.972 357 Q CA 1.739 57.454 55.803 -0.147 0.000 0.847 357 Q CB -0.361 28.328 28.738 -0.082 0.000 0.903 357 Q HN 0.681 nan 8.270 nan 0.000 0.433 358 D N -0.489 119.755 120.400 -0.260 0.000 2.144 358 D HA -0.078 4.563 4.640 0.001 0.000 0.199 358 D C 0.482 176.690 176.300 -0.155 0.000 0.984 358 D CA 0.909 54.763 54.000 -0.242 0.000 0.834 358 D CB 0.208 40.779 40.800 -0.383 0.000 0.955 358 D HN 0.101 nan 8.370 nan 0.000 0.465 359 S N 0.597 116.206 115.700 -0.152 0.000 2.552 359 S HA 0.145 4.616 4.470 0.001 0.000 0.246 359 S C -0.753 173.801 174.600 -0.075 0.000 1.019 359 S CA -0.267 57.874 58.200 -0.097 0.000 1.045 359 S CB 0.487 63.634 63.200 -0.088 0.000 0.784 359 S HN 0.222 nan 8.310 nan 0.000 0.453 360 E N 0.411 120.562 120.200 -0.082 0.000 7.548 360 E HA -0.135 4.215 4.350 0.001 0.000 0.443 360 E C 0.173 176.722 176.600 -0.084 0.000 0.387 360 E CA 0.110 56.471 56.400 -0.064 0.000 0.714 360 E CB -0.626 29.058 29.700 -0.027 0.000 0.961 360 E HN 0.307 nan 8.360 nan 0.000 0.264 361 V N -0.028 119.824 119.914 -0.103 0.000 4.037 361 V HA 0.466 4.587 4.120 0.001 0.000 0.263 361 V C -1.755 174.213 176.094 -0.210 0.000 0.880 361 V CA -0.440 61.774 62.300 -0.143 0.000 0.823 361 V CB -0.422 31.327 31.823 -0.122 0.000 1.171 361 V HN 0.632 nan 8.190 nan 0.000 0.378 362 P HA 0.469 nan 4.420 nan 0.000 0.297 362 P C -0.884 176.305 177.300 -0.184 0.000 1.331 362 P CA -0.197 62.782 63.100 -0.202 0.000 0.803 362 P CB 1.421 33.003 31.700 -0.195 0.000 0.929 363 V N 4.180 124.017 119.914 -0.128 0.000 2.439 363 V HA 0.259 4.380 4.120 0.001 0.000 0.282 363 V C -0.019 176.044 176.094 -0.052 0.000 1.039 363 V CA 0.050 62.298 62.300 -0.086 0.000 0.913 363 V CB 1.046 32.818 31.823 -0.085 0.000 0.983 363 V HN 0.535 nan 8.190 nan 0.000 0.460 364 Q N 3.562 123.342 119.800 -0.033 0.000 2.823 364 Q HA 0.809 5.150 4.340 0.001 0.000 0.230 364 Q C -0.828 175.189 176.000 0.028 0.000 1.026 364 Q CA -0.619 55.169 55.803 -0.024 0.000 0.940 364 Q CB 2.101 30.795 28.738 -0.074 0.000 1.382 364 Q HN 0.937 nan 8.270 nan 0.000 0.502 365 S N -0.843 114.887 115.700 0.050 0.000 2.547 365 S HA 0.674 5.145 4.470 0.001 0.000 0.270 365 S C -0.988 173.741 174.600 0.215 0.000 1.150 365 S CA -0.791 57.483 58.200 0.123 0.000 0.850 365 S CB 1.128 64.405 63.200 0.128 0.000 1.118 365 S HN 0.688 nan 8.310 nan 0.000 0.461 366 F N -0.434 119.523 119.950 0.011 0.000 2.183 366 F HA -0.144 4.384 4.527 0.001 0.000 0.318 366 F C 0.504 176.303 175.800 -0.001 0.000 1.277 366 F CA 0.845 58.855 58.000 0.017 0.000 0.914 366 F CB -0.439 38.571 39.000 0.017 0.000 4.133 366 F HN 0.832 nan 8.300 nan 0.000 0.140 367 V N 1.008 120.790 119.914 -0.221 0.000 3.406 367 V HA 0.173 4.294 4.120 0.001 0.000 0.266 367 V C 0.132 176.304 176.094 0.131 0.000 1.697 367 V CA 1.289 63.586 62.300 -0.005 0.000 1.046 367 V CB 0.889 32.741 31.823 0.048 0.000 0.879 367 V HN 0.994 nan 8.190 nan 0.000 0.399 368 T N 0.107 114.525 114.554 -0.226 0.000 2.844 368 T HA 0.648 4.999 4.350 0.001 0.000 0.274 368 T C -0.410 174.402 174.700 0.187 0.000 0.991 368 T CA -0.467 61.585 62.100 -0.080 0.000 0.983 368 T CB 1.614 70.318 68.868 -0.274 0.000 1.310 368 T HN 0.342 nan 8.240 nan 0.000 0.596 369 R N -0.177 120.407 120.500 0.141 0.000 2.837 369 R HA 0.489 4.830 4.340 0.001 0.000 0.271 369 R C 1.220 177.603 176.300 0.138 0.000 0.993 369 R CA -0.722 55.498 56.100 0.199 0.000 0.931 369 R CB 1.592 31.966 30.300 0.123 0.000 1.206 369 R HN 0.580 nan 8.270 nan 0.000 0.474 370 S N 0.441 116.225 115.700 0.140 0.000 2.382 370 S HA -0.178 4.293 4.470 0.001 0.000 0.228 370 S C 1.150 175.778 174.600 0.047 0.000 1.027 370 S CA 1.846 60.100 58.200 0.091 0.000 0.991 370 S CB -0.112 63.133 63.200 0.074 0.000 0.823 370 S HN 0.675 nan 8.310 nan 0.000 0.469 371 D N -0.087 120.337 120.400 0.041 0.000 2.201 371 D HA 0.131 4.772 4.640 0.001 0.000 0.209 371 D C 1.104 177.410 176.300 0.010 0.000 0.961 371 D CA 0.565 54.577 54.000 0.021 0.000 0.861 371 D CB 0.088 40.899 40.800 0.019 0.000 0.997 371 D HN 0.241 nan 8.370 nan 0.000 0.486 372 M N -0.620 118.988 119.600 0.014 0.000 2.066 372 M HA 0.405 4.886 4.480 0.001 0.000 0.203 372 M C -0.099 176.192 176.300 -0.015 0.000 1.145 372 M CA 0.600 55.897 55.300 -0.005 0.000 1.084 372 M CB 0.838 33.433 32.600 -0.009 0.000 1.177 372 M HN 0.193 nan 8.290 nan 0.000 0.588 373 G N 0.622 109.406 108.800 -0.027 0.000 3.190 373 G HA2 -0.062 3.899 3.960 0.001 0.000 0.686 373 G HA3 -0.062 3.899 3.960 0.001 0.000 0.686 373 G C -1.035 173.847 174.900 -0.030 0.000 1.033 373 G CA -0.526 44.553 45.100 -0.035 0.000 0.797 373 G HN 1.295 nan 8.290 nan 0.000 0.567 374 C N 2.351 121.643 119.300 -0.012 0.000 2.686 374 C HA 1.024 5.485 4.460 0.001 0.000 0.318 374 C C 1.762 176.768 174.990 0.026 0.000 1.160 374 C CA 0.464 59.478 59.018 -0.006 0.000 1.396 374 C CB 1.282 29.009 27.740 -0.022 0.000 1.924 374 C HN 3.023 nan 8.230 nan 0.000 0.471 375 G N 2.346 111.163 108.800 0.028 0.000 2.699 375 G HA2 -0.231 3.730 3.960 0.001 0.000 0.351 375 G HA3 -0.231 3.730 3.960 0.001 0.000 0.351 375 G C 0.810 175.786 174.900 0.128 0.000 1.191 375 G CA 2.016 47.146 45.100 0.050 0.000 0.953 375 G HN 2.867 nan 8.290 nan 0.000 0.557 376 S N -0.555 115.186 115.700 0.069 0.000 3.608 376 S HA -0.124 4.347 4.470 0.001 0.000 0.382 376 S C 0.682 175.252 174.600 -0.050 0.000 0.945 376 S CA 1.736 59.947 58.200 0.020 0.000 1.256 376 S CB -1.885 61.351 63.200 0.060 0.000 0.913 376 S HN 2.499 nan 8.310 nan 0.000 0.518 377 T N 1.715 116.246 114.554 -0.039 0.000 4.309 377 T HA 0.400 4.751 4.350 0.001 0.000 0.242 377 T C 0.863 175.496 174.700 -0.111 0.000 1.142 377 T CA -0.285 61.781 62.100 -0.057 0.000 1.042 377 T CB -0.624 68.221 68.868 -0.040 0.000 1.366 377 T HN 0.775 nan 8.240 nan 0.000 0.942 378 I N 0.042 120.498 120.570 -0.189 0.000 2.483 378 I HA 0.467 4.637 4.170 0.001 0.000 0.291 378 I C 1.050 177.127 176.117 -0.067 0.000 1.112 378 I CA 0.031 61.252 61.300 -0.131 0.000 1.350 378 I CB -1.109 36.780 38.000 -0.185 0.000 1.419 378 I HN 0.641 nan 8.210 nan 0.000 0.523 379 G N 9.132 117.941 108.800 0.016 0.000 2.699 379 G HA2 -0.306 3.655 3.960 0.001 0.000 0.347 379 G HA3 -0.306 3.655 3.960 0.001 0.000 0.347 379 G C -2.158 172.731 174.900 -0.019 0.000 1.225 379 G CA 0.125 45.265 45.100 0.067 0.000 0.973 379 G HN 0.642 nan 8.290 nan 0.000 0.551 380 P HA 0.365 nan 4.420 nan 0.000 0.257 380 P C 0.411 177.656 177.300 -0.091 0.000 1.189 380 P CA 1.411 64.451 63.100 -0.100 0.000 0.780 380 P CB 0.567 32.203 31.700 -0.106 0.000 0.772 381 I N 2.260 122.782 120.570 -0.080 0.000 4.882 381 I HA -0.202 3.968 4.170 0.001 0.000 0.312 381 I C 0.975 177.071 176.117 -0.035 0.000 0.566 381 I CA 1.738 63.014 61.300 -0.041 0.000 1.552 381 I CB -0.991 37.003 38.000 -0.010 0.000 3.326 381 I HN 0.204 nan 8.210 nan 0.000 1.037 382 T N 0.471 115.000 114.554 -0.041 0.000 3.051 382 T HA 0.477 4.827 4.350 0.001 0.000 0.255 382 T C 1.490 176.179 174.700 -0.019 0.000 1.085 382 T CA 0.740 62.828 62.100 -0.021 0.000 1.109 382 T CB 0.012 68.867 68.868 -0.021 0.000 0.921 382 T HN 0.460 nan 8.240 nan 0.000 0.488 383 A N 1.362 124.123 122.820 -0.098 0.000 2.218 383 A HA 0.264 4.584 4.320 0.001 0.000 0.209 383 A C 2.207 179.638 177.584 -0.256 0.000 1.168 383 A CA 0.282 52.145 52.037 -0.289 0.000 0.804 383 A CB -0.471 18.159 19.000 -0.617 0.000 0.834 383 A HN 0.361 nan 8.150 nan 0.000 0.482 384 S N 0.053 115.668 115.700 -0.142 0.000 2.603 384 S HA -0.067 4.404 4.470 0.001 0.000 0.229 384 S C 1.632 176.192 174.600 -0.066 0.000 0.972 384 S CA 0.726 58.861 58.200 -0.107 0.000 0.935 384 S CB -0.114 63.042 63.200 -0.073 0.000 0.769 384 S HN 0.574 nan 8.310 nan 0.000 0.536 385 Q N 0.774 120.552 119.800 -0.036 0.000 2.437 385 Q HA 0.073 4.413 4.340 0.001 0.000 0.210 385 Q C 1.953 177.976 176.000 0.039 0.000 0.972 385 Q CA 0.455 56.266 55.803 0.014 0.000 0.903 385 Q CB -0.567 28.199 28.738 0.047 0.000 0.967 385 Q HN 0.376 nan 8.270 nan 0.000 0.486 386 V N -0.989 118.930 119.914 0.008 0.000 2.261 386 V HA -0.093 4.028 4.120 0.001 0.000 0.246 386 V C 1.364 177.419 176.094 -0.064 0.000 1.047 386 V CA 1.780 64.099 62.300 0.032 0.000 1.015 386 V CB -0.559 31.225 31.823 -0.065 0.000 0.642 386 V HN 0.521 nan 8.190 nan 0.000 0.446 387 G N -0.738 107.996 108.800 -0.109 0.000 2.245 387 G HA2 -0.059 3.902 3.960 0.001 0.000 0.116 387 G HA3 -0.059 3.902 3.960 0.001 0.000 0.116 387 G C -0.491 174.326 174.900 -0.139 0.000 1.054 387 G CA -0.190 44.844 45.100 -0.111 0.000 0.728 387 G HN 0.422 nan 8.290 nan 0.000 0.483 388 V N 0.276 120.110 119.914 -0.133 0.000 2.680 388 V HA 0.596 4.716 4.120 0.001 0.000 0.309 388 V C 0.744 176.785 176.094 -0.089 0.000 1.052 388 V CA -1.310 60.920 62.300 -0.117 0.000 0.908 388 V CB 1.807 33.553 31.823 -0.128 0.000 1.001 388 V HN 0.403 nan 8.190 nan 0.000 0.431 389 R N 1.615 122.070 120.500 -0.074 0.000 2.489 389 R HA 0.453 4.793 4.340 0.001 0.000 0.287 389 R C -0.428 175.828 176.300 -0.073 0.000 1.053 389 R CA 0.026 56.086 56.100 -0.066 0.000 1.036 389 R CB 0.390 30.650 30.300 -0.066 0.000 0.966 389 R HN 0.727 nan 8.270 nan 0.000 0.432 390 T N 2.293 116.801 114.554 -0.077 0.000 2.812 390 T HA 0.214 4.565 4.350 0.001 0.000 0.282 390 T C -0.238 174.389 174.700 -0.121 0.000 0.990 390 T CA -0.695 61.341 62.100 -0.106 0.000 0.960 390 T CB 1.734 70.539 68.868 -0.104 0.000 0.948 390 T HN 0.183 nan 8.240 nan 0.000 0.438 391 V N 3.761 123.553 119.914 -0.204 0.000 2.389 391 V HA 0.192 4.313 4.120 0.001 0.000 0.264 391 V C 0.442 176.368 176.094 -0.280 0.000 1.049 391 V CA -0.472 61.663 62.300 -0.274 0.000 0.932 391 V CB 0.667 32.165 31.823 -0.541 0.000 1.011 391 V HN 0.836 nan 8.190 nan 0.000 0.475 392 D N 5.541 125.840 120.400 -0.168 0.000 2.479 392 D HA 0.389 5.030 4.640 0.001 0.000 0.218 392 D C -0.176 176.043 176.300 -0.135 0.000 1.131 392 D CA -0.162 53.748 54.000 -0.151 0.000 0.916 392 D CB 0.793 41.541 40.800 -0.086 0.000 1.022 392 D HN 0.534 nan 8.370 nan 0.000 0.515 393 I N -0.157 120.300 120.570 -0.188 0.000 3.540 393 I HA 0.944 5.114 4.170 0.001 0.000 0.288 393 I C 0.713 176.774 176.117 -0.094 0.000 1.169 393 I CA -0.683 60.551 61.300 -0.110 0.000 1.038 393 I CB 1.743 39.690 38.000 -0.089 0.000 1.338 393 I HN 0.208 nan 8.210 nan 0.000 0.507 394 G N 0.095 108.882 108.800 -0.022 0.000 2.474 394 G HA2 0.549 4.510 3.960 0.001 0.000 0.234 394 G HA3 0.549 4.510 3.960 0.001 0.000 0.234 394 G C -2.000 172.964 174.900 0.106 0.000 1.204 394 G CA -0.842 44.257 45.100 -0.002 0.000 0.939 394 G HN 0.633 nan 8.290 nan 0.000 0.491 395 L N 0.946 122.237 121.223 0.113 0.000 2.431 395 L HA 0.432 4.773 4.340 0.001 0.000 0.266 395 L C -2.606 174.293 176.870 0.047 0.000 0.978 395 L CA -1.896 53.021 54.840 0.128 0.000 0.822 395 L CB 3.014 45.209 42.059 0.227 0.000 1.310 395 L HN 0.202 nan 8.230 nan 0.000 0.409 396 P HA 0.047 nan 4.420 nan 0.000 0.256 396 P C -0.998 176.336 177.300 0.057 0.000 1.189 396 P CA 0.562 63.678 63.100 0.026 0.000 0.808 396 P CB 0.283 32.004 31.700 0.033 0.000 0.793 397 T N 3.909 118.482 114.554 0.032 0.000 3.395 397 T HA 0.381 4.732 4.350 0.001 0.000 0.330 397 T C -0.968 173.792 174.700 0.101 0.000 1.076 397 T CA -0.203 61.945 62.100 0.081 0.000 1.070 397 T CB 0.439 69.346 68.868 0.064 0.000 1.119 397 T HN -0.038 nan 8.240 nan 0.000 0.462 398 F N 1.926 121.970 119.950 0.155 0.000 2.544 398 F HA 0.716 5.244 4.527 0.001 0.000 0.378 398 F C 0.861 176.769 175.800 0.181 0.000 1.112 398 F CA -0.441 57.698 58.000 0.231 0.000 1.115 398 F CB 0.917 40.072 39.000 0.258 0.000 1.436 398 F HN 0.817 nan 8.300 nan 0.000 0.496 399 A N 1.814 125.035 122.820 0.668 0.000 2.610 399 A HA -0.245 4.076 4.320 0.001 0.000 0.299 399 A C 0.166 177.913 177.584 0.272 0.000 1.487 399 A CA 0.756 53.009 52.037 0.359 0.000 0.743 399 A CB -2.381 16.772 19.000 0.254 0.000 1.070 399 A HN 0.650 nan 8.150 nan 0.000 0.439 400 M N -0.323 119.450 119.600 0.288 0.000 1.878 400 M HA 0.410 4.891 4.480 0.001 0.000 0.236 400 M C 1.478 177.939 176.300 0.270 0.000 1.315 400 M CA 1.206 56.650 55.300 0.241 0.000 0.986 400 M CB -0.043 32.686 32.600 0.214 0.000 1.324 400 M HN 0.589 nan 8.290 nan 0.000 0.474 401 H N -1.259 117.843 119.070 0.054 0.000 2.731 401 H HA -0.170 4.387 4.556 0.001 0.000 0.305 401 H C -0.309 175.035 175.328 0.026 0.000 1.132 401 H CA 0.420 56.484 56.048 0.027 0.000 1.148 401 H CB -1.148 28.618 29.762 0.006 0.000 1.379 401 H HN 0.543 nan 8.280 nan 0.000 0.398 402 S N -0.741 115.036 115.700 0.128 0.000 3.144 402 S HA 0.631 5.101 4.470 0.001 0.000 0.325 402 S C 0.333 174.970 174.600 0.062 0.000 1.161 402 S CA -0.448 57.808 58.200 0.094 0.000 0.920 402 S CB 1.294 64.563 63.200 0.114 0.000 1.340 402 S HN 0.265 nan 8.310 nan 0.000 0.681 403 I N 0.852 121.459 120.570 0.062 0.000 3.424 403 I HA 0.578 4.749 4.170 0.001 0.000 0.339 403 I C 0.092 176.230 176.117 0.036 0.000 1.549 403 I CA -0.194 61.127 61.300 0.036 0.000 1.049 403 I CB 0.180 38.202 38.000 0.035 0.000 1.439 403 I HN 0.407 nan 8.210 nan 0.000 0.500 404 R N 1.167 121.696 120.500 0.047 0.000 3.221 404 R HA 0.248 4.589 4.340 0.001 0.000 0.274 404 R C -1.560 174.782 176.300 0.071 0.000 0.909 404 R CA -0.835 55.293 56.100 0.046 0.000 0.803 404 R CB 0.484 30.813 30.300 0.048 0.000 1.513 404 R HN 0.184 nan 8.270 nan 0.000 0.491 405 E N 0.888 121.130 120.200 0.070 0.000 7.527 405 E HA -0.122 4.229 4.350 0.001 0.000 0.389 405 E C -1.925 174.740 176.600 0.108 0.000 0.568 405 E CA 0.864 57.317 56.400 0.088 0.000 1.067 405 E CB -0.226 29.537 29.700 0.104 0.000 0.942 405 E HN 0.865 nan 8.360 nan 0.000 0.262 406 L N 1.125 122.406 121.223 0.097 0.000 3.052 406 L HA 0.153 4.494 4.340 0.001 0.000 0.540 406 L C -0.788 176.154 176.870 0.119 0.000 1.001 406 L CA 2.529 57.434 54.840 0.108 0.000 1.287 406 L CB -0.852 41.283 42.059 0.127 0.000 1.312 406 L HN 1.605 nan 8.230 nan 0.000 0.637 407 A N 4.080 126.962 122.820 0.103 0.000 2.401 407 A HA 0.650 4.971 4.320 0.001 0.000 0.313 407 A C 0.252 177.894 177.584 0.097 0.000 1.013 407 A CA -0.252 51.848 52.037 0.104 0.000 1.034 407 A CB -0.239 18.822 19.000 0.101 0.000 1.324 407 A HN 1.897 nan 8.150 nan 0.000 0.366 408 G N 0.775 109.637 108.800 0.105 0.000 2.474 408 G HA2 0.413 4.374 3.960 0.001 0.000 0.233 408 G HA3 0.413 4.374 3.960 0.001 0.000 0.233 408 G C 0.725 175.688 174.900 0.105 0.000 1.278 408 G CA 0.656 45.824 45.100 0.114 0.000 0.861 408 G HN 1.586 nan 8.290 nan 0.000 0.567 409 S N 0.502 116.266 115.700 0.106 0.000 2.519 409 S HA 0.257 4.728 4.470 0.001 0.000 0.245 409 S C 0.671 175.282 174.600 0.018 0.000 1.152 409 S CA -0.367 57.865 58.200 0.053 0.000 1.175 409 S CB -0.368 62.855 63.200 0.039 0.000 0.829 409 S HN 0.762 nan 8.310 nan 0.000 0.472 410 H N -0.860 118.211 119.070 0.001 0.000 3.710 410 H HA 0.193 4.750 4.556 0.001 0.000 0.245 410 H C 0.864 176.099 175.328 -0.156 0.000 1.011 410 H CA 0.208 56.218 56.048 -0.063 0.000 1.098 410 H CB 0.390 30.178 29.762 0.045 0.000 1.406 410 H HN 0.394 nan 8.280 nan 0.000 0.657 411 D N 2.026 122.529 120.400 0.173 0.000 2.178 411 D HA -0.142 4.498 4.640 0.001 0.000 0.201 411 D C 2.063 178.401 176.300 0.064 0.000 0.980 411 D CA 1.285 55.419 54.000 0.224 0.000 0.842 411 D CB 0.048 40.947 40.800 0.165 0.000 0.948 411 D HN 0.343 nan 8.370 nan 0.000 0.472 412 L N -0.527 120.679 121.223 -0.028 0.000 2.201 412 L HA 0.154 4.495 4.340 0.001 0.000 0.212 412 L C 2.094 178.896 176.870 -0.114 0.000 1.105 412 L CA 1.510 56.302 54.840 -0.081 0.000 0.775 412 L CB -1.760 40.245 42.059 -0.089 0.000 0.913 412 L HN -0.007 nan 8.230 nan 0.000 0.440 413 A N 0.052 122.751 122.820 -0.201 0.000 2.067 413 A HA -0.112 4.209 4.320 0.001 0.000 0.217 413 A C 1.857 179.311 177.584 -0.217 0.000 1.156 413 A CA 0.972 52.867 52.037 -0.236 0.000 0.683 413 A CB -0.778 18.039 19.000 -0.305 0.000 0.808 413 A HN 0.641 nan 8.150 nan 0.000 0.455 414 H N -2.034 117.056 119.070 0.033 0.000 2.520 414 H HA 0.195 4.752 4.556 0.001 0.000 0.279 414 H C 1.750 177.078 175.328 0.000 0.000 0.990 414 H CA 0.708 56.765 56.048 0.014 0.000 1.288 414 H CB 0.160 29.931 29.762 0.015 0.000 1.446 414 H HN 0.369 nan 8.280 nan 0.000 0.538 415 L N 1.398 122.673 121.223 0.087 0.000 2.240 415 L HA -0.075 4.265 4.340 0.001 0.000 0.211 415 L C 2.153 179.030 176.870 0.012 0.000 1.106 415 L CA 0.644 55.510 54.840 0.044 0.000 0.793 415 L CB -0.103 41.946 42.059 -0.017 0.000 0.927 415 L HN 0.285 nan 8.230 nan 0.000 0.446 416 V N -2.946 116.962 119.914 -0.010 0.000 2.379 416 V HA -0.125 3.995 4.120 0.001 0.000 0.245 416 V C 1.706 177.813 176.094 0.021 0.000 1.044 416 V CA 0.907 63.203 62.300 -0.006 0.000 1.036 416 V CB -0.901 30.908 31.823 -0.024 0.000 0.664 416 V HN 0.296 nan 8.190 nan 0.000 0.453 417 K N -0.565 119.850 120.400 0.024 0.000 2.140 417 K HA 0.391 4.711 4.320 0.001 0.000 0.237 417 K C 1.050 177.665 176.600 0.025 0.000 1.045 417 K CA 0.548 56.852 56.287 0.029 0.000 0.896 417 K CB 1.303 33.821 32.500 0.030 0.000 1.122 417 K HN 0.104 nan 8.250 nan 0.000 0.503 418 V N -0.859 119.053 119.914 -0.003 0.000 0.524 418 V HA -0.447 3.673 4.120 0.001 0.000 0.092 418 V C 1.685 177.813 176.094 0.057 0.000 2.204 418 V CA 2.317 64.584 62.300 -0.054 0.000 3.556 418 V CB -1.429 30.301 31.823 -0.156 0.000 0.846 418 V HN 0.772 nan 8.190 nan 0.000 0.884 419 L N 0.489 121.772 121.223 0.100 0.000 2.156 419 L HA 0.033 4.374 4.340 0.001 0.000 0.208 419 L C 2.457 179.305 176.870 -0.037 0.000 1.095 419 L CA 1.840 56.736 54.840 0.093 0.000 0.770 419 L CB -0.648 41.410 42.059 -0.003 0.000 0.914 419 L HN 0.642 nan 8.230 nan 0.000 0.439 420 G N -0.667 108.154 108.800 0.035 0.000 2.421 420 G HA2 -0.148 3.812 3.960 0.001 0.000 0.217 420 G HA3 -0.148 3.812 3.960 0.001 0.000 0.217 420 G C 1.701 176.685 174.900 0.141 0.000 1.143 420 G CA 0.681 45.861 45.100 0.133 0.000 0.784 420 G HN 0.441 nan 8.290 nan 0.000 0.541 421 A N 0.330 123.207 122.820 0.095 0.000 2.016 421 A HA 0.223 4.544 4.320 0.001 0.000 0.217 421 A C 2.015 179.674 177.584 0.124 0.000 1.162 421 A CA 1.100 53.182 52.037 0.076 0.000 0.662 421 A CB -0.406 18.603 19.000 0.016 0.000 0.812 421 A HN 0.415 nan 8.150 nan 0.000 0.450 422 F N -0.637 119.329 119.950 0.028 0.000 2.234 422 F HA -0.104 4.424 4.527 0.002 0.000 0.299 422 F C 1.427 177.306 175.800 0.133 0.000 1.087 422 F CA 0.923 58.974 58.000 0.084 0.000 1.340 422 F CB -0.306 38.762 39.000 0.114 0.000 1.031 422 F HN 0.279 nan 8.300 nan 0.000 0.500 423 Y N 1.140 121.385 120.300 -0.092 0.000 2.665 423 Y HA 0.347 4.898 4.550 0.001 0.000 0.320 423 Y C 0.834 176.642 175.900 -0.153 0.000 1.204 423 Y CA -0.271 57.718 58.100 -0.186 0.000 1.315 423 Y CB -1.361 37.089 38.460 -0.016 0.000 1.033 423 Y HN 0.165 nan 8.280 nan 0.000 0.509 424 A N -2.120 120.702 122.820 0.003 0.000 2.593 424 A HA 0.753 5.073 4.320 0.001 0.000 0.290 424 A C 0.106 177.687 177.584 -0.005 0.000 1.126 424 A CA -0.223 51.814 52.037 0.000 0.000 0.695 424 A CB 0.844 19.860 19.000 0.026 0.000 1.290 424 A HN 0.032 nan 8.150 nan 0.000 0.414 425 S N -1.308 114.395 115.700 0.006 0.000 3.522 425 S HA 0.098 4.569 4.470 0.001 0.000 0.829 425 S C -0.037 174.597 174.600 0.057 0.000 1.219 425 S CA 0.448 58.665 58.200 0.029 0.000 1.016 425 S CB -1.133 62.086 63.200 0.032 0.000 0.587 425 S HN 2.241 nan 8.310 nan 0.000 0.357 426 S N 0.000 115.748 115.700 0.080 0.000 2.498 426 S HA 0.000 4.471 4.470 0.001 0.000 0.327 426 S CA 0.000 58.268 58.200 0.113 0.000 1.107 426 S CB 0.000 63.233 63.200 0.055 0.000 0.593 426 S HN 0.000 nan 8.310 nan 0.000 0.517